USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 47 THR OG1 : rot 87:sc= -0.331 USER MOD Set 1.2: A 49 MET CE :methyl 162:sc= -0.369 (180deg=-0.657) USER MOD Set 2.1: A 30 GLN : amide:sc= -2.01! C(o=-1.6!,f=-3!) USER MOD Set 2.2: A 32 THR OG1 : rot -130:sc= 0.4 USER MOD Single : A 1 ILE N :NH3+ 171:sc= -0.25 (180deg=-0.32) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0.701 (180deg=0.558) USER MOD Single : A 14 SER OG : rot -45:sc= 0.467 USER MOD Single : A 18 SER OG : rot -36:sc= 0.256 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 36 ASN : amide:sc= 0.0302 X(o=0.03,f=-0.35) USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= -0.536 (180deg=-2.38!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.61 (180deg=0.441) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.0149 (180deg=-0.118) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0241 (180deg=-0.176) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0582) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 70 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.083) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= -0.0472 (180deg=-0.212) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 69:sc= 0.523 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0072 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.854 20.938 23.888 1.00 74.51 N ATOM 2 CA ILE A 1 -4.887 19.456 23.873 1.00 74.31 C ATOM 3 C ILE A 1 -5.933 18.904 22.882 1.00 60.11 C ATOM 4 O ILE A 1 -6.186 17.690 22.863 1.00 14.43 O ATOM 5 CB ILE A 1 -5.080 18.865 25.339 1.00 12.12 C ATOM 6 CG1 ILE A 1 -6.286 19.509 26.130 1.00 3.14 C ATOM 7 CG2 ILE A 1 -3.765 19.003 26.147 1.00 11.31 C ATOM 8 CD1 ILE A 1 -7.686 19.032 25.735 1.00 34.35 C ATOM 0 H1 ILE A 1 -4.252 21.264 24.671 1.00 74.51 H new ATOM 0 H2 ILE A 1 -4.469 21.286 22.987 1.00 74.51 H new ATOM 0 H3 ILE A 1 -5.818 21.305 24.017 1.00 74.51 H new ATOM 0 HA ILE A 1 -3.916 19.117 23.512 1.00 74.31 H new ATOM 0 HB ILE A 1 -5.330 17.811 25.216 1.00 12.12 H new ATOM 0 HG12 ILE A 1 -6.144 19.311 27.192 1.00 3.14 H new ATOM 0 HG13 ILE A 1 -6.243 20.590 25.999 1.00 3.14 H new ATOM 0 HG21 ILE A 1 -3.908 18.596 27.148 1.00 11.31 H new ATOM 0 HG22 ILE A 1 -2.969 18.455 25.643 1.00 11.31 H new ATOM 0 HG23 ILE A 1 -3.491 20.056 26.219 1.00 11.31 H new ATOM 0 HD11 ILE A 1 -8.430 19.543 26.345 1.00 34.35 H new ATOM 0 HD12 ILE A 1 -7.863 19.256 24.683 1.00 34.35 H new ATOM 0 HD13 ILE A 1 -7.763 17.957 25.895 1.00 34.35 H new ATOM 22 N LEU A 2 -6.521 19.791 22.046 1.00 30.42 N ATOM 23 CA LEU A 2 -7.556 19.418 21.061 1.00 2.10 C ATOM 24 C LEU A 2 -6.940 18.572 19.929 1.00 50.23 C ATOM 25 O LEU A 2 -6.243 19.103 19.058 1.00 55.31 O ATOM 26 CB LEU A 2 -8.271 20.683 20.472 1.00 62.21 C ATOM 27 CG LEU A 2 -9.387 21.353 21.351 1.00 4.22 C ATOM 28 CD1 LEU A 2 -8.854 21.856 22.701 1.00 1.34 C ATOM 29 CD2 LEU A 2 -10.098 22.490 20.583 1.00 44.55 C ATOM 0 H LEU A 2 -6.289 20.784 22.037 1.00 30.42 H new ATOM 0 HA LEU A 2 -8.308 18.822 21.578 1.00 2.10 H new ATOM 0 HB2 LEU A 2 -7.510 21.434 20.263 1.00 62.21 H new ATOM 0 HB3 LEU A 2 -8.715 20.405 19.516 1.00 62.21 H new ATOM 0 HG LEU A 2 -10.118 20.574 21.568 1.00 4.22 H new ATOM 0 HD11 LEU A 2 -9.667 22.310 23.267 1.00 1.34 H new ATOM 0 HD12 LEU A 2 -8.443 21.019 23.265 1.00 1.34 H new ATOM 0 HD13 LEU A 2 -8.073 22.597 22.531 1.00 1.34 H new ATOM 0 HD21 LEU A 2 -10.865 22.934 21.218 1.00 44.55 H new ATOM 0 HD22 LEU A 2 -9.370 23.253 20.306 1.00 44.55 H new ATOM 0 HD23 LEU A 2 -10.561 22.087 19.683 1.00 44.55 H new ATOM 41 N GLU A 3 -7.174 17.250 19.997 1.00 34.21 N ATOM 42 CA GLU A 3 -6.821 16.284 18.932 1.00 14.14 C ATOM 43 C GLU A 3 -7.395 16.722 17.554 1.00 42.11 C ATOM 44 O GLU A 3 -8.576 17.081 17.447 1.00 54.25 O ATOM 45 CB GLU A 3 -7.306 14.850 19.324 1.00 55.01 C ATOM 46 CG GLU A 3 -8.804 14.742 19.724 1.00 0.01 C ATOM 47 CD GLU A 3 -9.216 13.337 20.198 1.00 54.12 C ATOM 48 OE1 GLU A 3 -8.657 12.859 21.204 1.00 52.22 O ATOM 49 OE2 GLU A 3 -10.114 12.717 19.582 1.00 65.41 O ATOM 0 H GLU A 3 -7.620 16.812 20.803 1.00 34.21 H new ATOM 0 HA GLU A 3 -5.736 16.264 18.832 1.00 14.14 H new ATOM 0 HB2 GLU A 3 -7.122 14.180 18.484 1.00 55.01 H new ATOM 0 HB3 GLU A 3 -6.698 14.493 20.156 1.00 55.01 H new ATOM 0 HG2 GLU A 3 -9.012 15.459 20.518 1.00 0.01 H new ATOM 0 HG3 GLU A 3 -9.420 15.024 18.870 1.00 0.01 H new ATOM 56 N ALA A 4 -6.540 16.702 16.516 1.00 12.20 N ATOM 57 CA ALA A 4 -6.878 17.221 15.176 1.00 71.13 C ATOM 58 C ALA A 4 -7.663 16.175 14.355 1.00 64.21 C ATOM 59 O ALA A 4 -7.293 14.993 14.320 1.00 75.21 O ATOM 60 CB ALA A 4 -5.592 17.658 14.444 1.00 35.54 C ATOM 0 H ALA A 4 -5.594 16.326 16.581 1.00 12.20 H new ATOM 0 HA ALA A 4 -7.524 18.091 15.291 1.00 71.13 H new ATOM 0 HB1 ALA A 4 -5.848 18.040 13.456 1.00 35.54 H new ATOM 0 HB2 ALA A 4 -5.095 18.440 15.018 1.00 35.54 H new ATOM 0 HB3 ALA A 4 -4.924 16.803 14.341 1.00 35.54 H new ATOM 66 N HIS A 5 -8.749 16.626 13.711 1.00 72.23 N ATOM 67 CA HIS A 5 -9.625 15.790 12.867 1.00 64.10 C ATOM 68 C HIS A 5 -9.587 16.298 11.419 1.00 22.14 C ATOM 69 O HIS A 5 -9.212 15.552 10.504 1.00 63.02 O ATOM 70 CB HIS A 5 -11.070 15.822 13.421 1.00 12.21 C ATOM 71 CG HIS A 5 -12.056 14.930 12.707 1.00 55.23 C ATOM 72 ND1 HIS A 5 -12.133 13.564 12.922 1.00 42.32 N ATOM 73 CD2 HIS A 5 -13.038 15.216 11.815 1.00 44.30 C ATOM 74 CE1 HIS A 5 -13.119 13.061 12.203 1.00 12.22 C ATOM 75 NE2 HIS A 5 -13.680 14.041 11.525 1.00 53.22 N ATOM 0 H HIS A 5 -9.051 17.599 13.761 1.00 72.23 H new ATOM 0 HA HIS A 5 -9.271 14.759 12.882 1.00 64.10 H new ATOM 0 HB2 HIS A 5 -11.044 15.538 14.473 1.00 12.21 H new ATOM 0 HB3 HIS A 5 -11.436 16.848 13.377 1.00 12.21 H new ATOM 0 HD2 HIS A 5 -13.270 16.189 11.409 1.00 44.30 H new ATOM 0 HE1 HIS A 5 -13.415 12.023 12.175 1.00 12.22 H new ATOM 0 HE2 HIS A 5 -14.468 13.941 10.885 1.00 53.22 H new ATOM 84 N TYR A 6 -9.995 17.575 11.228 1.00 54.33 N ATOM 85 CA TYR A 6 -10.048 18.217 9.900 1.00 21.44 C ATOM 86 C TYR A 6 -8.627 18.391 9.334 1.00 41.54 C ATOM 87 O TYR A 6 -8.372 18.075 8.162 1.00 43.01 O ATOM 88 CB TYR A 6 -10.789 19.584 9.970 1.00 52.10 C ATOM 89 CG TYR A 6 -12.289 19.475 10.300 1.00 42.13 C ATOM 90 CD1 TYR A 6 -13.233 19.254 9.291 1.00 54.43 C ATOM 91 CD2 TYR A 6 -12.761 19.589 11.615 1.00 12.04 C ATOM 92 CE1 TYR A 6 -14.581 19.150 9.578 1.00 72.44 C ATOM 93 CE2 TYR A 6 -14.113 19.487 11.901 1.00 61.42 C ATOM 94 CZ TYR A 6 -15.014 19.265 10.879 1.00 51.10 C ATOM 95 OH TYR A 6 -16.360 19.152 11.164 1.00 10.12 O ATOM 0 H TYR A 6 -10.295 18.184 11.989 1.00 54.33 H new ATOM 0 HA TYR A 6 -10.610 17.569 9.228 1.00 21.44 H new ATOM 0 HB2 TYR A 6 -10.307 20.207 10.724 1.00 52.10 H new ATOM 0 HB3 TYR A 6 -10.675 20.095 9.014 1.00 52.10 H new ATOM 0 HD1 TYR A 6 -12.902 19.163 8.267 1.00 54.43 H new ATOM 0 HD2 TYR A 6 -12.059 19.759 12.418 1.00 12.04 H new ATOM 0 HE1 TYR A 6 -15.292 18.979 8.784 1.00 72.44 H new ATOM 0 HE2 TYR A 6 -14.460 19.581 12.919 1.00 61.42 H new ATOM 0 HH TYR A 6 -16.500 19.256 12.128 1.00 10.12 H new ATOM 105 N THR A 7 -7.716 18.902 10.174 1.00 22.42 N ATOM 106 CA THR A 7 -6.281 18.904 9.874 1.00 34.40 C ATOM 107 C THR A 7 -5.695 17.536 10.265 1.00 41.00 C ATOM 108 O THR A 7 -6.065 16.966 11.301 1.00 34.35 O ATOM 109 CB THR A 7 -5.526 20.037 10.653 1.00 14.32 C ATOM 110 OG1 THR A 7 -5.917 20.026 12.037 1.00 10.05 O ATOM 111 CG2 THR A 7 -5.782 21.430 10.053 1.00 34.21 C ATOM 0 H THR A 7 -7.952 19.322 11.073 1.00 22.42 H new ATOM 0 HA THR A 7 -6.151 19.092 8.808 1.00 34.40 H new ATOM 0 HB THR A 7 -4.459 19.833 10.565 1.00 14.32 H new ATOM 0 HG1 THR A 7 -5.440 20.735 12.517 1.00 10.05 H new ATOM 0 HG21 THR A 7 -5.238 22.179 10.628 1.00 34.21 H new ATOM 0 HG22 THR A 7 -5.441 21.448 9.018 1.00 34.21 H new ATOM 0 HG23 THR A 7 -6.849 21.651 10.088 1.00 34.21 H new ATOM 119 N ASN A 8 -4.829 16.993 9.406 1.00 54.43 N ATOM 120 CA ASN A 8 -4.023 15.816 9.736 1.00 1.23 C ATOM 121 C ASN A 8 -2.674 16.302 10.270 1.00 24.31 C ATOM 122 O ASN A 8 -1.865 16.854 9.513 1.00 75.45 O ATOM 123 CB ASN A 8 -3.831 14.902 8.506 1.00 61.03 C ATOM 124 CG ASN A 8 -5.119 14.206 8.057 1.00 25.51 C ATOM 125 OD1 ASN A 8 -5.451 13.118 8.531 1.00 30.01 O ATOM 126 ND2 ASN A 8 -5.848 14.808 7.137 1.00 3.52 N ATOM 0 H ASN A 8 -4.667 17.355 8.466 1.00 54.43 H new ATOM 0 HA ASN A 8 -4.535 15.221 10.492 1.00 1.23 H new ATOM 0 HB2 ASN A 8 -3.441 15.496 7.679 1.00 61.03 H new ATOM 0 HB3 ASN A 8 -3.081 14.146 8.738 1.00 61.03 H new ATOM 0 HD21 ASN A 8 -6.708 14.373 6.802 1.00 3.52 H new ATOM 0 HD22 ASN A 8 -5.552 15.708 6.760 1.00 3.52 H new ATOM 133 N LEU A 9 -2.482 16.155 11.586 1.00 52.14 N ATOM 134 CA LEU A 9 -1.231 16.514 12.273 1.00 33.24 C ATOM 135 C LEU A 9 -0.108 15.589 11.768 1.00 61.13 C ATOM 136 O LEU A 9 0.983 16.046 11.406 1.00 33.53 O ATOM 137 CB LEU A 9 -1.443 16.415 13.825 1.00 72.22 C ATOM 138 CG LEU A 9 -0.354 17.052 14.775 1.00 24.03 C ATOM 139 CD1 LEU A 9 0.961 16.236 14.849 1.00 35.25 C ATOM 140 CD2 LEU A 9 -0.081 18.530 14.393 1.00 72.23 C ATOM 0 H LEU A 9 -3.195 15.780 12.212 1.00 52.14 H new ATOM 0 HA LEU A 9 -0.941 17.542 12.053 1.00 33.24 H new ATOM 0 HB2 LEU A 9 -2.401 16.880 14.059 1.00 72.22 H new ATOM 0 HB3 LEU A 9 -1.530 15.359 14.081 1.00 72.22 H new ATOM 0 HG LEU A 9 -0.775 17.023 15.780 1.00 24.03 H new ATOM 0 HD11 LEU A 9 1.661 16.734 15.520 1.00 35.25 H new ATOM 0 HD12 LEU A 9 0.748 15.235 15.225 1.00 35.25 H new ATOM 0 HD13 LEU A 9 1.401 16.164 13.854 1.00 35.25 H new ATOM 0 HD21 LEU A 9 0.672 18.946 15.062 1.00 72.23 H new ATOM 0 HD22 LEU A 9 0.279 18.580 13.365 1.00 72.23 H new ATOM 0 HD23 LEU A 9 -1.003 19.105 14.483 1.00 72.23 H new ATOM 152 N LYS A 10 -0.413 14.294 11.707 1.00 2.44 N ATOM 153 CA LYS A 10 0.519 13.265 11.220 1.00 55.23 C ATOM 154 C LYS A 10 0.213 12.912 9.753 1.00 74.42 C ATOM 155 O LYS A 10 -0.795 13.357 9.190 1.00 42.05 O ATOM 156 CB LYS A 10 0.465 11.994 12.122 1.00 21.25 C ATOM 157 CG LYS A 10 -0.915 11.288 12.191 1.00 4.41 C ATOM 158 CD LYS A 10 -0.870 9.944 12.958 1.00 65.13 C ATOM 159 CE LYS A 10 -0.014 8.874 12.252 1.00 1.20 C ATOM 160 NZ LYS A 10 -0.566 8.505 10.923 1.00 63.32 N ATOM 0 H LYS A 10 -1.318 13.922 11.995 1.00 2.44 