USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 149:sc= 0.105 (180deg=-0.307) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=-7.35e-06 USER MOD Single : A 17 ASN : amide:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc=-0.00987 (180deg=-0.161) USER MOD Single : A 23 ASN : amide:sc= -0.388 K(o=-0.39,f=0.38) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 64:sc= 0.102 USER MOD Single : A 37 ASN : amide:sc= -1.63 K(o=-1.6,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -38:sc= 0.128 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.434 -2.633 -1.049 1.00 31.11 N ATOM 2 CA ASP A 1 2.501 -1.889 -2.301 1.00 72.24 C ATOM 3 C ASP A 1 2.074 -0.439 -2.096 1.00 35.23 C ATOM 4 O ASP A 1 0.896 -0.104 -2.228 1.00 23.13 O ATOM 5 CB ASP A 1 1.616 -2.550 -3.359 1.00 55.44 C ATOM 6 CG ASP A 1 0.328 -3.099 -2.776 1.00 64.15 C ATOM 7 OD1 ASP A 1 0.357 -4.221 -2.230 1.00 32.23 O ATOM 8 OD2 ASP A 1 -0.708 -2.407 -2.868 1.00 24.32 O ATOM 0 H1 ASP A 1 2.206 -3.628 -1.248 1.00 31.11 H new ATOM 0 H2 ASP A 1 3.352 -2.578 -0.563 1.00 31.11 H new ATOM 0 H3 ASP A 1 1.696 -2.224 -0.441 1.00 31.11 H new ATOM 0 HA ASP A 1 3.535 -1.898 -2.646 1.00 72.24 H new ATOM 0 HB2 ASP A 1 1.379 -1.823 -4.136 1.00 55.44 H new ATOM 0 HB3 ASP A 1 2.169 -3.359 -3.837 1.00 55.44 H new ATOM 13 N ARG A 2 3.038 0.416 -1.771 1.00 34.01 N ATOM 14 CA ARG A 2 2.761 1.829 -1.545 1.00 13.44 C ATOM 15 C ARG A 2 3.200 2.668 -2.741 1.00 60.25 C ATOM 16 O ARG A 2 2.557 3.659 -3.087 1.00 60.51 O ATOM 17 CB ARG A 2 3.472 2.314 -0.280 1.00 41.21 C ATOM 18 CG ARG A 2 2.535 2.553 0.892 1.00 32.14 C ATOM 19 CD ARG A 2 1.761 3.852 0.731 1.00 33.24 C ATOM 20 NE ARG A 2 0.349 3.615 0.441 1.00 0.43 N ATOM 21 CZ ARG A 2 -0.511 3.124 1.327 1.00 40.44 C ATOM 22 NH1 ARG A 2 -0.105 2.820 2.552 1.00 72.04 N ATOM 23 NH2 ARG A 2 -1.780 2.937 0.987 1.00 11.54 N ATOM 0 H ARG A 2 4.018 0.155 -1.658 1.00 34.01 H new ATOM 0 HA ARG A 2 1.685 1.946 -1.417 1.00 13.44 H new ATOM 0 HB2 ARG A 2 4.222 1.578 0.010 1.00 41.21 H new ATOM 0 HB3 ARG A 2 4.003 3.239 -0.504 1.00 41.21 H new ATOM 0 HG2 ARG A 2 1.837 1.720 0.977 1.00 32.14 H new ATOM 0 HG3 ARG A 2 3.109 2.583 1.818 1.00 32.14 H new ATOM 0 HD2 ARG A 2 1.850 4.442 1.643 1.00 33.24 H new ATOM 0 HD3 ARG A 2 2.203 4.440 -0.074 1.00 33.24 H new ATOM 0 HE ARG A 2 0.004 3.839 -0.493 1.00 0.43 H new ATOM 0 HH11 ARG A 2 0.870 2.963 2.816 1.00 72.04 H new ATOM 0 HH12 ARG A 2 -0.767 2.443 3.230 1.00 72.04 H new ATOM 0 HH21 ARG A 2 -2.095 3.170 0.045 1.00 11.54 H new ATOM 0 HH22 ARG A 2 -2.440 2.560 1.667 1.00 11.54 H new ATOM 37 N MET A 3 4.299 2.263 -3.369 1.00 45.41 N ATOM 38 CA MET A 3 4.824 2.977 -4.527 1.00 41.35 C ATOM 39 C MET A 3 4.365 2.320 -5.825 1.00 32.20 C ATOM 40 O