H new ATOM 0 HA LYS A 10 1.531 13.668 11.271 1.00 55.23 H new ATOM 0 HB2 LYS A 10 1.203 11.279 11.758 1.00 21.25 H new ATOM 0 HB3 LYS A 10 0.763 12.273 13.133 1.00 21.25 H new ATOM 0 HG2 LYS A 10 -1.632 11.952 12.674 1.00 4.41 H new ATOM 0 HG3 LYS A 10 -1.277 11.110 11.178 1.00 4.41 H new ATOM 0 HD2 LYS A 10 -0.473 10.116 13.958 1.00 65.13 H new ATOM 0 HD3 LYS A 10 -1.886 9.567 13.079 1.00 65.13 H new ATOM 0 HE2 LYS A 10 1.003 9.246 12.131 1.00 1.20 H new ATOM 0 HE3 LYS A 10 0.044 7.985 12.880 1.00 1.20 H new ATOM 0 HZ1 LYS A 10 -0.053 7.681 10.551 1.00 63.32 H new ATOM 0 HZ2 LYS A 10 -1.575 8.271 11.019 1.00 63.32 H new ATOM 0 HZ3 LYS A 10 -0.457 9.305 10.268 1.00 63.32 H new ATOM 174 N CYS A 11 1.111 12.113 9.158 1.00 53.13 N ATOM 175 CA CYS A 11 1.000 11.607 7.777 1.00 60.21 C ATOM 176 C CYS A 11 -0.271 10.769 7.586 1.00 24.23 C ATOM 177 O CYS A 11 -0.745 10.127 8.536 1.00 51.20 O ATOM 178 CB CYS A 11 2.262 10.778 7.443 1.00 20.44 C ATOM 179 SG CYS A 11 2.707 9.578 8.743 1.00 52.23 S ATOM 0 H CYS A 11 1.955 11.792 9.632 1.00 53.13 H new ATOM 0 HA CYS A 11 0.928 12.454 7.094 1.00 60.21 H new ATOM 0 HB2 CYS A 11 2.099 10.244 6.507 1.00 20.44 H new ATOM 0 HB3 CYS A 11 3.101 11.456 7.282 1.00 20.44 H new ATOM 184 N ARG A 12 -0.806 10.786 6.350 1.00 64.53 N ATOM 185 CA ARG A 12 -2.081 10.136 6.014 1.00 35.34 C ATOM 186 C ARG A 12 -1.967 8.616 6.182 1.00 2.11 C ATOM 187 O ARG A 12 -1.143 7.959 5.539 1.00 52.34 O ATOM 188 CB ARG A 12 -2.527 10.543 4.578 1.00 40.54 C ATOM 189 CG ARG A 12 -3.677 9.719 3.959 1.00 53.11 C ATOM 190 CD ARG A 12 -4.272 10.382 2.698 1.00 62.54 C ATOM 191 NE ARG A 12 -3.243 10.932 1.784 1.00 25.51 N ATOM 192 CZ ARG A 12 -3.507 11.668 0.688 1.00 23.25 C ATOM 193 NH1 ARG A 12 -4.758 11.944 0.324 1.00 33.21 N ATOM 194 NH2 ARG A 12 -2.506 12.184 -0.024 1.00 0.42 N ATOM 0 H ARG A 12 -0.364 11.252 5.558 1.00 64.53 H new ATOM 0 HA ARG A 12 -2.854 10.476 6.703 1.00 35.34 H new ATOM 0 HB2 ARG A 12 -2.829 11.590 4.597 1.00 40.54 H new ATOM 0 HB3 ARG A 12 -1.662 10.473 3.918 1.00 40.54 H new ATOM 0 HG2 ARG A 12 -3.310 8.725 3.703 1.00 53.11 H new ATOM 0 HG3 ARG A 12 -4.464 9.587 4.701 1.00 53.11 H new ATOM 0 HD2 ARG A 12 -4.872 9.649 2.159 1.00 62.54 H new ATOM 0 HD3 ARG A 12 -4.945 11.184 3.001 1.00 62.54 H new ATOM 0 HE ARG A 12 -2.265 10.739 2.001 1.00 25.51 H new ATOM 0 HH11 ARG A 12 -5.539 11.596 0.880 1.00 33.21 H new ATOM 0 HH12 ARG A 12 -4.935 12.504 -0.510 1.00 33.21 H new ATOM 0 HH21 ARG A 12 -1.540 12.021 0.261 1.00 0.42 H new ATOM 0 HH22 ARG A 12 -2.705 12.742 -0.854 1.00 0.42 H new ATOM 208 N CYS A 13 -2.794 8.094 7.088 1.00 13.32 N ATOM 209 CA CYS A 13 -2.850 6.681 7.428 1.00 44.41 C ATOM 210 C CYS A 13 -4.305 6.335 7.768 1.00 12.21 C ATOM 211 O CYS A 13 -4.826 6.740 8.814 1.00 40.13 O ATOM 212 CB CYS A 13 -1.897 6.393 8.609 1.00 11.31 C ATOM 213 SG CYS A 13 -1.694 4.636 9.043 1.00 15.21 S ATOM 0 H CYS A 13 -3.458 8.660 7.616 1.00 13.32 H new ATOM 0 HA CYS A 13 -2.525 6.060 6.593 1.00 44.41 H new ATOM 0 HB2 CYS A 13 -0.917 6.806 8.371 1.00 11.31 H new ATOM 0 HB3 CYS A 13 -2.263 6.926 9.487 1.00 11.31 H new ATOM 218 N SER A 14 -4.963 5.608 6.856 1.00 11.22 N ATOM 219 CA SER A 14 -6.399 5.273 6.942 1.00 53.11 C ATOM 220 C SER A 14 -6.625 3.982 7.773 1.00 33.15 C ATOM 221 O SER A 14 -7.482 3.139 7.446 1.00 5.24 O ATOM 222 CB SER A 14 -6.936 5.140 5.494 1.00 4.53 C ATOM 223 OG SER A 14 -8.330 4.884 5.451 1.00 22.33 O ATOM 0 H SER A 14 -4.511 5.228 6.024 1.00 11.22 H new ATOM 0 HA SER A 14 -6.946 6.060 7.462 1.00 53.11 H new ATOM 0 HB2 SER A 14 -6.722 6.057 4.945 1.00 4.53 H new ATOM 0 HB3 SER A 14 -6.406 4.334 4.987 1.00 4.53 H new ATOM 0 HG SER A 14 -8.557 4.196 6.111 1.00 22.33 H new ATOM 229 N GLY A 15 -5.861 3.853 8.879 1.00 74.42 N ATOM 230 CA GLY A 15 -5.860 2.651 9.707 1.00 12.10 C ATOM 231 C GLY A 15 -5.114 1.494 9.047 1.00 32.42 C ATOM 232 O GLY A 15 -4.891 1.492 7.829 1.00 45.41 O ATOM 0 H GLY A 15 -5.233 4.583 9.213 1.00 74.42 H new ATOM 0 HA2 GLY A 15 -5.400 2.876 10.669 1.00 12.10 H new ATOM 0 HA3 GLY A 15 -6.888 2.350 9.908 1.00 12.10 H new ATOM 236 N VAL A 16 -4.803 0.461 9.835 1.00 52.43 N ATOM 237 CA VAL A 16 -4.008 -0.695 9.370 1.00 11.22 C ATOM 238 C VAL A 16 -4.952 -1.860 9.041 1.00 72.11 C ATOM 239 O VAL A 16 -6.150 -1.811 9.360 1.00 14.55 O ATOM 240 CB VAL A 16 -2.942 -1.143 10.455 1.00 54.52 C ATOM 241 CG1 VAL A 16 -2.004 0.029 10.842 1.00 31.44 C ATOM 242 CG2 VAL A 16 -3.607 -1.768 11.713 1.00 72.43 C ATOM 0 H VAL A 16 -5.091 0.396 10.811 1.00 52.43 H new ATOM 0 HA VAL A 16 -3.460 -0.399 8.475 1.00 11.22 H new ATOM 0 HB VAL A 16 -2.335 -1.923 9.996 1.00 54.52 H new ATOM 0 HG11 VAL A 16 -1.285 -0.311 11.587 1.00 31.44 H new ATOM 0 HG12 VAL A 16 -1.472 0.377 9.957 1.00 31.44 H new ATOM 0 HG13 VAL A 16 -2.595 0.847 11.254 1.00 31.44 H new ATOM 0 HG21 VAL A 16 -2.835 -2.058 12.426 1.00 72.43 H new ATOM 0 HG22 VAL A 16 -4.271 -1.037 12.175 1.00 72.43 H new ATOM 0 HG23 VAL A 16 -4.182 -2.647 11.422 1.00 72.43 H new ATOM 252 N ILE A 17 -4.416 -2.897 8.387 1.00 71.41 N ATOM 253 CA ILE A 17 -5.189 -4.084 7.991 1.00 32.24 C ATOM 254 C ILE A 17 -4.614 -5.336 8.665 1.00 52.40 C ATOM 255 O ILE A 17 -3.401 -5.475 8.805 1.00 44.33 O ATOM 256 CB ILE A 17 -5.310 -4.242 6.401 1.00 44.02 C ATOM 257 CG1 ILE A 17 -3.993 -3.876 5.613 1.00 60.15 C ATOM 258 CG2 ILE A 17 -6.493 -3.394 5.869 1.00 53.44 C ATOM 259 CD1 ILE A 17 -2.838 -4.859 5.728 1.00 61.34 C ATOM 0 H ILE A 17 -3.433 -2.939 8.116 1.00 71.41 H new ATOM 0 HA ILE A 17 -6.212 -3.950 8.343 1.00 32.24 H new ATOM 0 HB ILE A 17 -5.487 -5.302 6.220 1.00 44.02 H new ATOM 0 HG12 ILE A 17 -4.245 -3.768 4.558 1.00 60.15 H new ATOM 0 HG13 ILE A 17 -3.648 -2.902 5.959 1.00 60.15 H new ATOM 0 HG21 ILE A 17 -6.566 -3.509 4.788 1.00 53.44 H new ATOM 0 HG22 ILE A 17 -7.420 -3.731 6.333 1.00 53.44 H new ATOM 0 HG23 ILE A 17 -6.327 -2.345 6.112 1.00 53.44 H new ATOM 0 HD11 ILE A 17 -1.992 -4.497 5.143 1.00 61.34 H new ATOM 0 HD12 ILE A 17 -2.543 -4.953 6.773 1.00 61.34 H new ATOM 0 HD13 ILE A 17 -3.150 -5.833 5.350 1.00 61.34 H new ATOM 271 N SER A 18 -5.514 -6.204 9.146 1.00 14.41 N ATOM 272 CA SER A 18 -5.167 -7.527 9.686 1.00 0.14 C ATOM 273 C SER A 18 -5.392 -8.605 8.603 1.00 71.14 C ATOM 274 O SER A 18 -5.265 -9.802 8.870 1.00 52.24 O ATOM 275 CB SER A 18 -6.016 -7.803 10.960 1.00 73.23 C ATOM 276 OG SER A 18 -5.597 -8.984 11.641 1.00 14.13 O ATOM 0 H SER A 18 -6.514 -6.006 9.172 1.00 14.41 H new ATOM 0 HA SER A 18 -4.115 -7.555 9.969 1.00 0.14 H new ATOM 0 HB2 SER A 18 -5.942 -6.951 11.635 1.00 73.23 H new ATOM 0 HB3 SER A 18 -7.065 -7.899 10.681 1.00 73.23 H new ATOM 0 HG SER A 18 -5.328 -9.661 10.986 1.00 14.13 H new ATOM 282 N THR A 19 -5.702 -8.163 7.371 1.00 44.20 N ATOM 283 CA THR A 19 -5.911 -9.032 6.211 1.00 40.23 C ATOM 284 C THR A 19 -4.867 -8.702 5.136 1.00 45.20 C ATOM 285 O THR A 19 -4.696 -7.526 4.789 1.00 11.01 O ATOM 286 CB THR A 19 -7.347 -8.815 5.625 1.00 55.15 C ATOM 287 OG1 THR A 19 -8.330 -8.971 6.660 1.00 5.13 O ATOM 288 CG2 THR A 19 -7.673 -9.783 4.466 1.00 52.21 C ATOM 0 H THR A 19 -5.815 -7.173 7.155 1.00 44.20 H new ATOM 0 HA THR A 19 -5.808 -10.072 6.521 1.00 40.23 H new ATOM 0 HB THR A 19 -7.372 -7.801 5.225 1.00 55.15 H new ATOM 0 HG1 THR A 19 -9.225 -8.832 6.285 1.00 5.13 H new ATOM 0 HG21 THR A 19 -8.681 -9.586 4.100 1.00 52.21 H new ATOM 0 HG22 THR A 19 -6.958 -9.636 3.657 1.00 52.21 H new ATOM 0 HG23 THR A 19 -7.611 -10.811 4.822 1.00 52.21 H new ATOM 296 N VAL A 20 -4.159 -9.732 4.632 1.00 74.20 N ATOM 297 CA VAL A 20 -3.278 -9.588 3.461 1.00 21.31 C ATOM 298 C VAL A 20 -4.139 -9.255 2.214 1.00 44.45 C ATOM 299 O VAL A 20 -5.135 -9.939 1.929 1.00 31.01 O ATOM 300 CB VAL A 20 -2.370 -10.871 3.210 1.00 73.21 C ATOM 301 CG1 VAL A 20 -3.181 -12.149 2.851 1.00 12.22 C ATOM 302 CG2 VAL A 20 -1.287 -10.581 2.137 1.00 2.23 C ATOM 0 H VAL A 20 -4.182 -10.675 5.021 1.00 74.20 H new ATOM 0 HA VAL A 20 -2.586 -8.769 3.658 1.00 21.31 H new ATOM 0 HB VAL A 20 -1.880 -11.084 4.160 1.00 73.21 H new ATOM 0 HG11 VAL A 20 -2.496 -12.982 2.694 1.00 12.22 H new ATOM 0 HG12 VAL A 20 -3.863 -12.388 3.667 1.00 12.22 H new ATOM 0 HG13 VAL A 20 -3.753 -11.973 1.940 1.00 12.22 H new ATOM 0 HG21 VAL A 20 -0.679 -11.473 1.983 1.00 2.23 H new ATOM 0 HG22 VAL A 20 -1.769 -10.304 1.199 1.00 2.23 H new ATOM 0 HG23 VAL A 20 -0.651 -9.762 2.474 1.00 2.23 H new ATOM 312 N VAL A 21 -3.783 -8.171 1.514 1.00 34.43 N ATOM 313 CA VAL A 21 -4.558 -7.673 0.367 1.00 71.50 C ATOM 314 C VAL A 21 -4.145 -8.426 -0.925 1.00 63.20 C ATOM 315 O VAL A 21 -2.969 -8.783 -1.100 1.00 53.41 O ATOM 316 CB VAL A 21 -4.382 -6.116 0.208 1.00 22.51 C ATOM 317 CG1 VAL A 21 -2.930 -5.742 -0.153 1.00 64.54 C ATOM 318 CG2 VAL A 21 -5.399 -5.524 -0.800 1.00 62.21 C ATOM 0 H VAL A 21 -2.954 -7.615 1.724 1.00 34.43 H new ATOM 0 HA VAL A 21 -5.616 -7.866 0.547 1.00 71.50 H new ATOM 0 HB VAL A 21 -4.596 -5.666 1.177 1.00 22.51 H new ATOM 0 HG11 VAL A 21 -2.847 -4.660 -0.254 1.00 64.54 H new ATOM 0 HG12 VAL A 21 -2.259 -6.085 0.635 1.00 64.54 H new ATOM 0 HG13 VAL A 21 -2.656 -6.217 -1.095 1.00 64.54 H new ATOM 0 HG21 VAL A 21 -5.246 -4.448 -0.882 1.00 62.21 H new ATOM 0 HG22 VAL A 21 -5.255 -5.987 -1.776 1.00 62.21 H new ATOM 0 HG23 VAL A 21 -6.413 -5.720 -0.452 1.00 62.21 H new ATOM 328 N GLY A 22 -5.134 -8.710 -1.790 1.00 30.15 N ATOM 329 CA GLY A 22 -4.901 -9.383 -3.065 1.00 1.03 C ATOM 330 C GLY A 22 -4.377 -8.434 -4.133 1.00 41.01 C ATOM 331 O GLY A 22 -4.904 -7.327 -4.287 1.00 35.30 O ATOM 0 H GLY A 22 -6.112 -8.477 -1.619 1.00 30.15 H new ATOM 0 HA2 GLY A 22 -4.186 -10.193 -2.920 1.00 1.03 H new ATOM 0 HA3 GLY A 22 -5.831 -9.836 -3.409 1.00 1.03 H new ATOM 335 N LEU A 23 -3.350 -8.886 -4.890 1.00 72.02 N ATOM 336 CA LEU A 23 -2.753 -8.111 -6.004 1.00 63.24 C ATOM 337 C LEU A 23 -3.833 -7.779 -7.052 1.00 1.23 C ATOM 338 O LEU A 23 -3.829 -6.694 -7.634 1.00 61.32 O ATOM 339 CB LEU A 23 -1.541 -8.886 -6.628 1.00 35.21 C ATOM 340 CG LEU A 23 -0.617 -8.100 -7.656 1.00 1.32 C ATOM 341 CD1 LEU A 23 0.823 -8.665 -7.665 1.00 71.20 C ATOM 342 CD2 LEU A 23 -1.182 -8.096 -9.104 1.00 12.20 C ATOM 0 H LEU A 23 -2.912 -9.796 -4.746 1.00 72.02 H new ATOM 0 HA LEU A 23 -2.364 -7.168 -5.620 1.00 63.24 H new ATOM 0 HB2 LEU A 23 -0.911 -9.239 -5.811 1.00 35.21 H new ATOM 0 HB3 LEU A 23 -1.931 -9.769 -7.134 1.00 35.21 H new ATOM 0 HG LEU A 23 -0.600 -7.068 -7.306 1.00 1.32 H new ATOM 0 HD11 LEU A 23 1.429 -8.106 -8.378 1.00 71.20 H new ATOM 0 HD12 LEU A 23 1.256 -8.572 -6.669 1.00 71.20 H new ATOM 0 HD13 LEU A 23 0.800 -9.716 -7.954 1.00 71.20 H new ATOM 0 HD21 LEU A 23 -0.506 -7.544 -9.757 1.00 12.20 H new ATOM 0 HD22 LEU A 23 -1.275 -9.122 -9.461 1.00 12.20 H new ATOM 0 HD23 LEU A 23 -2.162 -7.620 -9.111 1.00 12.20 H new ATOM 354 N ASN A 24 -4.782 -8.717 -7.219 1.00 22.50 N ATOM 355 CA ASN A 24 -5.912 -8.597 -8.157 1.00 0.25 C ATOM 356 C ASN A 24 -6.840 -7.404 -7.811 1.00 54.30 C ATOM 357 O ASN A 24 -7.400 -6.778 -8.714 1.00 51.34 O ATOM 358 CB ASN A 24 -6.723 -9.927 -8.158 1.00 52.34 C ATOM 359 CG ASN A 24 -7.826 -9.993 -9.228 1.00 3.25 C ATOM 360 OD1 ASN A 24 -7.687 -9.448 -10.323 1.00 10.52 O ATOM 361 ND2 ASN A 24 -8.926 -10.656 -8.920 1.00 2.24 N ATOM 0 H ASN A 24 -4.785 -9.594 -6.698 1.00 22.50 H new ATOM 0 HA ASN A 24 -5.505 -8.405 -9.150 1.00 0.25 H new ATOM 0 HB2 ASN A 24 -6.035 -10.759 -8.310 1.00 52.34 H new ATOM 0 HB3 ASN A 24 -7.176 -10.064 -7.176 1.00 52.34 H new ATOM 0 HD21 ASN A 24 -9.686 -10.726 -9.597 1.00 2.24 H new ATOM 0 HD22 ASN A 24 -9.016 -11.098 -8.005 1.00 2.24 H new ATOM 368 N ILE A 25 -6.979 -7.080 -6.500 1.00 51.43 N ATOM 369 CA ILE A 25 -7.934 -6.039 -6.035 1.00 62.33 C ATOM 370 C ILE A 25 -7.234 -4.680 -5.793 1.00 21.32 C ATOM 371 O ILE A 25 -7.882 -3.732 -5.353 1.00 15.11 O ATOM 372 CB ILE A 25 -8.760 -6.492 -4.749 1.00 61.11 C ATOM 373 CG1 ILE A 25 -7.864 -6.599 -3.474 1.00 44.32 C ATOM 374 CG2 ILE A 25 -9.495 -7.831 -5.014 1.00 22.35 C ATOM 375 CD1 ILE A 25 -8.585 -7.029 -2.197 1.00 71.01 C ATOM 0 H ILE A 25 -6.446 -7.521 -5.750 1.00 51.43 H new ATOM 0 HA ILE A 25 -8.652 -5.907 -6.845 1.00 62.33 H new ATOM 0 HB ILE A 25 -9.500 -5.715 -4.556 1.00 61.11 H new ATOM 0 HG12 ILE A 25 -7.061 -7.309 -3.674 1.00 44.32 H new ATOM 0 HG13 ILE A 25 -7.396 -5.630 -3.298 1.00 44.32 H new ATOM 0 HG21 ILE A 25 -10.053 -8.122 -4.124 1.00 22.35 H new ATOM 0 HG22 ILE A 25 -10.184 -7.709 -5.850 1.00 22.35 H new ATOM 0 HG23 ILE A 25 -8.766 -8.605 -5.255 1.00 22.35 H new ATOM 0 HD11 ILE A 25 -7.872 -7.071 -1.373 1.00 71.01 H new ATOM 0 HD12 ILE A 25 -9.369 -6.309 -1.962 1.00 71.01 H new ATOM 0 HD13 ILE A 25 -9.029 -8.014 -2.344 1.00 71.01 H new ATOM 387 N ILE A 26 -5.919 -4.586 -6.106 1.00 32.14 N ATOM 388 CA ILE A 26 -5.157 -3.310 -6.038 1.00 74.21 C ATOM 389 C ILE A 26 -5.551 -2.414 -7.232 1.00 44.44 C ATOM 390 O ILE A 26 -5.733 -2.918 -8.341 1.00 62.34 O ATOM 391 CB ILE A 26 -3.588 -3.561 -6.083 1.00 74.35 C ATOM 392 CG1 ILE A 26 -3.120 -4.547 -4.962 1.00 32.34 C ATOM 393 CG2 ILE A 26 -2.777 -2.232 -6.022 1.00 32.21 C ATOM 394 CD1 ILE A 26 -3.262 -4.046 -3.544 1.00 62.34 C ATOM 0 H ILE A 26 -5.359 -5.382 -6.410 1.00 32.14 H new ATOM 0 HA ILE A 26 -5.402 -2.825 -5.093 1.00 74.21 H new ATOM 0 HB ILE A 26 -3.382 -4.029 -7.046 1.00 74.35 H new ATOM 0 HG12 ILE A 26 -3.687 -5.473 -5.059 1.00 32.34 H new ATOM 0 HG13 ILE A 26 -2.073 -4.795 -5.136 1.00 32.34 H new ATOM 0 HG21 ILE A 26 -1.711 -2.455 -6.056 1.00 32.21 H new ATOM 0 HG22 ILE A 26 -3.043 -1.604 -6.872 1.00 32.21 H new ATOM 0 HG23 ILE A 26 -3.009 -1.706 -5.096 1.00 32.21 H new ATOM 0 HD11 ILE A 26 -2.908 -4.809 -2.851 1.00 62.34 H new ATOM 0 HD12 ILE A 26 -2.671 -3.139 -3.418 1.00 62.34 H new ATOM 0 HD13 ILE A 26 -4.310 -3.827 -3.339 1.00 62.34 H new ATOM 406 N ASP A 27 -5.681 -1.094 -7.010 1.00 53.51 N ATOM 407 CA ASP A 27 -5.896 -0.118 -8.107 1.00 14.21 C ATOM 408 C ASP A 27 -4.632 0.735 -8.300 1.00 51.43 C ATOM 409 O ASP A 27 -4.031 0.736 -9.379 1.00 41.03 O ATOM 410 CB ASP A 27 -7.122 0.787 -7.812 1.00 31.53 C ATOM 411 CG ASP A 27 -7.415 1.801 -8.934 1.00 1.20 C ATOM 412 OD1 ASP A 27 -7.284 3.021 -8.724 1.00 22.33 O ATOM 413 OD2 ASP A 27 -7.773 1.368 -10.044 1.00 44.32 O ATOM 0 H ASP A 27 -5.642 -0.673 -6.082 1.00 53.51 H new ATOM 0 HA ASP A 27 -6.099 -0.667 -9.026 1.00 14.21 H new ATOM 0 HB2 ASP A 27 -8.000 0.159 -7.661 1.00 31.53 H new ATOM 0 HB3 ASP A 27 -6.951 1.326 -6.880 1.00 31.53 H new ATOM 418 N ARG A 28 -4.211 1.426 -7.225 1.00 62.00 N ATOM 419 CA ARG A 28 -3.002 2.279 -7.210 1.00 72.23 C ATOM 420 C ARG A 28 -2.348 2.212 -5.820 1.00 13.41 C ATOM 421 O ARG A 28 -3.038 2.119 -4.806 1.00 33.15 O ATOM 422 CB ARG A 28 -3.346 3.771 -7.575 1.00 75.23 C ATOM 423 CG ARG A 28 -3.754 4.026 -9.052 1.00 42.41 C ATOM 424 CD ARG A 28 -2.619 3.755 -10.068 1.00 21.54 C ATOM 425 NE ARG A 28 -3.053 3.967 -11.463 1.00 31.25 N ATOM 426 CZ ARG A 28 -2.239 4.015 -12.533 1.00 23.42 C ATOM 427 NH1 ARG A 28 -0.920 3.862 -12.406 1.00 50.44 N ATOM 428 NH2 ARG A 28 -2.756 4.214 -13.743 1.00 3.52 N ATOM 0 H ARG A 28 -4.703 1.410 -6.332 1.00 62.00 H new ATOM 0 HA ARG A 28 -2.308 1.906 -7.963 1.00 72.23 H new ATOM 0 HB2 ARG A 28 -4.158 4.105 -6.930 1.00 75.23 H new ATOM 0 HB3 ARG A 28 -2.480 4.391 -7.344 1.00 75.23 H new ATOM 0 HG2 ARG A 28 -4.608 3.394 -9.298 1.00 42.41 H new ATOM 0 HG3 ARG A 28 -4.082 5.060 -9.155 1.00 42.41 H new ATOM 0 HD2 ARG A 28 -1.775 4.409 -9.849 1.00 21.54 H new ATOM 0 HD3 ARG A 28 -2.267 2.730 -9.951 1.00 21.54 H new ATOM 0 HE ARG A 28 -4.052 4.087 -11.629 1.00 31.25 H new ATOM 0 HH11 ARG A 28 -0.511 3.705 -11.485 1.00 50.44 H new ATOM 0 HH12 ARG A 28 -0.320 3.902 -13.230 1.00 50.44 H new ATOM 0 HH21 ARG A 28 -3.763 4.329 -13.855 1.00 3.52 H new ATOM 0 HH22 ARG A 28 -2.145 4.252 -14.559 1.00 3.52 H new ATOM 442 N ILE A 29 -1.007 2.253 -5.790 1.00 3.04 N ATOM 443 CA ILE A 29 -0.207 2.289 -4.556 1.00 12.22 C ATOM 444 C ILE A 29 0.385 3.690 -4.411 1.00 33.03 C ATOM 445 O ILE A 29 1.261 4.082 -5.199 1.00 13.21 O ATOM 446 CB ILE A 29 0.937 1.194 -4.592 1.00 43.35 C ATOM 447 CG1 ILE A 29 0.307 -0.235 -4.609 1.00 11.41 C ATOM 448 CG2 ILE A 29 1.968 1.358 -3.431 1.00 20.24 C ATOM 449 CD1 ILE A 29 1.292 -1.377 -4.719 1.00 73.14 C ATOM 0 H ILE A 29 -0.439 2.262 -6.637 1.00 3.04 H new ATOM 0 HA ILE A 29 -0.840 2.064 -3.698 1.00 12.22 H new ATOM 0 HB ILE A 29 1.504 1.338 -5.512 1.00 43.35 H new ATOM 0 HG12 ILE A 29 -0.276 -0.367 -3.698 1.00 11.41 H new ATOM 0 HG13 ILE A 29 -0.390 -0.297 -5.445 1.00 11.41 H new ATOM 0 HG21 ILE A 29 2.728 0.580 -3.507 1.00 20.24 H new ATOM 0 HG22 ILE A 29 2.442 2.337 -3.501 1.00 20.24 H new ATOM 0 HG23 ILE A 29 1.455 1.271 -2.473 1.00 20.24 H new ATOM 0 HD11 ILE A 29 0.752 -2.324 -4.722 1.00 73.14 H new ATOM 0 HD12 ILE A 29 1.860 -1.280 -5.644 1.00 73.14 H new ATOM 0 HD13 ILE A 29 1.975 -1.352 -3.870 1.00 73.14 H new ATOM 461 N GLN A 30 -0.114 4.462 -3.436 1.00 40.33 N ATOM 462 CA GLN A 30 0.361 5.825 -3.183 1.00 50.32 C ATOM 463 C GLN A 30 1.467 5.767 -2.118 1.00 10.44 C ATOM 464 O GLN A 30 1.281 5.182 -1.042 1.00 60.32 O ATOM 465 CB GLN A 30 -0.794 6.737 -2.698 1.00 13.42 C ATOM 466 CG GLN A 30 -0.376 8.202 -2.404 1.00 74.33 C ATOM 467 CD GLN A 30 -1.372 8.963 -1.528 1.00 53.51 C ATOM 468 OE1 GLN A 30 -2.579 8.719 -1.559 1.00 53.24 O ATOM 469 NE2 GLN A 30 -0.873 9.896 -0.740 1.00 21.21 N ATOM 0 H GLN A 30 -0.855 4.159 -2.804 1.00 40.33 H new ATOM 0 HA GLN A 30 0.750 6.247 -4.110 1.00 50.32 H new ATOM 0 HB2 GLN A 30 -1.579 6.741 -3.454 1.00 13.42 H new ATOM 0 HB3 GLN A 30 -1.225 6.307 -1.794 1.00 13.42 H new ATOM 0 HG2 GLN A 30 0.598 8.201 -1.914 1.00 74.33 H new ATOM 0 HG3 GLN A 30 -0.257 8.733 -3.349 1.00 74.33 H new ATOM 0 HE21 GLN A 30 0.131 10.076 -0.735 1.00 21.21 H new ATOM 0 HE22 GLN A 30 -1.491 10.437 -0.135 1.00 21.21 H new ATOM 478 N VAL A 31 2.613 6.366 -2.443 1.00 13.30 N ATOM 479 CA VAL A 31 3.783 6.426 -1.561 1.00 73.23 C ATOM 480 C VAL A 31 4.249 7.898 -1.487 1.00 63.20 C ATOM 481 O VAL A 31 4.655 8.481 -2.500 1.00 74.30 O ATOM 482 CB VAL A 31 4.937 5.433 -2.032 1.00 1.35 C ATOM 483 CG1 VAL A 31 5.443 5.692 -3.475 1.00 72.41 C ATOM 484 CG2 VAL A 31 6.109 5.431 -1.029 1.00 43.30 C ATOM 0 H VAL A 31 2.759 6.831 -3.339 1.00 13.30 H new ATOM 0 HA VAL A 31 3.515 6.086 -0.561 1.00 73.23 H new ATOM 0 HB VAL A 31 4.483 4.442 -2.051 1.00 1.35 H new ATOM 0 HG11 VAL A 31 6.227 4.975 -3.720 1.00 72.41 H new ATOM 0 HG12 VAL A 31 4.616 5.579 -4.176 1.00 72.41 H new ATOM 0 HG13 VAL A 31 5.842 6.704 -3.545 1.00 72.41 H new ATOM 0 HG21 VAL A 31 6.882 4.745 -1.375 1.00 43.30 H new ATOM 0 HG22 VAL A 31 6.523 6.436 -0.952 1.00 43.30 H new ATOM 0 HG23 VAL A 31 5.750 5.110 -0.051 1.00 43.30 H new ATOM 494 N THR A 32 4.090 8.529 -0.313 1.00 72.11 N ATOM 495 CA THR A 32 4.481 9.940 -0.106 1.00 30.13 C ATOM 496 C THR A 32 5.657 9.999 0.903 1.00 35.53 C ATOM 497 O THR A 32 5.543 9.415 2.007 1.00 64.54 O ATOM 498 CB THR A 32 3.278 10.807 0.411 1.00 52.32 C ATOM 499 OG1 THR A 32 2.087 10.471 -0.324 1.00 12.21 O ATOM 500 CG2 THR A 32 3.537 12.332 0.304 1.00 21.41 C ATOM 0 H THR A 32 3.691 8.085 0.514 1.00 72.11 H new ATOM 0 HA THR A 32 4.792 10.356 -1.065 1.00 30.13 H new ATOM 0 HB THR A 32 3.155 10.576 1.469 1.00 52.32 H new ATOM 0 HG1 THR A 32 1.662 11.291 -0.651 1.00 12.21 H new ATOM 0 HG21 THR A 32 2.669 12.876 0.677 1.00 21.41 H new ATOM 0 HG22 THR A 32 4.412 12.595 0.898 1.00 21.41 H new ATOM 0 HG23 THR A 32 3.712 12.599 -0.738 1.00 21.41 H new ATOM 508 N PRO A 33 6.795 10.692 0.537 1.00 44.22 N ATOM 509 CA PRO A 33 8.027 10.807 1.379 1.00 21.32 C ATOM 510 C PRO A 33 7.756 11.256 2.851 1.00 12.41 C ATOM 511 O PRO A 33 6.763 11.950 3.118 1.00 5.33 O ATOM 512 CB PRO A 33 8.892 11.864 0.608 1.00 53.45 C ATOM 513 CG PRO A 33 7.963 12.493 -0.392 1.00 55.15 C ATOM 514 CD PRO A 33 7.000 11.399 -0.762 1.00 74.41 C ATOM 0 HA PRO A 33 8.514 9.840 1.502 1.00 21.32 H new ATOM 0 HB2 PRO A 33 9.298 12.611 1.290 1.00 53.45 H new ATOM 0 HB3 PRO A 33 9.740 11.391 0.112 1.00 53.45 H new ATOM 0 HG2 PRO A 33 7.443 13.350 0.036 1.00 55.15 H new ATOM 0 HG3 PRO A 33 8.507 12.853 -1.265 1.00 55.15 H new ATOM 0 HD2 PRO A 33 6.066 11.798 -1.158 1.00 74.41 H new ATOM 0 HD3 PRO A 33 7.412 10.737 -1.523 1.00 74.41 H new ATOM 522 N PRO A 34 8.667 10.891 3.816 1.00 71.32 N ATOM 523 CA PRO A 34 8.470 11.161 5.270 1.00 23.43 C ATOM 524 C PRO A 34 8.600 12.659 5.647 1.00 10.31 C ATOM 