MET A 3 5.089 2.316 -6.820 1.00 22.43 O ATOM 41 CB MET A 3 6.353 3.021 -4.477 1.00 75.13 C ATOM 42 CG MET A 3 6.899 4.039 -3.490 1.00 43.20 C ATOM 43 SD MET A 3 8.270 4.995 -4.166 1.00 42.53 S ATOM 44 CE MET A 3 9.635 4.368 -3.190 1.00 54.30 C ATOM 0 H MET A 3 4.843 1.445 -3.096 1.00 45.41 H new ATOM 0 HA MET A 3 4.438 3.996 -4.499 1.00 41.35 H new ATOM 0 HB2 MET A 3 6.728 2.033 -4.212 1.00 75.13 H new ATOM 0 HB3 MET A 3 6.735 3.251 -5.472 1.00 75.13 H new ATOM 0 HG2 MET A 3 6.099 4.718 -3.194 1.00 43.20 H new ATOM 0 HG3 MET A 3 7.230 3.524 -2.588 1.00 43.20 H new ATOM 0 HE1 MET A 3 10.557 4.865 -3.492 1.00 54.30 H new ATOM 0 HE2 MET A 3 9.447 4.563 -2.134 1.00 54.30 H new ATOM 0 HE3 MET A 3 9.733 3.294 -3.349 1.00 54.30 H new ATOM 54 N ALA A 4 3.157 1.765 -5.807 1.00 23.11 N ATOM 55 CA ALA A 4 2.602 1.106 -6.982 1.00 54.35 C ATOM 56 C ALA A 4 1.091 0.942 -6.857 1.00 32.22 C ATOM 57 O ALA A 4 0.504 0.039 -7.453 1.00 14.24 O ATOM 58 CB ALA A 4 3.266 -0.246 -7.193 1.00 60.13 C ATOM 0 H ALA A 4 2.545 1.759 -4.991 1.00 23.11 H new ATOM 0 HA ALA A 4 2.802 1.735 -7.849 1.00 54.35 H new ATOM 0 HB1 ALA A 4 2.841 -0.726 -8.074 1.00 60.13 H new ATOM 0 HB2 ALA A 4 4.337 -0.107 -7.337 1.00 60.13 H new ATOM 0 HB3 ALA A 4 3.096 -0.875 -6.319 1.00 60.13 H new ATOM 64 N ALA A 5 0.467 1.819 -6.077 1.00 45.21 N ATOM 65 CA ALA A 5 -0.975 1.771 -5.875 1.00 12.45 C ATOM 66 C ALA A 5 -1.722 2.027 -7.179 1.00 44.25 C ATOM 67 O ALA A 5 -1.178 2.580 -8.136 1.00 3.03 O ATOM 68 CB ALA A 5 -1.394 2.783 -4.818 1.00 4.10 C ATOM 0 H ALA A 5 0.938 2.571 -5.575 1.00 45.21 H new ATOM 0 HA ALA A 5 -1.234 0.771 -5.529 1.00 12.45 H new ATOM 0 HB1 ALA A 5 -2.474 2.736 -4.677 1.00 4.10 H new ATOM 0 HB2 ALA A 5 -0.895 2.553 -3.876 1.00 4.10 H new ATOM 0 HB3 ALA A 5 -1.113 3.785 -5.142 1.00 4.10 H new ATOM 74 N PRO A 6 -2.997 1.616 -7.223 1.00 34.42 N ATOM 75 CA PRO A 6 -3.846 1.790 -8.406 1.00 24.43 C ATOM 76 C PRO A 6 -4.206 3.251 -8.651 1.00 20.13 C ATOM 77 O PRO A 6 -4.348 4.031 -7.709 1.00 54.12 O ATOM 78 CB PRO A 6 -5.099 0.979 -8.066 1.00 10.43 C ATOM 79 CG PRO A 6 -5.143 0.957 -6.577 1.00 31.22 C ATOM 80 CD PRO A 6 -3.710 0.949 -6.120 1.00 55.21 C ATOM 0 HA PRO A 6 -3.346 1.464 -9.318 1.00 24.43 H new ATOM 0 HB2 PRO A 6 -5.994 1.441 -8.482 1.00 10.43 H new ATOM 0 HB3 PRO A 6 -5.041 -0.030 -8.475 1.00 10.43 H new ATOM 0 HG2 PRO A 6 -5.671 1.828 -6.189 1.00 31.22 H new ATOM 0 HG3 PRO A 6 -5.673 0.076 -6.215 1.00 31.22 H new ATOM 0 HD2 PRO A 6 -3.585 1.484 -5.179 1.00 55.21 H new ATOM 0 HD3 PRO A 6 -3.345 -0.065 -5.960 1.00 55.21 H new ATOM 88 N ARG A 7 -4.353 3.614 -9.921 1.00 4.54 N ATOM 89 CA ARG A 7 -4.696 4.983 -10.289 1.00 22.32 C ATOM 90 C ARG A 7 -4.950 5.094 -11.789 1.00 52.51 C ATOM 91 O ARG A 