525 O PRO A 34 8.795 13.517 4.780 1.00 31.41 O ATOM 526 CB PRO A 34 9.598 10.315 5.918 1.00 2.34 C ATOM 527 CG PRO A 34 10.687 10.302 4.897 1.00 4.41 C ATOM 528 CD PRO A 34 9.972 10.196 3.571 1.00 63.41 C ATOM 0 HA PRO A 34 7.465 10.905 5.605 1.00 23.43 H new ATOM 0 HB2 PRO A 34 9.937 10.757 6.855 1.00 2.34 H new ATOM 0 HB3 PRO A 34 9.256 9.306 6.147 1.00 2.34 H new ATOM 0 HG2 PRO A 34 11.290 11.209 4.950 1.00 4.41 H new ATOM 0 HG3 PRO A 34 11.363 9.461 5.050 1.00 4.41 H new ATOM 0 HD2 PRO A 34 10.537 10.675 2.772 1.00 63.41 H new ATOM 0 HD3 PRO A 34 9.824 9.157 3.278 1.00 63.41 H new ATOM 536 N GLY A 35 8.492 12.950 6.958 1.00 22.13 N ATOM 537 CA GLY A 35 8.612 14.323 7.474 1.00 52.53 C ATOM 538 C GLY A 35 7.275 15.043 7.586 1.00 2.54 C ATOM 539 O GLY A 35 7.218 16.170 8.086 1.00 14.32 O ATOM 0 H GLY A 35 8.321 12.249 7.679 1.00 22.13 H new ATOM 0 HA2 GLY A 35 9.085 14.295 8.456 1.00 52.53 H new ATOM 0 HA3 GLY A 35 9.270 14.894 6.819 1.00 52.53 H new ATOM 543 N ASN A 36 6.194 14.385 7.130 1.00 20.11 N ATOM 544 CA ASN A 36 4.828 14.928 7.203 1.00 24.23 C ATOM 545 C ASN A 36 4.192 14.476 8.538 1.00 20.11 C ATOM 546 O ASN A 36 3.387 13.549 8.576 1.00 51.12 O ATOM 547 CB ASN A 36 3.994 14.458 5.964 1.00 41.32 C ATOM 548 CG ASN A 36 2.577 15.054 5.899 1.00 10.25 C ATOM 549 OD1 ASN A 36 2.336 16.190 6.316 1.00 52.31 O ATOM 550 ND2 ASN A 36 1.623 14.296 5.380 1.00 3.23 N ATOM 0 H ASN A 36 6.244 13.461 6.700 1.00 20.11 H new ATOM 0 HA ASN A 36 4.846 16.018 7.178 1.00 24.23 H new ATOM 0 HB2 ASN A 36 4.532 14.726 5.055 1.00 41.32 H new ATOM 0 HB3 ASN A 36 3.919 13.371 5.981 1.00 41.32 H new ATOM 0 HD21 ASN A 36 0.668 14.649 5.319 1.00 3.23 H new ATOM 0 HD22 ASN A 36 1.843 13.360 5.041 1.00 3.23 H new ATOM 557 N GLY A 37 4.659 15.071 9.652 1.00 73.31 N ATOM 558 CA GLY A 37 4.157 14.747 10.999 1.00 31.25 C ATOM 559 C GLY A 37 4.696 13.434 11.583 1.00 0.45 C ATOM 560 O GLY A 37 4.519 13.185 12.782 1.00 12.10 O ATOM 0 H GLY A 37 5.389 15.784 9.644 1.00 73.31 H new ATOM 0 HA2 GLY A 37 4.415 15.563 11.674 1.00 31.25 H new ATOM 0 HA3 GLY A 37 3.069 14.694 10.964 1.00 31.25 H new ATOM 564 N CYS A 38 5.328 12.582 10.738 1.00 13.11 N ATOM 565 CA CYS A 38 5.884 11.274 11.148 1.00 1.45 C ATOM 566 C CYS A 38 7.252 11.042 10.455 1.00 70.23 C ATOM 567 O CYS A 38 7.436 11.484 9.313 1.00 5.21 O ATOM 568 CB CYS A 38 4.895 10.142 10.780 1.00 42.21 C ATOM 569 SG CYS A 38 4.693 9.880 8.990 1.00 0.42 S ATOM 0 H CYS A 38 5.465 12.787 9.748 1.00 13.11 H new ATOM 0 HA CYS A 38 6.033 11.270 12.228 1.00 1.45 H new ATOM 0 HB2 CYS A 38 5.238 9.213 11.235 1.00 42.21 H new ATOM 0 HB3 CYS A 38 3.922 10.370 11.215 1.00 42.21 H new ATOM 574 N PRO A 39 8.241 10.342 11.127 1.00 53.33 N ATOM 575 CA PRO A 39 9.577 10.043 10.535 1.00 53.34 C ATOM 576 C PRO A 39 9.555 8.912 9.469 1.00 45.23 C ATOM 577 O PRO A 39 10.572 8.662 8.814 1.00 73.32 O ATOM 578 CB PRO A 39 10.447 9.645 11.772 1.00 70.24 C ATOM 579 CG PRO A 39 9.592 9.923 12.985 1.00 1.14 C ATOM 580 CD PRO A 39 8.161 9.817 12.512 1.00 43.23 C ATOM 0 HA PRO A 39 9.965 10.900 9.984 1.00 53.34 H new ATOM 0 HB2 PRO A 39 10.732 8.594 11.727 1.00 70.24 H new ATOM 0 HB3 PRO A 39 11.370 10.224 11.803 1.00 70.24 H new ATOM 0 HG2 PRO A 39 9.795 9.205 13.780 1.00 1.14 H new ATOM 0 HG3 PRO A 39 9.798 10.914 13.390 1.00 1.14 H new ATOM 0 HD2 PRO A 39 7.801 8.789 12.536 1.00 43.23 H new ATOM 0 HD3 PRO A 39 7.484 10.406 13.131 1.00 43.23 H new ATOM 588 N LYS A 40 8.401 8.229 9.309 1.00 13.44 N ATOM 589 CA LYS A 40 8.243 7.125 8.334 1.00 54.15 C ATOM 590 C LYS A 40 7.531 7.636 7.073 1.00 64.31 C ATOM 591 O LYS A 40 6.742 8.586 7.143 1.00 52.03 O ATOM 592 CB LYS A 40 7.426 5.926 8.921 1.00 31.14 C ATOM 593 CG LYS A 40 8.116 5.123 10.062 1.00 2.32 C ATOM 594 CD LYS A 40 8.148 5.845 11.433 1.00 71.41 C ATOM 595 CE LYS A 40 6.746 6.205 11.965 1.00 4.33 C ATOM 596 NZ LYS A 40 6.806 6.681 13.376 1.00 0.14 N ATOM 0 H LYS A 40 7.557 8.425 9.848 1.00 13.44 H new ATOM 0 HA LYS A 40 9.245 6.770 8.092 1.00 54.15 H new ATOM 0 HB2 LYS A 40 6.476 6.308 9.296 1.00 31.14 H new ATOM 0 HB3 LYS A 40 7.194 5.238 8.108 1.00 31.14 H new ATOM 0 HG2 LYS A 40 7.601 4.170 10.180 1.00 2.32 H new ATOM 0 HG3 LYS A 40 9.139 4.897 9.762 1.00 2.32 H new ATOM 0 HD2 LYS A 40 8.652 5.208 12.160 1.00 71.41 H new ATOM 0 HD3 LYS A 40 8.740 6.756 11.343 1.00 71.41 H new ATOM 0 HE2 LYS A 40 6.304 6.979 11.337 1.00 4.33 H new ATOM 0 HE3 LYS A 40 6.096 5.333 11.901 1.00 4.33 H new ATOM 0 HZ1 LYS A 40 6.318 6.001 13.993 1.00 0.14 H new ATOM 0 HZ2 LYS A 40 7.799 6.766 13.672 1.00 0.14 H new ATOM 0 HZ3 LYS A 40 6.343 7.609 13.449 1.00 0.14 H new ATOM 610 N THR A 41 7.846 7.007 5.931 1.00 53.31 N ATOM 611 CA THR A 41 7.136 7.220 4.664 1.00 44.41 C ATOM 612 C THR A 41 5.699 6.671 4.773 1.00 63.02 C ATOM 613 O THR A 41 5.506 5.547 5.264 1.00 45.14 O ATOM 614 CB THR A 41 7.884 6.493 3.497 1.00 52.21 C ATOM 615 OG1 THR A 41 9.240 6.962 3.416 1.00 3.24 O ATOM 616 CG2 THR A 41 7.191 6.685 2.140 1.00 42.03 C ATOM 0 H THR A 41 8.607 6.331 5.862 1.00 53.31 H new ATOM 0 HA THR A 41 7.103 8.289 4.456 1.00 44.41 H new ATOM 0 HB THR A 41 7.867 5.427 3.723 1.00 52.21 H new ATOM 0 HG1 THR A 41 9.702 6.502 2.685 1.00 3.24 H new ATOM 0 HG21 THR A 41 7.752 6.160 1.367 1.00 42.03 H new ATOM 0 HG22 THR A 41 6.178 6.284 2.189 1.00 42.03 H new ATOM 0 HG23 THR A 41 7.150 7.747 1.900 1.00 42.03 H new ATOM 624 N GLU A 42 4.701 7.449 4.312 1.00 73.21 N ATOM 625 CA GLU A 42 3.291 7.011 4.346 1.00 74.11 C ATOM 626 C GLU A 42 2.976 6.226 3.059 1.00 42.11 C ATOM 627 O GLU A 42 3.144 6.735 1.942 1.00 62.54 O ATOM 628 CB GLU A 42 2.304 8.207 4.545 1.00 70.34 C ATOM 629 CG GLU A 42 2.459 9.348 3.526 1.00 42.13 C ATOM 630 CD GLU A 42 1.288 10.350 3.509 1.00 50.25 C ATOM 631 OE1 GLU A 42 1.360 11.396 4.193 1.00 70.24 O ATOM 632 OE2 GLU A 42 0.293 10.103 2.780 1.00 51.14 O ATOM 0 H GLU A 42 4.842 8.378 3.914 1.00 73.21 H new ATOM 0 HA GLU A 42 3.151 6.360 5.209 1.00 74.11 H new ATOM 0 HB2 GLU A 42 1.283 7.829 4.494 1.00 70.34 H new ATOM 0 HB3 GLU A 42 2.444 8.612 5.547 1.00 70.34 H new ATOM 0 HG2 GLU A 42 3.381 9.889 3.742 1.00 42.13 H new ATOM 0 HG3 GLU A 42 2.567 8.918 2.530 1.00 42.13 H new ATOM 639 N VAL A 43 2.581 4.957 3.230 1.00 34.12 N ATOM 640 CA VAL A 43 2.210 4.063 2.124 1.00 3.33 C ATOM 641 C VAL A 43 0.732 3.687 2.285 1.00 23.23 C ATOM 642 O VAL A 43 0.373 2.884 3.160 1.00 52.11 O ATOM 643 CB VAL A 43 3.129 2.777 2.089 1.00 20.21 C ATOM 644 CG1 VAL A 43 2.793 1.869 0.877 1.00 32.22 C ATOM 645 CG2 VAL A 43 4.623 3.174 2.087 1.00 54.43 C ATOM 0 H VAL A 43 2.509 4.518 4.148 1.00 34.12 H new ATOM 0 HA VAL A 43 2.358 4.575 1.173 1.00 3.33 H new ATOM 0 HB VAL A 43 2.929 2.201 2.992 1.00 20.21 H new ATOM 0 HG11 VAL A 43 3.444 0.995 0.885 1.00 32.22 H new ATOM 0 HG12 VAL A 43 1.753 1.547 0.940 1.00 32.22 H new ATOM 0 HG13 VAL A 43 2.945 2.426 -0.048 1.00 32.22 H new ATOM 0 HG21 VAL A 43 5.238 2.275 2.063 1.00 54.43 H new ATOM 0 HG22 VAL A 43 4.836 3.783 1.209 1.00 54.43 H new ATOM 0 HG23 VAL A 43 4.849 3.744 2.988 1.00 54.43 H new ATOM 655 N VAL A 44 -0.125 4.316 1.464 1.00 51.31 N ATOM 656 CA VAL A 44 -1.573 4.065 1.459 1.00 14.00 C ATOM 657 C VAL A 44 -1.978 3.520 0.073 1.00 1.04 C ATOM 658 O VAL A 44 -1.822 4.195 -0.953 1.00 22.32 O ATOM 659 CB VAL A 44 -2.434 5.339 1.876 1.00 53.11 C ATOM 660 CG1 VAL A 44 -2.236 5.691 3.371 1.00 3.12 C ATOM 661 CG2 VAL A 44 -2.148 6.574 0.993 1.00 21.03 C ATOM 0 H VAL A 44 0.170 5.016 0.783 1.00 51.31 H new ATOM 0 HA VAL A 44 -1.793 3.320 2.223 1.00 14.00 H new ATOM 0 HB VAL A 44 -3.476 5.062 1.715 1.00 53.11 H new ATOM 0 HG11 VAL A 44 -2.838 6.565 3.622 1.00 3.12 H new ATOM 0 HG12 VAL A 44 -2.546 4.847 3.988 1.00 3.12 H new ATOM 0 HG13 VAL A 44 -1.184 5.909 3.557 1.00 3.12 H new ATOM 0 HG21 VAL A 44 -2.764 7.410 1.325 1.00 21.03 H new ATOM 0 HG22 VAL A 44 -1.095 6.844 1.075 1.00 21.03 H new ATOM 0 HG23 VAL A 44 -2.383 6.341 -0.046 1.00 21.03 H new ATOM 671 N ILE A 45 -2.433 2.258 0.047 1.00 4.12 N ATOM 672 CA ILE A 45 -2.841 1.590 -1.190 1.00 44.32 C ATOM 673 C ILE A 45 -4.364 1.735 -1.370 1.00 73.33 C ATOM 674 O ILE A 45 -5.142 1.330 -0.498 1.00 32.54 O ATOM 675 CB ILE A 45 -2.452 0.065 -1.194 1.00 32.03 C ATOM 676 CG1 ILE A 45 -0.930 -0.127 -0.893 1.00 74.21 C ATOM 677 CG2 ILE A 45 -2.848 -0.592 -2.535 1.00 60.41 C ATOM 678 CD1 ILE A 45 -0.449 -1.573 -0.814 1.00 43.21 C ATOM 0 H ILE A 45 -2.527 1.678 0.881 1.00 4.12 H new ATOM 0 HA ILE A 45 -2.314 2.067 -2.016 1.00 44.32 H new ATOM 0 HB ILE A 45 -3.007 -0.432 -0.399 1.00 32.03 H new ATOM 0 HG12 ILE A 45 -0.358 0.385 -1.667 1.00 74.21 H new ATOM 0 HG13 ILE A 45 -0.700 0.365 0.052 1.00 74.21 H new ATOM 0 HG21 ILE A 45 -2.571 -1.646 -2.519 1.00 60.41 H new ATOM 0 HG22 ILE A 45 -3.924 -0.501 -2.681 1.00 60.41 H new ATOM 0 HG23 ILE A 45 -2.328 -0.093 -3.352 1.00 60.41 H new ATOM 0 HD11 ILE A 45 0.620 -1.590 -0.601 1.00 43.21 H new ATOM 0 HD12 ILE A 45 -0.985 -2.092 -0.020 1.00 43.21 H new ATOM 0 HD13 ILE A 45 -0.638 -2.072 -1.765 1.00 43.21 H new ATOM 690 N TRP A 46 -4.759 2.335 -2.494 1.00 23.32 N ATOM 691 CA TRP A 46 -6.154 2.458 -2.922 1.00 71.42 C ATOM 692 C TRP A 46 -6.520 1.190 -3.712 1.00 72.45 C ATOM 693 O TRP A 46 -5.816 0.835 -4.669 1.00 13.35 O ATOM 694 CB TRP A 46 -6.299 3.722 -3.808 1.00 11.33 C ATOM 695 CG TRP A 46 -5.946 5.016 -3.097 1.00 4.01 C ATOM 696 CD1 TRP A 46 -4.689 5.494 -2.810 1.00 35.42 C ATOM 697 CD2 TRP A 46 -6.862 6.020 -2.632 1.00 12.31 C ATOM 698 NE1 TRP A 46 -4.779 6.695 -2.151 1.00 45.01 N ATOM 699 CE2 TRP A 46 -6.098 7.049 -2.045 1.00 14.21 C ATOM 700 CE3 TRP A 46 -8.258 6.142 -2.651 1.00 12.35 C ATOM 701 CZ2 TRP A 46 -6.682 8.180 -1.480 1.00 41.31 C ATOM 702 CZ3 TRP A 46 -8.838 7.267 -2.089 1.00 63.13 C ATOM 703 CH2 TRP A 46 -8.048 8.275 -1.515 1.00 45.32 C ATOM 0 H TRP A 46 -4.102 2.759 -3.148 1.00 23.32 H new ATOM 0 HA TRP A 46 -6.823 2.558 -2.068 1.00 71.42 H new ATOM 0 HB2 TRP A 46 -5.660 3.615 -4.684 1.00 11.33 H new ATOM 0 HB3 TRP A 46 -7.326 3.785 -4.168 1.00 11.33 H new ATOM 0 HD1 TRP A 46 -3.765 4.997 -3.066 1.00 35.42 H new ATOM 0 HE1 TRP A 46 -3.990 7.237 -1.797 1.00 45.01 H new ATOM 0 HE3 TRP A 46 -8.871 5.372 -3.096 1.00 12.35 H new ATOM 0 HZ2 TRP A 46 -6.079 8.955 -1.030 1.00 41.31 H new ATOM 0 HZ3 TRP A 46 -9.913 7.370 -2.092 1.00 63.13 H new ATOM 0 HH2 TRP A 46 -8.528 9.145 -1.091 1.00 45.32 H new ATOM 714 N THR A 47 -7.569 0.484 -3.282 1.00 62.04 N ATOM 715 CA THR A 47 -8.071 -0.721 -3.980 1.00 61.12 C ATOM 716 C THR A 47 -9.101 -0.341 -5.074 1.00 71.50 C ATOM 717 O THR A 47 -9.410 0.842 -5.260 1.00 52.12 O ATOM 718 CB THR A 47 -8.694 -1.716 -2.953 1.00 54.21 C ATOM 719 OG1 THR A 47 -9.706 -1.047 -2.198 1.00 31.44 O ATOM 720 CG2 THR A 47 -7.633 -2.293 -1.990 1.00 1.30 C ATOM 0 H THR A 47 -8.098 0.724 -2.444 1.00 62.04 H new ATOM 0 HA THR A 47 -7.230 -1.210 -4.472 1.00 61.12 H new ATOM 0 HB THR A 47 -9.123 -2.547 -3.513 1.00 54.21 H new ATOM 0 HG1 THR A 47 -10.560 -1.102 -2.675 1.00 31.44 H new ATOM 0 HG21 THR A 47 -8.111 -2.981 -1.292 1.00 1.30 H new ATOM 0 HG22 THR A 47 -6.874 -2.826 -2.562 1.00 1.30 H new ATOM 0 HG23 THR A 47 -7.165 -1.480 -1.435 1.00 1.30 H new ATOM 728 N LYS A 48 -9.622 -1.356 -5.795 1.00 40.05 N ATOM 729 CA LYS A 48 -10.632 -1.163 -6.865 1.00 32.31 C ATOM 730 C LYS A 48 -12.034 -0.857 -6.282 1.00 4.53 C ATOM 731 O LYS A 48 -12.933 -0.428 -7.006 1.00 72.21 O ATOM 732 CB LYS A 48 -10.656 -2.413 -7.793 1.00 3.34 C ATOM 733 CG LYS A 48 -9.334 -2.644 -8.567 1.00 1.31 C ATOM 734 CD LYS A 48 -9.356 -3.916 -9.451 1.00 14.31 C ATOM 735 CE LYS A 48 -8.084 -4.068 -10.306 1.00 54.23 C ATOM 736 NZ LYS A 48 -8.094 -5.317 -11.122 1.00 70.14 N ATOM 0 H LYS A 48 -9.357 -2.331 -5.655 1.00 40.05 H new ATOM 0 HA LYS A 48 -10.348 -0.293 -7.458 1.00 32.31 H new ATOM 0 HB2 LYS A 48 -10.873 -3.296 -7.192 1.00 3.34 H new ATOM 0 HB3 LYS A 48 -11.471 -2.307 -8.509 1.00 3.34 H new ATOM 0 HG2 LYS A 48 -9.133 -1.777 -9.196 1.00 1.31 H new ATOM 0 HG3 LYS A 48 -8.512 -2.719 -7.855 1.00 1.31 H new ATOM 0 HD2 LYS A 48 -9.468 -4.794 -8.815 1.00 14.31 H new ATOM 0 HD3 LYS A 48 -10.227 -3.884 -10.106 1.00 14.31 H new ATOM 0 HE2 LYS A 48 -7.988 -3.206 -10.967 1.00 54.23 H new ATOM 0 HE3 LYS A 48 -7.210 -4.069 -9.655 1.00 54.23 H new ATOM 0 HZ1 LYS A 48 -7.396 -5.237 -11.888 1.00 70.14 H new ATOM 0 HZ2 LYS A 48 -7.853 -6.128 -10.518 1.00 70.14 H new ATOM 0 HZ3 LYS A 48 -9.040 -5.458 -11.530 1.00 70.14 H new ATOM 750 N MET A 49 -12.204 -1.097 -4.966 1.00 0.25 N ATOM 751 CA MET A 49 -13.401 -0.661 -4.199 1.00 61.21 C ATOM 752 C MET A 49 -13.134 0.702 -3.514 1.00 32.02 C ATOM 753 O MET A 49 -14.003 1.222 -2.795 1.00 20.40 O ATOM 754 CB MET A 49 -13.794 -1.729 -3.133 1.00 53.53 C ATOM 755 CG MET A 49 -13.998 -3.160 -3.680 1.00 3.42 C ATOM 756 SD MET A 49 -12.445 -3.965 -4.160 1.00 74.11 S ATOM 757 CE MET A 49 -11.600 -4.104 -2.581 1.00 30.31 C ATOM 0 H MET A 49 -11.519 -1.598 -4.400 1.00 0.25 H new ATOM 0 HA MET A 49 -14.231 -0.549 -4.897 1.00 61.21 H new ATOM 0 HB2 MET A 49 -13.019 -1.757 -2.367 1.00 53.53 H new ATOM 0 HB3 MET A 49 -14.714 -1.410 -2.644 1.00 53.53 H new ATOM 0 HG2 MET A 49 -14.495 -3.765 -2.922 1.00 3.42 H new ATOM 0 HG3 MET A 49 -14.663 -3.122 -4.543 1.00 3.42 H new ATOM 0 HE1 MET A 49 -10.803 -4.844 -2.659 1.00 30.31 H new ATOM 0 HE2 MET A 49 -11.173 -3.138 -2.310 1.00 30.31 H new ATOM 0 HE3 MET A 49 -12.310 -4.414 -1.814 1.00 30.31 H new ATOM 767 N LYS A 50 -11.912 1.241 -3.745 1.00 14.21 N ATOM 768 CA LYS A 50 -11.408 2.523 -3.192 1.00 73.12 C ATOM 769 C LYS A 50 -11.229 2.487 -1.670 1.00 63.45 C ATOM 770 O LYS A 50 -11.183 3.542 -1.022 1.00 10.31 O ATOM 771 CB LYS A 50 -12.263 3.741 -3.672 1.00 73.51 C ATOM 772 CG LYS A 50 -12.121 4.040 -5.178 1.00 34.35 C ATOM 773 CD LYS A 50 -10.653 4.316 -5.586 1.00 2.00 C ATOM 774 CE LYS A 50 -10.506 4.672 -7.070 1.00 52.23 C ATOM 775 NZ LYS A 50 -11.274 5.896 -7.440 1.00 21.44 N ATOM 0 H LYS A 50 -11.226 0.779 -4.342 1.00 14.21 H new ATOM 0 HA LYS A 50 -10.407 2.664 -3.600 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -13.312 3.550 -3.445 1.00 73.51 H new ATOM 0 HB3 LYS A 50 -11.971 4.625 -3.105 1.00 73.51 H new ATOM 0 HG2 LYS A 50 -12.503 3.195 -5.752 1.00 34.35 H new ATOM 0 HG3 LYS A 50 -12.736 4.903 -5.434 1.00 34.35 H new ATOM 0 HD2 LYS A 50 -10.260 5.133 -4.980 1.00 2.00 H new ATOM 0 HD3 LYS A 50 -10.048 3.436 -5.366 1.00 2.00 H new ATOM 0 HE2 LYS A 50 -9.452 4.824 -7.302 1.00 52.23 H new ATOM 0 HE3 LYS A 50 -10.848 3.834 -7.677 1.00 52.23 H new ATOM 0 HZ1 LYS A 50 -11.024 6.183 -8.408 1.00 21.44 H new ATOM 0 HZ2 LYS A 50 -12.293 5.695 -7.390 1.00 21.44 H new ATOM 0 HZ3 LYS A 50 -11.041 6.665 -6.780 1.00 21.44 H new ATOM 789 N LYS A 51 -11.058 1.271 -1.118 1.00 24.02 N ATOM 790 CA LYS A 51 -10.661 1.091 0.282 1.00 13.10 C ATOM 791 C LYS A 51 -9.192 1.509 0.412 1.00 23.10 C ATOM 792 O LYS A 51 -8.327 0.991 -0.317 1.00 3.04 O ATOM 793 CB LYS A 51 -10.839 -0.390 0.720 1.00 21.41 C ATOM 794 CG LYS A 51 -10.480 -0.692 2.197 1.00 1.04 C ATOM 795 CD LYS A 51 -10.458 -2.209 2.500 1.00 54.51 C ATOM 796 CE LYS A 51 -10.288 -2.525 3.997 1.00 31.04 C ATOM 797 NZ LYS A 51 -11.388 -1.963 4.828 1.00 63.22 N ATOM 0 H LYS A 51 -11.191 0.397 -1.628 1.00 24.02 H new ATOM 0 HA LYS A 51 -11.290 1.703 0.928 1.00 13.10 H new ATOM 0 HB2 LYS A 51 -11.876 -0.680 0.549 1.00 21.41 H new ATOM 0 HB3 LYS A 51 -10.222 -1.018 0.078 1.00 21.41 H new ATOM 0 HG2 LYS A 51 -9.504 -0.264 2.426 1.00 1.04 H new ATOM 0 HG3 LYS A 51 -11.203 -0.204 2.851 1.00 1.04 H new ATOM 0 HD2 LYS A 51 -11.385 -2.658 2.143 1.00 54.51 H new ATOM 0 HD3 LYS A 51 -9.644 -2.673 1.942 1.00 54.51 H new ATOM 0 HE2 LYS A 51 -10.249 -3.606 4.135 1.00 31.04 H new ATOM 0 HE3 LYS A 51 -9.335 -2.125 4.343 1.00 31.04 H new ATOM 0 HZ1 LYS A 51 -11.342 -2.368 5.785 1.00 63.22 H new ATOM 0 HZ2 LYS A 51 -11.287 -0.929 4.884 1.00 63.22 H new ATOM 0 HZ3 LYS A 51 -12.304 -2.199 4.396 1.00 63.22 H new ATOM 811 N VAL A 52 -8.929 2.459 1.314 1.00 23.31 N ATOM 812 CA VAL A 52 -7.593 3.004 1.546 1.00 33.10 C ATOM 813 C VAL A 52 -6.988 2.248 2.730 1.00 20.42 C ATOM 814 O VAL A 52 -7.483 2.359 3.857 1.00 42.32 O ATOM 815 CB VAL A 52 -7.606 4.555 1.846 1.00 53.13 C ATOM 816 CG1 VAL A 52 -6.172 5.137 1.798 1.00 61.52 C ATOM 817 CG2 VAL A 52 -8.544 5.313 0.880 1.00 34.33 C ATOM 0 H VAL A 52 -9.647 2.874 1.908 1.00 23.31 H new ATOM 0 HA VAL A 52 -7.000 2.875 0.640 1.00 33.10 H new ATOM 0 HB VAL A 52 -7.996 4.692 2.854 1.00 53.13 H new ATOM 0 HG11 VAL A 52 -6.206 6.206 2.008 1.00 61.52 H new ATOM 0 HG12 VAL A 52 -5.553 4.640 2.545 1.00 61.52 H new ATOM 0 HG13 VAL A 52 -5.746 4.975 0.808 1.00 61.52 H new ATOM 0 HG21 VAL A 52 -8.527 6.377 1.117 1.00 34.33 H new ATOM 0 HG22 VAL A 52 -8.207 5.164 -0.146 1.00 34.33 H new ATOM 0 HG23 VAL A 52 -9.560 4.934 0.987 1.00 34.33 H new ATOM 827 N ILE A 53 -5.963 1.437 2.463 1.00 63.23 N ATOM 828 CA ILE A 53 -5.267 0.658 3.496 1.00 73.22 C ATOM 829 C ILE A 53 -3.917 1.335 3.792 1.00 52.12 C ATOM 830 O ILE A 53 -3.235 1.780 2.868 1.00 21.23 O ATOM 831 CB ILE A 53 -5.077 -0.860 3.079 1.00 14.43 C ATOM 832 CG1 ILE A 53 -4.098 -1.043 1.871 1.00 42.14 C ATOM 833 CG2 ILE A 53 -6.451 -1.492 2.750 1.00 22.42 C ATOM 834 CD1 ILE A 53 -3.747 -2.482 1.528 1.00 25.42 C ATOM 0 H ILE A 53 -5.589 1.300 1.524 1.00 63.23 H new ATOM 0 HA ILE A 53 -5.878 0.643 4.399 1.00 73.22 H new ATOM 0 HB ILE A 53 -4.626 -1.370 3.930 1.00 14.43 H new ATOM 0 HG12 ILE A 53 -4.542 -0.576 0.992 1.00 42.14 H new ATOM 0 HG13 ILE A 53 -3.176 -0.504 2.088 1.00 42.14 H new ATOM 0 HG21 ILE A 53 -6.313 -2.535 2.464 1.00 22.42 H new ATOM 0 HG22 ILE A 53 -7.096 -1.438 3.627 1.00 22.42 H new ATOM 0 HG23 ILE A 53 -6.914 -0.948 1.926 1.00 22.42 H new ATOM 0 HD11 ILE A 53 -3.064 -2.497 0.678 1.00 25.42 H new ATOM 0 HD12 ILE A 53 -3.269 -2.954 2.386 1.00 25.42 H new ATOM 0 HD13 ILE A 53 -4.656 -3.027 1.273 1.00 25.42 H new ATOM 846 N CYS A 54 -3.557 1.440 5.073 1.00 21.13 N ATOM 847 CA CYS A 54 -2.278 2.036 5.502 1.00 54.42 C ATOM 848 C CYS A 54 -1.374 0.910 5.991 1.00 64.42 C ATOM 849 O CYS A 54 -1.720 0.193 6.941 1.00 22.44 O ATOM 850 CB CYS A 54 -2.518 3.061 6.620 1.00 32.21 C ATOM 851 SG CYS A 54 -1.016 3.796 7.330 1.00 31.31 S ATOM 0 H CYS A 54 -4.139 1.116 5.846 1.00 21.13 H new ATOM 0 HA CYS A 54 -1.805 2.558 4.670 1.00 54.42 H new ATOM 0 HB2 CYS A 54 -3.145 3.862 6.228 1.00 32.21 H new ATOM 0 HB3 CYS A 54 -3.080 2.578 7.419 1.00 32.21 H new ATOM 856 N VAL A 55 -0.239 0.728 5.304 1.00 40.00 N ATOM 857 CA VAL A 55 0.678 -0.400 5.525 1.00 52.44 C ATOM 858 C VAL A 55 2.110 0.120 5.694 1.00 20.11 C ATOM 859 O VAL A 55 2.403 1.283 5.369 1.00 54.12 O ATOM 860 CB VAL A 55 0.592 -1.439 4.333 1.00 31.02 C ATOM 861 CG1 VAL A 55 -0.862 -1.941 4.152 1.00 13.42 C ATOM 862 CG2 VAL A 55 1.144 -0.850 3.008 1.00 53.24 C ATOM 0 H VAL A 55 0.073 1.366 4.571 1.00 40.00 H new ATOM 0 HA VAL A 55 0.383 -0.918 6.437 1.00 52.44 H new ATOM 0 HB VAL A 55 1.223 -2.289 4.593 1.00 31.02 H new ATOM 0 HG11 VAL A 55 -0.901 -2.654 3.328 1.00 13.42 H new ATOM 0 HG12 VAL A 55 -1.196 -2.427 5.069 1.00 13.42 H new ATOM 0 HG13 VAL A 55 -1.514 -1.096 3.931 1.00 13.42 H new ATOM 0 HG21 VAL A 55 1.066 -1.596 2.218 1.00 53.24 H new ATOM 0 HG22 VAL A 55 0.565 0.032 2.733 1.00 53.24 H new ATOM 0 HG23 VAL A 55 2.189 -0.571 3.141 1.00 53.24 H new ATOM 872 N ASN A 56 2.988 -0.745 6.221 1.00 5.10 N ATOM 873 CA ASN A 56 4.416 -0.431 6.401 1.00 5.44 C ATOM 874 C ASN A 56 5.131 -0.496 5.031 1.00 21.45 C ATOM 875 O ASN A 56 4.814 -1.378 4.224 1.00 42.30 O ATOM 876 CB ASN A 56 5.076 -1.412 7.415 1.00 64.31 C ATOM 877 CG ASN A 56 4.430 -1.370 8.810 1.00 51.14 C ATOM 878 OD1 ASN A 56 3.909 -0.344 9.245 1.00 73.21 O ATOM 879 ND2 ASN A 56 4.471 -2.480 9.522 1.00 21.33 N ATOM 0 H ASN A 56 2.731 -1.681 6.535 1.00 5.10 H new ATOM 0 HA ASN A 56 4.511 0.576 6.807 1.00 5.44 H new ATOM 0 HB2 ASN A 56 5.011 -2.427 7.023 1.00 64.31 H new ATOM 0 HB3 ASN A 56 6.135 -1.172 7.505 1.00 64.31 H new ATOM 0 HD21 ASN A 56 4.064 -2.501 10.457 1.00 21.33 H new ATOM 0 HD22 ASN A 56 4.909 -3.317 9.137 1.00 21.33 H new ATOM 886 N PRO A 57 6.110 0.434 4.745 1.00 45.52 N ATOM 887 CA PRO A 57 6.906 0.409 3.478 1.00 32.20 C ATOM 888 C PRO A 57 7.729 -0.887 3.315 1.00 62.32 C ATOM 889 O PRO A 57 8.062 -1.283 2.194 1.00 55.41 O ATOM 890 CB PRO A 57 7.819 1.670 3.598 1.00 61.23 C ATOM 891 CG PRO A 57 7.866 1.972 5.070 1.00 64.03 C ATOM 