7 -4.217 4.525 -12.597 1.00 75.40 O ATOM 92 CB ARG A 7 -3.576 5.940 -9.878 1.00 2.32 C ATOM 93 CG ARG A 7 -2.185 5.433 -10.220 1.00 25.34 C ATOM 94 CD ARG A 7 -1.262 6.570 -10.629 1.00 64.21 C ATOM 95 NE ARG A 7 0.109 6.352 -10.175 1.00 44.43 N ATOM 96 CZ ARG A 7 1.101 7.209 -10.395 1.00 72.23 C ATOM 97 NH1 ARG A 7 0.874 8.334 -11.059 1.00 2.13 N ATOM 98 NH2 ARG A 7 2.322 6.940 -9.951 1.00 12.44 N ATOM 0 H ARG A 7 -4.240 2.980 -10.712 1.00 4.54 H new ATOM 0 HA ARG A 7 -5.610 5.257 -9.762 1.00 22.32 H new ATOM 0 HB2 ARG A 7 -3.733 6.901 -10.367 1.00 2.32 H new ATOM 0 HB3 ARG A 7 -3.636 6.115 -8.804 1.00 2.32 H new ATOM 0 HG2 ARG A 7 -1.764 4.913 -9.359 1.00 25.34 H new ATOM 0 HG3 ARG A 7 -2.250 4.707 -11.030 1.00 25.34 H new ATOM 0 HD2 ARG A 7 -1.273 6.673 -11.714 1.00 64.21 H new ATOM 0 HD3 ARG A 7 -1.636 7.507 -10.216 1.00 64.21 H new ATOM 0 HE ARG A 7 0.317 5.496 -9.661 1.00 44.43 H new ATOM 0 HH11 ARG A 7 -0.063 8.543 -11.402 1.00 2.13 H new ATOM 0 HH12 ARG A 7 1.637 8.990 -11.227 1.00 2.13 H new ATOM 0 HH21 ARG A 7 2.500 6.075 -9.440 1.00 12.44 H new ATOM 0 HH22 ARG A 7 3.083 7.598 -10.120 1.00 12.44 H new ATOM 112 N ALA A 8 -5.994 5.832 -12.154 1.00 3.32 N ATOM 113 CA ALA A 8 -6.344 6.020 -13.556 1.00 62.13 C ATOM 114 C ALA A 8 -6.489 7.500 -13.892 1.00 53.25 C ATOM 115 O ALA A 8 -7.191 8.237 -13.200 1.00 23.31 O ATOM 116 CB ALA A 8 -7.629 5.274 -13.884 1.00 25.50 C ATOM 0 H ALA A 8 -6.612 6.309 -11.497 1.00 3.32 H new ATOM 0 HA ALA A 8 -5.536 5.614 -14.164 1.00 62.13 H new ATOM 0 HB1 ALA A 8 -7.878 5.423 -14.935 1.00 25.50 H new ATOM 0 HB2 ALA A 8 -7.491 4.210 -13.691 1.00 25.50 H new ATOM 0 HB3 ALA A 8 -8.439 5.654 -13.261 1.00 25.50 H new ATOM 122 N GLU A 9 -5.821 7.929 -14.959 1.00 74.41 N ATOM 123 CA GLU A 9 -5.876 9.322 -15.385 1.00 12.11 C ATOM 124 C GLU A 9 -7.153 9.600 -16.173 1.00 41.31 C ATOM 125 O GLU A 9 -7.385 9.009 -17.227 1.00 54.32 O ATOM 126 CB GLU A 9 -4.653 9.667 -16.237 1.00 23.24 C ATOM 127 CG GLU A 9 -4.713 11.053 -16.856 1.00 0.14 C ATOM 128 CD GLU A 9 -3.541 11.333 -17.776 1.00 24.50 C ATOM 129 OE1 GLU A 9 -2.657 10.458 -17.895 1.00 13.13 O ATOM 130 OE2 GLU A 9 -3.507 12.426 -18.378 1.00 13.42 O ATOM 0 H GLU A 9 -5.236 7.332 -15.543 1.00 74.41 H new ATOM 0 HA GLU A 9 -5.876 9.948 -14.493 1.00 12.11 H new ATOM 0 HB2 GLU A 9 -3.758 9.593 -15.619 1.00 23.24 H new ATOM 0 HB3 GLU A 9 -4.554 8.928 -17.032 1.00 23.24 H new ATOM 0 HG2 GLU A 9 -5.642 11.157 -17.416 1.00 0.14 H new ATOM 0 HG3 GLU A 9 -4.734 11.800 -16.063 1.00 0.14 H new ATOM 137 N ALA A 10 -7.977 10.504 -15.653 1.00 51.03 N ATOM 138 CA ALA A 10 -9.229 10.862 -16.308 1.00 52.10 C ATOM 139 C ALA A 10 -8.984 11.355 -17.730 1.00 63.11 C ATOM 140 O ALA A 10 -8.394 12.417 -17.937 1.00 