892 CD PRO A 57 6.499 1.592 5.601 1.00 40.51 C ATOM 0 HA PRO A 57 6.271 0.425 2.592 1.00 32.20 H new ATOM 0 HB2 PRO A 57 8.816 1.476 3.202 1.00 61.23 H new ATOM 0 HB3 PRO A 57 7.410 2.509 3.035 1.00 61.23 H new ATOM 0 HG2 PRO A 57 8.652 1.401 5.564 1.00 64.03 H new ATOM 0 HG3 PRO A 57 8.078 3.026 5.248 1.00 64.03 H new ATOM 0 HD2 PRO A 57 6.539 1.318 6.655 1.00 40.51 H new ATOM 0 HD3 PRO A 57 5.790 2.415 5.512 1.00 40.51 H new ATOM 900 N ARG A 58 8.034 -1.546 4.447 1.00 44.13 N ATOM 901 CA ARG A 58 8.815 -2.793 4.478 1.00 41.41 C ATOM 902 C ARG A 58 7.905 -3.997 4.790 1.00 51.30 C ATOM 903 O ARG A 58 8.331 -4.959 5.439 1.00 45.25 O ATOM 904 CB ARG A 58 9.983 -2.671 5.493 1.00 25.24 C ATOM 905 CG ARG A 58 10.929 -1.470 5.246 1.00 32.11 C ATOM 906 CD ARG A 58 12.263 -1.600 5.995 1.00 71.11 C ATOM 907 NE ARG A 58 12.090 -1.822 7.443 1.00 21.35 N ATOM 908 CZ ARG A 58 12.991 -2.417 8.247 1.00 12.42 C ATOM 909 NH1 ARG A 58 14.153 -2.875 7.762 1.00 4.33 N ATOM 910 NH2 ARG A 58 12.733 -2.556 9.538 1.00 31.20 N ATOM 0 H ARG A 58 7.743 -1.226 5.371 1.00 44.13 H new ATOM 0 HA ARG A 58 9.250 -2.964 3.493 1.00 41.41 H new ATOM 0 HB2 ARG A 58 9.567 -2.589 6.497 1.00 25.24 H new ATOM 0 HB3 ARG A 58 10.569 -3.590 5.465 1.00 25.24 H new ATOM 0 HG2 ARG A 58 11.125 -1.381 4.177 1.00 32.11 H new ATOM 0 HG3 ARG A 58 10.431 -0.551 5.556 1.00 32.11 H new ATOM 0 HD2 ARG A 58 12.832 -2.427 5.571 1.00 71.11 H new ATOM 0 HD3 ARG A 58 12.851 -0.695 5.839 1.00 71.11 H new ATOM 0 HE ARG A 58 11.221 -1.500 7.868 1.00 21.35 H new ATOM 0 HH11 ARG A 58 14.366 -2.775 6.770 1.00 4.33 H new ATOM 0 HH12 ARG A 58 14.825 -3.323 8.385 1.00 4.33 H new ATOM 0 HH21 ARG A 58 11.853 -2.213 9.922 1.00 31.20 H new ATOM 0 HH22 ARG A 58 13.415 -3.007 10.149 1.00 31.20 H new ATOM 924 N ALA A 59 6.631 -3.920 4.351 1.00 54.11 N ATOM 925 CA ALA A 59 5.724 -5.081 4.338 1.00 62.35 C ATOM 926 C ALA A 59 6.257 -6.127 3.319 1.00 73.31 C ATOM 927 O ALA A 59 6.511 -5.788 2.162 1.00 21.14 O ATOM 928 CB ALA A 59 4.280 -4.635 4.020 1.00 4.32 C ATOM 0 H ALA A 59 6.208 -3.061 4.000 1.00 54.11 H new ATOM 0 HA ALA A 59 5.697 -5.548 5.323 1.00 62.35 H new ATOM 0 HB1 ALA A 59 3.623 -5.505 4.014 1.00 4.32 H new ATOM 0 HB2 ALA A 59 3.942 -3.930 4.779 1.00 4.32 H new ATOM 0 HB3 ALA A 59 4.255 -4.155 3.042 1.00 4.32 H new ATOM 934 N LYS A 60 6.449 -7.384 3.770 1.00 34.44 N ATOM 935 CA LYS A 60 7.156 -8.434 2.998 1.00 41.21 C ATOM 936 C LYS A 60 6.366 -8.899 1.745 1.00 0.11 C ATOM 937 O LYS A 60 6.966 -9.288 0.736 1.00 43.44 O ATOM 938 CB LYS A 60 7.495 -9.639 3.924 1.00 55.40 C ATOM 939 CG LYS A 60 8.501 -10.649 3.321 1.00 73.00 C ATOM 940 CD LYS A 60 8.847 -11.801 4.287 1.00 65.40 C ATOM 941 CE LYS A 60 9.905 -12.761 3.714 1.00 31.25 C ATOM 942 NZ LYS A 60 11.229 -12.098 3.534 1.00 44.20 N ATOM 0 H LYS A 60 6.119 -7.703 4.681 1.00 34.44 H new ATOM 0 HA LYS A 60 8.081 -7.994 2.626 1.00 41.21 H new ATOM 0 HB2 LYS A 60 7.900 -9.258 4.861 1.00 55.40 H new ATOM 0 HB3 LYS A 60 6.572 -10.166 4.166 1.00 55.40 H new ATOM 0 HG2 LYS A 60 8.085 -11.064 2.403 1.00 73.00 H new ATOM 0 HG3 LYS A 60 9.416 -10.124 3.048 1.00 73.00 H new ATOM 0 HD2 LYS A 60 9.211 -11.385 5.226 1.00 65.40 H new ATOM 0 HD3 LYS A 60 7.941 -12.361 4.517 1.00 65.40 H new ATOM 0 HE2 LYS A 60 10.016 -13.616 4.381 1.00 31.25 H new ATOM 0 HE3 LYS A 60 9.561 -13.148 2.755 1.00 31.25 H new ATOM 0 HZ1 LYS A 60 11.942 -12.810 3.276 1.00 44.20 H new ATOM 0 HZ2 LYS A 60 11.161 -11.387 2.778 1.00 44.20 H new ATOM 0 HZ3 LYS A 60 11.509 -11.634 4.422 1.00 44.20 H new ATOM 956 N TRP A 61 5.018 -8.843 1.809 1.00 24.20 N ATOM 957 CA TRP A 61 4.137 -9.189 0.660 1.00 61.34 C ATOM 958 C TRP A 61 4.152 -8.085 -0.421 1.00 62.14 C ATOM 959 O TRP A 61 3.842 -8.349 -1.586 1.00 53.33 O ATOM 960 CB TRP A 61 2.677 -9.479 1.130 1.00 52.22 C ATOM 961 CG TRP A 61 2.061 -8.416 2.028 1.00 14.11 C ATOM 962 CD1 TRP A 61 1.985 -8.444 3.392 1.00 22.15 C ATOM 963 CD2 TRP A 61 1.443 -7.181 1.624 1.00 51.33 C ATOM 964 NE1 TRP A 61 1.371 -7.312 3.854 1.00 14.50 N ATOM 965 CE2 TRP A 61 1.028 -6.524 2.792 1.00 52.52 C ATOM 966 CE3 TRP A 61 1.197 -6.571 0.388 1.00 65.14 C ATOM 967 CZ2 TRP A 61 0.393 -5.289 2.765 1.00 31.41 C ATOM 968 CZ3 TRP A 61 0.571 -5.347 0.359 1.00 10.43 C ATOM 969 CH2 TRP A 61 0.170 -4.715 1.539 1.00 22.12 C ATOM 0 H TRP A 61 4.509 -8.560 2.647 1.00 24.20 H new ATOM 0 HA TRP A 61 4.536 -10.100 0.213 1.00 61.34 H new ATOM 0 HB2 TRP A 61 2.046 -9.598 0.249 1.00 52.22 H new ATOM 0 HB3 TRP A 61 2.666 -10.431 1.661 1.00 52.22 H new ATOM 0 HD1 TRP A 61 2.356 -9.244 4.015 1.00 22.15 H new ATOM 0 HE1 TRP A 61 1.197 -7.092 4.835 1.00 14.50 H new ATOM 0 HE3 TRP A 61 1.495 -7.055 -0.530 1.00 65.14 H new ATOM 0 HZ2 TRP A 61 0.086 -4.798 3.677 1.00 31.41 H new ATOM 0 HZ3 TRP A 61 0.386 -4.867 -0.591 1.00 10.43 H new ATOM 0 HH2 TRP A 61 -0.325 -3.757 1.485 1.00 22.12 H new ATOM 980 N LEU A 62 4.502 -6.845 -0.005 1.00 41.52 N ATOM 981 CA LEU A 62 4.613 -5.675 -0.904 1.00 74.20 C ATOM 982 C LEU A 62 5.787 -5.857 -1.892 1.00 32.42 C ATOM 983 O LEU A 62 5.796 -5.254 -2.967 1.00 22.35 O ATOM 984 CB LEU A 62 4.783 -4.382 -0.056 1.00 61.43 C ATOM 985 CG LEU A 62 4.807 -3.012 -0.820 1.00 73.30 C ATOM 986 CD1 LEU A 62 3.436 -2.681 -1.444 1.00 62.52 C ATOM 987 CD2 LEU A 62 5.294 -1.857 0.089 1.00 74.20 C ATOM 0 H LEU A 62 4.716 -6.629 0.969 1.00 41.52 H new ATOM 0 HA LEU A 62 3.701 -5.586 -1.494 1.00 74.20 H new ATOM 0 HB2 LEU A 62 3.971 -4.347 0.671 1.00 61.43 H new ATOM 0 HB3 LEU A 62 5.712 -4.469 0.507 1.00 61.43 H new ATOM 0 HG LEU A 62 5.524 -3.118 -1.634 1.00 73.30 H new ATOM 0 HD11 LEU A 62 3.494 -1.725 -1.964 1.00 62.52 H new ATOM 0 HD12 LEU A 62 3.160 -3.463 -2.152 1.00 62.52 H new ATOM 0 HD13 LEU A 62 2.683 -2.621 -0.658 1.00 62.52 H new ATOM 0 HD21 LEU A 62 5.297 -0.925 -0.477 1.00 74.20 H new ATOM 0 HD22 LEU A 62 4.625 -1.760 0.944 1.00 74.20 H new ATOM 0 HD23 LEU A 62 6.303 -2.071 0.440 1.00 74.20 H new ATOM 999 N GLN A 63 6.754 -6.732 -1.520 1.00 51.11 N ATOM 1000 CA GLN A 63 7.884 -7.133 -2.382 1.00 42.31 C ATOM 1001 C GLN A 63 7.391 -7.761 -3.710 1.00 32.14 C ATOM 1002 O GLN A 63 8.048 -7.612 -4.734 1.00 75.40 O ATOM 1003 CB GLN A 63 8.809 -8.123 -1.626 1.00 62.14 C ATOM 1004 CG GLN A 63 10.043 -8.598 -2.426 1.00 61.12 C ATOM 1005 CD GLN A 63 10.886 -9.628 -1.678 1.00 61.53 C ATOM 1006 OE1 GLN A 63 11.833 -9.285 -0.962 1.00 2.31 O ATOM 1007 NE2 GLN A 63 10.536 -10.903 -1.819 1.00 22.14 N ATOM 0 H GLN A 63 6.768 -7.181 -0.604 1.00 51.11 H new ATOM 0 HA GLN A 63 8.450 -6.236 -2.631 1.00 42.31 H new ATOM 0 HB2 GLN A 63 9.151 -7.648 -0.706 1.00 62.14 H new ATOM 0 HB3 GLN A 63 8.224 -8.996 -1.336 1.00 62.14 H new ATOM 0 HG2 GLN A 63 9.712 -9.027 -3.372 1.00 61.12 H new ATOM 0 HG3 GLN A 63 10.665 -7.736 -2.668 1.00 61.12 H new ATOM 0 HE21 GLN A 63 9.749 -11.153 -2.418 1.00 22.14 H new ATOM 0 HE22 GLN A 63 11.055 -11.631 -1.328 1.00 22.14 H new ATOM 1016 N ARG A 64 6.215 -8.432 -3.672 1.00 43.41 N ATOM 1017 CA ARG A 64 5.570 -9.016 -4.871 1.00 12.52 C ATOM 1018 C ARG A 64 5.133 -7.907 -5.850 1.00 53.12 C ATOM 1019 O ARG A 64 5.251 -8.060 -7.067 1.00 61.22 O ATOM 1020 CB ARG A 64 4.347 -9.876 -4.460 1.00 23.41 C ATOM 1021 CG ARG A 64 3.600 -10.553 -5.639 1.00 31.03 C ATOM 1022 CD ARG A 64 2.383 -11.375 -5.188 1.00 3.43 C ATOM 1023 NE ARG A 64 2.766 -12.453 -4.261 1.00 3.31 N ATOM 1024 CZ ARG A 64 2.188 -12.709 -3.076 1.00 61.40 C ATOM 1025 NH1 ARG A 64 1.171 -11.973 -2.639 1.00 42.24 N ATOM 1026 NH2 ARG A 64 2.656 -13.701 -2.339 1.00 25.42 N ATOM 0 H ARG A 64 5.689 -8.583 -2.811 1.00 43.41 H new ATOM 0 HA ARG A 64 6.297 -9.654 -5.373 1.00 12.52 H new ATOM 0 HB2 ARG A 64 4.681 -10.649 -3.768 1.00 23.41 H new ATOM 0 HB3 ARG A 64 3.643 -9.245 -3.917 1.00 23.41 H new ATOM 0 HG2 ARG A 64 3.273 -9.787 -6.342 1.00 31.03 H new ATOM 0 HG3 ARG A 64 4.292 -11.203 -6.175 1.00 31.03 H new ATOM 0 HD2 ARG A 64 1.660 -10.719 -4.704 1.00 3.43 H new ATOM 0 HD3 ARG A 64 1.890 -11.804 -6.061 1.00 3.43 H new ATOM 0 HE ARG A 64 3.537 -13.058 -4.543 1.00 3.31 H new ATOM 0 HH11 ARG A 64 0.819 -11.201 -3.206 1.00 42.24 H new ATOM 0 HH12 ARG A 64 0.742 -12.180 -1.737 1.00 42.24 H new ATOM 0 HH21 ARG A 64 3.443 -14.257 -2.673 1.00 25.42 H new ATOM 0 HH22 ARG A 64 2.230 -13.911 -1.436 1.00 25.42 H new ATOM 1040 N LEU A 65 4.667 -6.779 -5.292 1.00 42.22 N ATOM 1041 CA LEU A 65 4.224 -5.607 -6.079 1.00 12.21 C ATOM 1042 C LEU A 65 5.452 -4.879 -6.663 1.00 13.43 C ATOM 1043 O LEU A 65 5.419 -4.403 -7.806 1.00 31.12 O ATOM 1044 CB LEU A 65 3.370 -4.639 -5.197 1.00 41.12 C ATOM 1045 CG LEU A 65 1.861 -5.016 -4.925 1.00 1.45 C ATOM 1046 CD1 LEU A 65 1.010 -4.980 -6.225 1.00 3.32 C ATOM 1047 CD2 LEU A 65 1.698 -6.368 -4.173 1.00 14.24 C ATOM 0 H LEU A 65 4.585 -6.649 -4.284 1.00 42.22 H new ATOM 0 HA LEU A 65 3.595 -5.949 -6.901 1.00 12.21 H new ATOM 0 HB2 LEU A 65 3.868 -4.540 -4.232 1.00 41.12 H new ATOM 0 HB3 LEU A 65 3.388 -3.656 -5.667 1.00 41.12 H new ATOM 0 HG LEU A 65 1.476 -4.245 -4.258 1.00 1.45 H new ATOM 0 HD11 LEU A 65 -0.021 -5.246 -5.992 1.00 3.32 H new ATOM 0 HD12 LEU A 65 1.039 -3.977 -6.651 1.00 3.32 H new ATOM 0 HD13 LEU A 65 1.415 -5.692 -6.945 1.00 3.32 H new ATOM 0 HD21 LEU A 65 0.639 -6.571 -4.016 1.00 14.24 H new ATOM 0 HD22 LEU A 65 2.137 -7.170 -4.767 1.00 14.24 H new ATOM 0 HD23 LEU A 65 2.204 -6.311 -3.209 1.00 14.24 H new ATOM 1059 N LEU A 66 6.539 -4.836 -5.860 1.00 60.41 N ATOM 1060 CA LEU A 66 7.836 -4.264 -6.266 1.00 41.43 C ATOM 1061 C LEU A 66 8.488 -5.129 -7.369 1.00 30.01 C ATOM 1062 O LEU A 66 9.151 -4.607 -8.262 1.00 3.03 O ATOM 1063 CB LEU A 66 8.785 -4.122 -5.035 1.00 1.14 C ATOM 1064 CG LEU A 66 8.245 -3.254 -3.838 1.00 33.30 C ATOM 1065 CD1 LEU A 66 9.286 -3.140 -2.699 1.00 21.22 C ATOM 1066 CD2 LEU A 66 7.772 -1.854 -4.302 1.00 64.31 C ATOM 0 H LEU A 66 6.538 -5.200 -4.907 1.00 60.41 H new ATOM 0 HA LEU A 66 7.661 -3.268 -6.674 1.00 41.43 H new ATOM 0 HB2 LEU A 66 9.011 -5.120 -4.660 1.00 1.14 H new ATOM 0 HB3 LEU A 66 9.725 -3.689 -5.376 1.00 1.14 H new ATOM 0 HG LEU A 66 7.374 -3.776 -3.441 1.00 33.30 H new ATOM 0 HD11 LEU A 66 8.876 -2.534 -1.891 1.00 21.22 H new ATOM 0 HD12 LEU A 66 9.523 -4.135 -2.322 1.00 21.22 H new ATOM 0 HD13 LEU A 66 10.193 -2.671 -3.081 1.00 21.22 H new ATOM 0 HD21 LEU A 66 7.408 -1.290 -3.443 1.00 64.31 H new ATOM 0 HD22 LEU A 66 8.606 -1.321 -4.759 1.00 64.31 H new ATOM 0 HD23 LEU A 66 6.969 -1.964 -5.031 1.00 64.31 H new ATOM 1078 N ARG A 67 8.246 -6.454 -7.290 1.00 71.45 N ATOM 1079 CA ARG A 67 8.740 -7.462 -8.250 1.00 4.04 C ATOM 1080 C ARG A 67 7.941 -7.391 -9.570 1.00 54.33 C ATOM 1081 O ARG A 67 8.507 -7.553 -10.657 1.00 0.35 O ATOM 1082 CB ARG A 67 8.632 -8.884 -7.606 1.00 75.30 C ATOM 1083 CG ARG A 67 9.013 -10.087 -8.510 1.00 11.32 C ATOM 1084 CD ARG A 67 10.439 -10.011 -9.076 1.00 74.40 C ATOM 1085 NE ARG A 67 11.448 -9.839 -8.021 1.00 54.40 N ATOM 1086 CZ ARG A 67 12.686 -9.356 -8.202 1.00 23.22 C ATOM 1087 NH1 ARG A 67 13.110 -8.982 -9.410 1.00 23.10 N ATOM 1088 NH2 ARG A 67 13.502 -9.250 -7.167 1.00 2.24 N ATOM 0 H ARG A 67 7.689 -6.862 -6.539 1.00 71.45 H new ATOM 0 HA ARG A 67 9.785 -7.257 -8.485 1.00 4.04 H new ATOM 0 HB2 ARG A 67 9.269 -8.907 -6.722 1.00 75.30 H new ATOM 0 HB3 ARG A 67 7.607 -9.026 -7.264 1.00 75.30 H new ATOM 0 HG2 ARG A 67 8.909 -11.008 -7.936 1.00 11.32 H new ATOM 0 HG3 ARG A 67 8.306 -10.145 -9.338 1.00 11.32 H new ATOM 0 HD2 ARG A 67 10.654 -10.920 -9.637 1.00 74.40 H new ATOM 0 HD3 ARG A 67 10.505 -9.180 -9.778 1.00 74.40 H new ATOM 0 HE ARG A 67 11.185 -10.109 -7.073 1.00 54.40 H new ATOM 0 HH11 ARG A 67 12.489 -9.061 -10.215 1.00 23.10 H new ATOM 0 HH12 ARG A 67 14.055 -8.617 -9.528 1.00 23.10 H new ATOM 0 HH21 ARG A 67 13.188 -9.535 -6.239 1.00 2.24 H new ATOM 0 HH22 ARG A 67 14.445 -8.884 -7.297 1.00 2.24 H new ATOM 1102 N HIS A 68 6.628 -7.126 -9.449 1.00 4.13 N ATOM 1103 CA HIS A 68 5.700 -7.062 -10.599 1.00 70.54 C ATOM 1104 C HIS A 68 5.991 -5.824 -11.479 1.00 41.54 C ATOM 1105 O HIS A 68 5.872 -5.883 -12.712 1.00 2.22 O ATOM 1106 CB HIS A 68 4.233 -7.053 -10.091 1.00 74.43 C ATOM 1107 CG HIS A 68 3.190 -7.150 -11.179 1.00 13.51 C ATOM 1108 ND1 HIS A 68 2.431 -6.074 -11.594 1.00 20.43 N ATOM 1109 CD2 HIS A 68 2.772 -8.201 -11.928 1.00 71.05 C ATOM 1110 CE1 HIS A 68 1.599 -6.462 -12.538 1.00 73.25 C ATOM 1111 NE2 HIS A 68 1.784 -7.741 -12.763 1.00 65.21 N ATOM 0 H HIS A 68 6.177 -6.950 -8.551 1.00 4.13 H new ATOM 0 HA HIS A 68 5.850 -7.946 -11.219 1.00 70.54 H new ATOM 0 HB2 HIS A 68 4.097 -7.885 -9.400 1.00 74.43 H new ATOM 0 HB3 HIS A 68 4.064 -6.137 -9.525 1.00 74.43 H new ATOM 0 HD2 HIS A 68 3.147 -9.212 -11.877 1.00 71.05 H new ATOM 0 HE1 HIS A 68 0.883 -5.831 -13.043 1.00 73.25 H new ATOM 0 HE2 HIS A 68 1.277 -8.302 -13.447 1.00 65.21 H new ATOM 1120 N VAL A 69 6.388 -4.711 -10.828 1.00 52.12 N ATOM 1121 CA VAL A 69 6.728 -3.447 -11.528 1.00 32.22 C ATOM 1122 C VAL A 69 8.228 -3.398 -11.898 1.00 64.13 C ATOM 1123 O VAL A 69 8.667 -2.484 -12.599 1.00 1.43 O ATOM 1124 CB VAL A 69 6.323 -2.167 -10.694 1.00 54.34 C ATOM 1125 CG1 VAL A 69 4.819 -2.190 -10.336 1.00 12.02 C ATOM 1126 CG2 VAL A 69 7.192 -1.986 -9.430 1.00 63.14 C ATOM 0 H VAL A 69 6.482 -4.659 -9.814 1.00 52.12 H new ATOM 0 HA VAL A 69 6.142 -3.435 -12.447 1.00 32.22 H new ATOM 0 HB VAL A 69 6.511 -1.303 -11.332 1.00 54.34 H new ATOM 0 HG11 VAL A 69 4.568 -1.298 -9.762 1.00 12.02 H new ATOM 0 HG12 VAL A 69 4.227 -2.211 -11.251 1.00 12.02 H new ATOM 0 HG13 VAL A 69 4.600 -3.077 -9.742 1.00 12.02 H new ATOM 0 HG21 VAL A 69 6.872 -1.093 -8.894 1.00 63.14 H new ATOM 0 HG22 VAL A 69 7.080 -2.857 -8.784 1.00 63.14 H new ATOM 0 HG23 VAL A 69 8.238 -1.881 -9.719 1.00 63.14 H new ATOM 1136 N GLN A 70 9.007 -4.383 -11.407 1.00 42.42 N ATOM 1137 CA GLN A 70 10.435 -4.538 -11.750 1.00 23.14 C ATOM 1138 C GLN A 70 10.556 -5.400 -13.018 1.00 44.33 C ATOM 1139 O GLN A 70 10.032 -6.517 -13.057 1.00 11.33 O ATOM 1140 CB GLN A 70 11.208 -5.196 -10.568 1.00 34.31 C ATOM 1141 CG GLN A 70 12.734 -5.354 -10.768 1.00 10.22 C ATOM 1142 CD GLN A 70 13.464 -4.023 -10.984 1.00 45.05 C ATOM 1143 OE1 GLN A 70 13.634 -3.571 -12.115 1.00 33.24 O ATOM 1144 NE2 GLN A 70 13.885 -3.385 -9.900 1.00 10.40 N ATOM 0 H GLN A 70 8.663 -5.094 -10.761 1.00 42.42 H new ATOM 0 HA GLN A 70 10.873 -3.557 -11.936 1.00 23.14 H new ATOM 0 HB2 GLN A 70 11.038 -4.601 -9.671 1.00 34.31 H new ATOM 0 HB3 GLN A 70 10.781 -6.181 -10.383 1.00 34.31 H new ATOM 0 HG2 GLN A 70 13.157 -5.854 -9.896 1.00 10.22 H new ATOM 0 HG3 GLN A 70 12.915 -6.002 -11.626 1.00 10.22 H new ATOM 0 HE21 GLN A 70 13.727 -3.789 -8.977 1.00 10.40 H new ATOM 0 HE22 GLN A 70 14.367 -2.490 -9.990 1.00 10.40 H new ATOM 1153 N SER A 71 11.240 -4.882 -14.049 1.00 45.11 N ATOM 1154 CA SER A 71 11.433 -5.598 -15.322 1.00 45.44 C ATOM 1155 C SER A 71 12.893 -6.056 -15.460 1.00 23.04 C ATOM 1156 O SER A 71 13.818 -5.386 -14.978 1.00 31.25 O ATOM 1157 CB SER A 71 11.034 -4.698 -16.513 1.00 31.25 C ATOM 1158 OG SER A 71 11.201 -5.366 -17.755 1.00 63.30 O ATOM 0 H SER A 71 11.674 -3.959 -14.026 1.00 45.11 H new ATOM 0 HA SER A 71 10.791 -6.479 -15.326 1.00 45.44 H new ATOM 0 HB2 SER A 71 9.995 -4.389 -16.403 1.00 31.25 H new ATOM 0 HB3 SER A 71 11.639 -3.792 -16.503 1.00 31.25 H new ATOM 0 HG SER A 71 10.938 -4.768 -18.486 1.00 63.30 H new ATOM 1164 N LYS A 72 13.069 -7.204 -16.127 1.00 44.25 N ATOM 1165 CA LYS A 72 14.373 -7.792 -16.444 1.00 2.10 C ATOM 1166 C LYS A 72 14.256 -8.507 -17.794 1.00 41.44 C ATOM 1167 O LYS A 72 13.443 -9.433 -17.943 1.00 0.40 O ATOM 1168 CB LYS A 72 14.810 -8.800 -15.335 1.00 33.23 C ATOM 1169 CG LYS A 72 16.064 -9.664 -15.667 1.00 22.20 C ATOM 1170 CD LYS A 72 17.376 -8.853 -15.805 1.00 12.04 C ATOM 1171 CE LYS A 72 17.820 -8.196 -14.487 1.00 4.12 C ATOM 1172 NZ LYS A 72 17.982 -9.195 -13.399 1.00 71.03 N ATOM 0 H LYS A 72 12.287 -7.762 -16.469 1.00 44.25 H new ATOM 0 HA LYS A 72 15.129 -7.009 -16.494 1.00 2.10 H new ATOM 0 HB2 LYS A 72 15.007 -8.242 -14.419 1.00 33.23 H new ATOM 0 HB3 LYS A 72 13.975 -9.469 -15.127 1.00 33.23 H new ATOM 0 HG2 LYS A 72 16.193 -10.412 -14.885 1.00 22.20 H new ATOM 0 HG3 LYS A 72 15.884 -10.203 -16.597 1.00 22.20 H new ATOM 0 HD2 LYS A 72 18.168 -9.512 -16.160 1.00 12.04 H new ATOM 0 HD3 LYS A 72 17.241 -8.080 -16.562 1.00 12.04 H new ATOM 0 HE2 LYS A 72 18.763 -7.671 -14.642 1.00 4.12 H new ATOM 0 HE3 LYS A 72 17.085 -7.449 -14.188 1.00 4.12 H new ATOM 0 HZ1 LYS A 72 18.456 -8.750 -12.587 1.00 71.03 H new ATOM 0 HZ2 LYS A 72 17.047 -9.543 -13.106 1.00 71.03 H new ATOM 0 HZ3 LYS A 72 18.556 -9.991 -13.742 1.00 71.03 H new ATOM 1186 N SER A 73 15.047 -8.059 -18.773 1.00 4.25 N ATOM 1187 CA SER A 73 15.221 -8.770 -20.044 1.00 25.01 C ATOM 1188 C SER A 73 15.956 -10.097 -19.767 1.00 63.03 C ATOM 1189 O SER A 73 16.925 -10.110 -19.000 1.00 22.30 O ATOM 1190 CB SER A 73 16.006 -7.884 -21.042 1.00 65.14 C ATOM 1191 OG SER A 73 17.242 -7.451 -20.496 1.00 61.34 O ATOM 0 H SER A 73 15.584 -7.194 -18.708 1.00 4.25 H new ATOM 0 HA SER A 73 14.253 -8.990 -20.494 1.00 25.01 H new ATOM 0 HB2 SER A 73 16.189 -8.443 -21.960 1.00 65.14 H new ATOM 0 HB3 SER A 73 15.403 -7.017 -21.312 1.00 65.14 H new ATOM 0 HG SER A 73 17.713 -6.896 -21.152 1.00 61.34 H new ATOM 1197 N LEU A 74 15.464 -11.206 -20.354 1.00 73.42 N ATOM 1198 CA LEU A 74 16.030 -12.556 -20.161 1.00 24.44 C ATOM 1199 C LEU A 74 17.479 -12.615 -20.710 1.00 51.43 C ATOM 1200 O LEU A 74 17.692 -12.754 -21.922 1.00 10.44 O ATOM 1201 CB LEU A 74 15.117 -13.617 -20.851 1.00 12.14 C ATOM 1202 CG LEU A 74 13.612 -13.623 -20.417 1.00 72.43 C ATOM 1203 CD1 LEU A 74 12.796 -14.624 -21.266 1.00 72.22 C ATOM 1204 CD2 LEU A 74 13.449 -13.907 -18.903 1.00 73.34 C ATOM 0 H LEU A 74 14.658 -11.190 -20.979 1.00 73.42 H new ATOM 0 HA LEU A 74 16.069 -12.782 -19.095 1.00 24.44 H new ATOM 0 HB2 LEU A 74 15.162 -13.459 -21.928 1.00 12.14 H new ATOM 0 HB3 LEU A 74 15.533 -14.605 -20.657 1.00 12.14 H new ATOM 0 HG LEU A 74 13.216 -12.624 -20.599 1.00 72.43 H new ATOM 0 HD11 LEU A 74 11.754 -14.609 -20.945 1.00 72.22 H new ATOM 0 HD12 LEU A 74 12.856 -14.343 -22.317 1.00 72.22 H new ATOM 0 HD13 LEU A 74 13.202 -15.627 -21.135 1.00 72.22 H new ATOM 0 HD21 LEU A 74 12.390 -13.902 -18.644 1.00 73.34 H new ATOM 0 HD22 LEU A 74 13.876 -14.882 -18.668 1.00 73.34 H new ATOM 0 HD23 LEU A 74 13.966 -13.137 -18.331 1.00 73.34 H new ATOM 1216 N SER A 75 18.462 -12.453 -19.806 1.00 71.11 N ATOM 1217 CA SER A 75 19.898 -12.343 -20.158 1.00 32.54 C ATOM 1218 C SER A 75 20.704 -13.521 -19.584 1.00 53.53 C ATOM 1219 O SER A 75 20.145 -14.403 -18.919 1.00 3.31 O ATOM 1220 CB SER A 75 20.440 -10.994 -19.626 1.00 41.12 C ATOM 1221 OG SER A 75 19.679 -9.905 -20.123 1.00 34.53 O ATOM 0 H SER A 75 18.286 -12.394 -18.803 1.00 71.11 H new ATOM 0 HA SER A 75 20.005 -12.379 -21.242 1.00 32.54 H new ATOM 0 HB2 SER A 75 20.414 -10.993 -18.536 1.00 41.12 H new ATOM 0 HB3 SER A 75 21.483 -10.877 -19.920 1.00 41.12 H new ATOM 0 HG SER A 75 18.782 -9.926 -19.730 1.00 34.53 H new ATOM 1227 N SER A 76 22.024 -13.529 -19.866 1.00 32.21 N ATOM 1228 CA SER A 76 22.963 -14.535 -19.335 1.00 14.54 C ATOM 1229 C SER A 76 23.166 -14.306 -17.818 1.00 21.24 C ATOM 1230 O SER A 76 23.996 -13.484 -17.405 1.00 71.14 O ATOM 1231 CB SER A 76 24.309 -14.445 -20.114 1.00 20.23 C ATOM 1232 OG SER A 76 25.256 -15.403 -19.667 1.00 5.53 O ATOM 0 H SER A 76 22.467 -12.836 -20.469 1.00 32.21 H new ATOM 0 HA SER A 76 22.558 -15.538 -19.471 1.00 14.54 H new ATOM 0 HB2 SER A 76 24.121 -14.592 -21.178 1.00 20.23 H new ATOM 0 HB3 SER A 76 24.726 -13.444 -20.000 1.00 20.23 H new ATOM 0 HG SER A 76 26.083 -15.311 -20.184 1.00 5.53 H new ATOM 1238 N THR A 77 22.356 -15.001 -16.998 1.00 11.34 N ATOM 1239 CA THR A 77 22.330 -14.832 -15.533 1.00 5.44 C ATOM 1240 C THR A 77 23.108 -15.989 -14.836 1.00 55.03 C ATOM 1241 O THR A 77 22.646 -17.141 -14.839 1.00 61.12 O ATOM 1242 CB THR A 77 20.836 -14.711 -15.034 1.00 11.33 C ATOM 1243 OG1 THR A 77 20.769 -14.589 -13.601 1.00 0.45 O ATOM 1244 CG2 THR A 77 19.937 -15.875 -15.508 1.00 73.13 C ATOM 0 H THR A 77 21.696 -15.701 -17.336 1.00 11.34 H new ATOM 0 HA THR A 77 22.838 -13.907 -15.260 1.00 5.44 H new ATOM 0 HB THR A 77 20.448 -13.800 -15.490 1.00 11.33 H new ATOM 0 HG1 THR A 77 19.832 -14.514 -13.322 1.00 0.45 H new ATOM 0 HG21 THR A 77 18.925 -15.730 -15.130 1.00 73.13 H new ATOM 0 HG22 THR A 77 19.918 -15.900 -16.598 1.00 73.13 H new ATOM 0 HG23 THR A 77 20.333 -16.818 -15.131 1.00 73.13 H new ATOM 1252 N PRO A 78 24.346 -15.714 -14.274 1.00 32.35 N ATOM 1253 CA PRO A 78 25.163 -16.745 -13.568 1.00 3.13 C ATOM 1254 C PRO A 78 24.459 -17.328 -12.321 1.00 72.15 C ATOM 1255 O PRO A 78 24.028 -16.580 -11.434 1.00 43.24 O ATOM 1256 CB PRO A 78 26.454 -15.981 -13.164 1.00 42.11 C ATOM 1257 CG PRO A 78 26.508 -14.801 -14.086 1.00 32.03 C ATOM 1258 CD PRO A 78 25.066 -14.406 -14.312 1.00 25.20 C ATOM 0 HA PRO A 78 25.347 -17.610 -14.206 1.00 3.13 H new ATOM 0 HB2 PRO A 78 26.417 -15.666 -12.121 1.00 42.11 H new ATOM 0 HB3 PRO A 78 27.337 -16.610 -13.276 1.00 42.11 H new ATOM 0 HG2 PRO A 78 27.076 -13.982 -13.644 1.00 32.03 H new ATOM 0 HG3 PRO A 78 26.998 -15.058 -15.025 1.00 32.03 H new ATOM 0 HD2 PRO A 78 24.708 -13.726 -13.538 1.00 25.20 H new ATOM 0 HD3 PRO A 78 24.932 -13.900 -15.268 1.00 25.20 H new ATOM 1266 N GLN A 79 24.359 -18.661 -12.267 1.00 33.13 N ATOM 1267 CA GLN A 79 23.735 -19.386 -11.144 1.00 0.13 C ATOM 1268 C GLN A 79 24.816 -20.018 -10.252 1.00 64.43 C ATOM 1269 O GLN A 79 25.876 -20.431 -10.742 1.00 60.03 O ATOM 1270 CB GLN A 79 22.796 -20.497 -11.678 1.00 34.21 C ATOM 1271 CG GLN A 79 21.678 -20.002 -12.626 1.00 2.33 C ATOM 1272 CD GLN A 79 20.730 -21.115 -13.083 1.00 72.33 C ATOM 1273 OE1 GLN A 79 21.106 -22.285 -13.167 1.00 11.55 O ATOM 1274 NE2 GLN A 79 19.502 -20.759 -13.421 1.00 1.50 N ATOM 0 H GLN A 79 24.709 -19.274 -13.003 1.00 33.13 H new ATOM 0 HA GLN A 79 23.154 -18.675 -10.557 1.00 0.13 H new ATOM 0 HB2 GLN A 79 23.397 -21.239 -12.204 1.00 34.21 H new ATOM 0 HB3 GLN A 79 22.336 -21.003 -10.829 1.00 34.21 H new ATOM 0 HG2 GLN A 79 21.100 -19.228 -12.121 1.00 2.33 H new ATOM 0 HG3 GLN A 79 22.133 -19.540 -13.502 1.00 2.33 H new ATOM 0 HE21 GLN A 79 19.214 -19.784 -13.343 1.00 1.50 H new ATOM 0 HE22 GLN A 79 18.843 -21.460 -13.760 1.00 1.50 H new ATOM 1283 N ALA A 80 24.539 -20.064 -8.941 1.00 11.31 N ATOM 1284 CA ALA A 80 25.334 -20.834 -7.967 1.00 51.42 C ATOM 1285 C ALA A 80 25.047 -22.347 -8.145 1.00 31.44 C ATOM 1286 O ALA A 80 23.920 -22.702 -8.532 1.00 60.11 O ATOM 1287 CB ALA A 80 24.999 -20.363 -6.532 1.00 45.13 C ATOM 0 H ALA A 80 23.753 -19.566 -8.522 1.00 11.31 H new ATOM 0 HA ALA A 80 26.397 -20.665 -8.139 1.00 51.42 H new ATOM 0 HB1 ALA A 80 25.588 -20.934 -5.815 1.00 45.13 H new ATOM 0 HB2 ALA A 80 25.234 -19.303 -6.433 1.00 45.13 H new ATOM 0 HB3 ALA A 80 23.938 -20.519 -6.336 1.00 45.13 H new ATOM 1293 N PRO A 81 26.047 -23.262 -7.881 1.00 11.54 N ATOM 1294 CA PRO A 81 25.857 -24.740 -8.026 1.00 55.11 C ATOM 1295 C PRO A 81 24.661 -25.257 -7.194 1.00 35.53 C ATOM 1296 O PRO A 81 24.459 -24.800 -6.058 1.00 44.21 O ATOM 1297 CB PRO A 81 27.210 -25.340 -7.522 1.00 51.21 C ATOM 1298 CG PRO A 81 27.869 -24.229 -6.750 1.00 44.15 C ATOM 1299 CD PRO A 81 27.440 -22.953 -7.443 1.00 33.52 C ATOM 0 HA PRO A 81 25.623 -25.028 -9.051 1.00 55.11 H new ATOM 0 HB2 PRO A 81 27.043 -26.213 -6.891 1.00 51.21 H new ATOM 0 HB3 PRO A 81 27.833 -25.664 -8.356 1.00 51.21 H new ATOM 0 HG2 PRO A 81 27.555 -24.235 -5.706 1.00 44.15 H new ATOM 0 HG3 PRO A 81 28.954 -24.335 -6.757 1.00 44.15 H new ATOM 0 HD2 PRO A 81 27.471 -22.097 -6.769 1.00 33.52 H new ATOM 0 HD3 PRO A 81 28.086 -22.716 -8.288 1.00 33.52 H new ATOM 1307 N VAL A 82 23.854 -26.171 -7.784 1.00 32.24 N ATOM 1308 CA VAL A 82 22.647 -26.716 -7.120 1.00 60.24 C ATOM 1309 C VAL A 82 23.030 -27.536 -5.865 1.00 71.50 C ATOM 1310 O VAL A 82 23.364 -28.727 -5.932 1.00 44.30 O ATOM 1311 CB VAL A 82 21.652 -27.519 -8.082 1.00 73.24 C ATOM 1312 CG1 VAL A 82 21.006 -26.574 -9.122 1.00 64.21 C ATOM 1313 CG2 VAL A 82 22.299 -28.744 -8.787 1.00 31.13 C ATOM 0 H VAL A 82 24.018 -26.546 -8.718 1.00 32.24 H new ATOM 0 HA VAL A 82 22.070 -25.846 -6.808 1.00 60.24 H new ATOM 0 HB VAL A 82 20.879 -27.924 -7.428 1.00 73.24 H new ATOM 0 HG11 VAL A 82 20.334 -27.144 -9.764 1.00 64.21 H new ATOM 0 HG12 VAL A 82 20.442 -25.796 -8.606 1.00 64.21 H new ATOM 0 HG13 VAL A 82 21.785 -26.115 -9.730 1.00 64.21 H new ATOM 0 HG21 VAL A 82 21.558 -29.233 -9.420 1.00 31.13 H new ATOM 0 HG22 VAL A 82 23.137 -28.411 -9.400 1.00 31.13 H new ATOM 0 HG23 VAL A 82 22.656 -29.449 -8.036 1.00 31.13 H new ATOM 1323 N SER A 83 23.041 -26.827 -4.724 1.00 24.14 N ATOM 1324 CA SER A 83 23.259 -27.404 -3.397 1.00 64.23 C ATOM 1325 C SER A 83 22.056 -28.278 -3.012 1.00 21.52 C ATOM 1326 O SER A 83 20.900 -27.928 -3.303 1.00 54.30 O ATOM 1327 CB SER A 83 23.469 -26.273 -2.369 1.00 61.11 C ATOM 1328 OG SER A 83 22.438 -25.302 -2.473 1.00 64.23 O ATOM 0 H SER A 83 22.895 -25.818 -4.703 1.00 24.14 H new ATOM 0 HA SER A 83 24.151 -28.030 -3.408 1.00 64.23 H new ATOM 0 HB2 SER A 83 23.483 -26.689 -1.361 1.00 61.11 H new ATOM 0 HB3 SER A 83 24.438 -25.801 -2.533 1.00 61.11 H new ATOM 0 HG SER A 83 22.588 -24.594 -1.812 1.00 64.23 H new ATOM 1334 N LYS A 84 22.334 -29.399 -2.359 1.00 1.24 N ATOM 1335 CA LYS A 84 21.332 -30.427 -2.062 1.00 23.41 C ATOM 1336 C LYS A 84 21.518 -30.949 -0.636 1.00 40.12 C ATOM 1337 O LYS A 84 22.642 -31.004 -0.121 1.00 14.23 O ATOM 1338 CB LYS A 84 21.460 -31.591 -3.087 1.00 52.30 C ATOM 1339 CG LYS A 84 22.881 -32.217 -3.180 1.00 14.22 C ATOM 1340 CD LYS A 84 22.938 -33.467 -4.082 1.00 12.03 C ATOM 1341 CE LYS A 84 22.032 -34.602 -3.579 1.00 13.32 C ATOM 1342 NZ LYS A 84 22.084 -35.790 -4.470 1.00 31.23 N ATOM 0 H LYS A 84 23.267 -29.627 -2.016 1.00 1.24 H new ATOM 0 HA LYS A 84 20.336 -29.992 -2.142 1.00 23.41 H new ATOM 0 HB2 LYS A 84 20.749 -32.373 -2.820 1.00 52.30 H new ATOM 0 HB3 LYS A 84 21.174 -31.223 -4.072 1.00 52.30 H new ATOM 0 HG2 LYS A 84 23.576 -31.469 -3.562 1.00 14.22 H new ATOM 0 HG3 LYS A 84 23.219 -32.484 -2.179 1.00 14.22 H new ATOM 0 HD2 LYS A 84 22.642 -33.193 -5.095 1.00 12.03 H new ATOM 0 HD3 LYS A 84 23.966 -33.825 -4.136 1.00 12.03 H new ATOM 0 HE2 LYS A 84 22.336 -34.890 -2.573 1.00 13.32 H new ATOM 0 HE3 LYS A 84 21.005 -34.244 -3.512 1.00 13.32 H new ATOM 0 HZ1 LYS A 84 21.459 -36.532 -4.096 1.00 31.23 H new ATOM 0 HZ2 LYS A 84 21.770 -35.522 -5.425 1.00 31.23 H new ATOM 0 HZ3 LYS A 84 23.059 -36.148 -4.514 1.00 31.23 H new ATOM 1356 N ARG A 85 20.402 -31.334 -0.009 1.00 14.32 N ATOM 1357 CA ARG A 85 20.418 -32.033 1.269 1.00 55.43 C ATOM 1358 C ARG A 85 20.846 -33.478 0.987 1.00 33.21 C ATOM 1359 O ARG A 85 20.067 -34.259 0.425 1.00 35.24 O ATOM 1360 CB ARG A 85 19.028 -31.940 1.947 1.00 20.33 C ATOM 1361 CG ARG A 85 18.952 -32.571 3.358 1.00 33.55 C ATOM 1362 CD ARG A 85 17.625 -32.257 4.072 1.00 55.24 C ATOM 1363 NE ARG A 85 17.434 -30.797 4.262 1.00 42.44 N ATOM 1364 CZ ARG A 85 16.321 -30.101 3.954 1.00 11.21 C ATOM 1365 NH1 ARG A 85 15.245 -30.702 3.445 1.00 5.51 N ATOM 1366 NH2 ARG A 85 16.292 -28.790 4.167 1.00 65.20 N ATOM 0 H ARG A 85 19.465 -31.168 -0.377 1.00 14.32 H new ATOM 0 HA ARG A 85 21.123 -31.582 1.968 1.00 55.43 H new ATOM 0 HB2 ARG A 85 18.743 -30.890 2.018 1.00 20.33 H new ATOM 0 HB3 ARG A 85 18.293 -32.427 1.306 1.00 20.33 H new ATOM 0 HG2 ARG A 85 19.070 -33.651 3.276 1.00 33.55 H new ATOM 0 HG3 ARG A 85 19.782 -32.204 3.962 1.00 33.55 H new ATOM 0 HD2 ARG A 85 16.795 -32.660 3.491 1.00 55.24 H new ATOM 0 HD3 ARG A 85 17.607 -32.755 5.041 1.00 55.24 H new ATOM 0 HE ARG A 85 18.214 -30.274 4.661 1.00 42.44 H new ATOM 0 HH11 ARG A 85 15.253 -31.709 3.281 1.00 5.51 H new ATOM 0 HH12 ARG A 85 14.414 -30.155 3.220 1.00 5.51 H new ATOM 0 HH21 ARG A 85 17.107 -28.319 4.560 1.00 65.20 H new ATOM 0 HH22 ARG A 85 15.455 -28.254 3.937 1.00 65.20 H new ATOM 1380 N ARG A 86 22.130 -33.773 1.300 1.00 21.40 N ATOM 1381 CA ARG A 86 22.790 -35.048 0.981 1.00 10.32 C ATOM 1382 C ARG A 86 22.002 -36.229 1.581 1.00 25.32 C ATOM 1383 O ARG A 86 22.045 -36.464 2.796 1.00 13.43 O ATOM 1384 CB ARG A 86 24.255 -35.047 1.520 1.00 25.32 C ATOM 1385 CG ARG A 86 25.116 -36.270 1.107 1.00 64.34 C ATOM 1386 CD ARG A 86 26.477 -36.315 1.835 1.00 31.33 C ATOM 1387 NE ARG A 86 26.324 -36.535 3.294 1.00 1.44 N ATOM 1388 CZ ARG A 86 27.006 -35.900 4.265 1.00 13.22 C ATOM 1389 NH1 ARG A 86 27.933 -34.979 3.979 1.00 64.51 N ATOM 1390 NH2 ARG A 86 26.755 -36.197 5.536 1.00 21.14 N ATOM 0 H ARG A 86 22.740 -33.118 1.789 1.00 21.40 H new ATOM 0 HA ARG A 86 22.815 -35.163 -0.103 1.00 10.32 H new ATOM 0 HB2 ARG A 86 24.751 -34.141 1.173 1.00 25.32 H new ATOM 0 HB3 ARG A 86 24.224 -34.997 2.608 1.00 25.32 H new ATOM 0 HG2 ARG A 86 24.564 -37.186 1.320 1.00 64.34 H new ATOM 0 HG3 ARG A 86 25.285 -36.243 0.031 1.00 64.34 H new ATOM 0 HD2 ARG A 86 27.088 -37.112 1.411 1.00 31.33 H new ATOM 0 HD3 ARG A 86 27.010 -35.380 1.664 1.00 31.33 H new ATOM 0 HE ARG A 86 25.639 -37.231 3.588 1.00 1.44 H new ATOM 0 HH11 ARG A 86 28.136 -34.744 3.007 1.00 64.51 H new ATOM 0 HH12 ARG A 86 28.437 -34.511 4.733 1.00 64.51 H new ATOM 0 HH21 ARG A 86 26.052 -36.899 5.766 1.00 21.14 H new ATOM 0 HH22 ARG A 86 27.265 -35.723 6.281 1.00 21.14 H new ATOM 1404 N ALA A 87 21.232 -36.918 0.721 1.00 55.12 N ATOM 1405 CA ALA A 87 20.453 -38.102 1.104 1.00 34.24 C ATOM 1406 C ALA A 87 21.366 -39.332 1.220 1.00 74.43 C ATOM 1407 O ALA A 87 22.384 -39.435 0.512 1.00 64.30 O ATOM 1408 CB ALA A 87 19.317 -38.358 0.101 1.00 1.10 C ATOM 0 H ALA A 87 21.134 -36.666 -0.263 1.00 55.12 H new ATOM 0 HA ALA A 87 20.004 -37.915 2.079 1.00 34.24 H new ATOM 0 HB1 ALA A 87 18.754 -39.240 0.406 1.00 1.10 H new ATOM 0 HB2 ALA A 87 18.652 -37.494 0.076 1.00 1.10 H new ATOM 0 HB3 ALA A 87 19.738 -38.521 -0.891 1.00 1.10 H new ATOM 1414 N ALA A 88 21.004 -40.238 2.138 1.00 1.43 N ATOM 1415 CA ALA A 88 21.740 -41.484 2.380 1.00 3.41 C ATOM 1416 C ALA A 88 21.495 -42.481 1.217 1.00 64.44 C ATOM 1417 O ALA A 88 20.380 -43.035 1.122 1.00 5.23 O ATOM 1418 CB ALA A 88 21.340 -42.075 3.746 1.00 33.00 C ATOM 1419 OXT ALA A 88 22.407 -42.685 0.388 1.00 37.66 O ATOM 0 H ALA A 88 20.186 -40.125 2.737 1.00 1.43 H new ATOM 0 HA ALA A 88 22.810 -41.278 2.413 1.00 3.41 H new ATOM 0 HB1 ALA A 88 21.891 -43.000 3.918 1.00 33.00 H new ATOM 0 HB2 ALA A 88 21.576 -41.360 4.535 1.00 33.00 H new ATOM 0 HB3 ALA A 88 20.270 -42.283 3.753 1.00 33.00 H new TER 1425 ALA A 88