74.42 O ATOM 141 CB ALA A 10 -9.963 11.922 -15.500 1.00 33.44 C ATOM 0 H ALA A 10 -7.800 11.002 -14.780 1.00 51.03 H new ATOM 0 HA ALA A 10 -9.850 9.968 -16.363 1.00 52.10 H new ATOM 0 HB1 ALA A 10 -10.896 12.180 -16.001 1.00 33.44 H new ATOM 0 HB2 ALA A 10 -10.180 11.535 -14.504 1.00 33.44 H new ATOM 0 HB3 ALA A 10 -9.339 12.812 -15.415 1.00 33.44 H new ATOM 147 N LEU A 11 -9.438 10.578 -18.707 1.00 71.01 N ATOM 148 CA LEU A 11 -9.267 10.935 -20.111 1.00 51.31 C ATOM 149 C LEU A 11 -10.215 12.063 -20.505 1.00 55.13 C ATOM 150 O LEU A 11 -9.978 12.775 -21.481 1.00 54.04 O ATOM 151 CB LEU A 11 -9.509 9.715 -21.001 1.00 54.24 C ATOM 152 CG LEU A 11 -8.553 8.539 -20.803 1.00 22.12 C ATOM 153 CD1 LEU A 11 -8.791 7.473 -21.861 1.00 32.44 C ATOM 154 CD2 LEU A 11 -7.108 9.015 -20.839 1.00 22.44 C ATOM 0 H LEU A 11 -9.927 9.696 -18.553 1.00 71.01 H new ATOM 0 HA LEU A 11 -8.243 11.281 -20.251 1.00 51.31 H new ATOM 0 HB2 LEU A 11 -10.526 9.363 -20.831 1.00 54.24 H new ATOM 0 HB3 LEU A 11 -9.451 10.033 -22.042 1.00 54.24 H new ATOM 0 HG LEU A 11 -8.746 8.100 -19.824 1.00 22.12 H new ATOM 0 HD11 LEU A 11 -8.101 6.644 -21.704 1.00 32.44 H new ATOM 0 HD12 LEU A 11 -9.816 7.111 -21.788 1.00 32.44 H new ATOM 0 HD13 LEU A 11 -8.626 7.899 -22.851 1.00 32.44 H new ATOM 0 HD21 LEU A 11 -6.441 8.165 -20.696 1.00 22.44 H new ATOM 0 HD22 LEU A 11 -6.902 9.480 -21.803 1.00 22.44 H new ATOM 0 HD23 LEU A 11 -6.944 9.742 -20.043 1.00 22.44 H new ATOM 166 N PHE A 12 -11.289 12.221 -19.739 1.00 13.44 N ATOM 167 CA PHE A 12 -12.273 13.264 -20.007 1.00 33.41 C ATOM 168 C PHE A 12 -12.863 13.803 -18.707 1.00 23.33 C ATOM 169 O PHE A 12 -12.463 13.396 -17.616 1.00 21.13 O ATOM 170 CB PHE A 12 -13.391 12.722 -20.901 1.00 22.24 C ATOM 171 CG PHE A 12 -12.900 12.181 -22.213 1.00 42.41 C ATOM 172 CD1 PHE A 12 -12.760 13.014 -23.312 1.00 14.33 C ATOM 173 CD2 PHE A 12 -12.577 10.841 -22.348 1.00 72.24 C ATOM 174 CE1 PHE A 12 -12.310 12.519 -24.521 1.00 4.33 C ATOM 175 CE2 PHE A 12 -12.125 10.340 -23.555 1.00 14.10 C ATOM 176 CZ PHE A 12 -11.991 11.181 -24.642 1.00 65.13 C ATOM 0 H PHE A 12 -11.500 11.640 -18.928 1.00 13.44 H new ATOM 0 HA PHE A 12 -11.768 14.081 -20.522 1.00 33.41 H new ATOM 0 HB2 PHE A 12 -13.922 11.933 -20.368 1.00 22.24 H new ATOM 0 HB3 PHE A 12 -14.111 13.518 -21.092 1.00 22.24 H new ATOM 0 HD1 PHE A 12 -13.005 14.062 -23.222 1.00 14.33 H new ATOM 0 HD2 PHE A 12 -12.679 10.179 -21.500 1.00 72.24 H new ATOM 0 HE1 PHE A 12 -12.208 13.178 -25.371 1.00 4.33 H new ATOM 0 HE2 PHE A 12 -11.877 9.293 -23.647 1.00 14.10 H new ATOM 0 HZ PHE A 12 -11.637 10.793 -25.586 1.00 65.13 H new ATOM 186 N ASP A 13 -13.815 14.721 -18.832 1.00 23.31 N ATOM 187 CA ASP A 13 -14.460 15.316 -17.668 1.00 14.22 C ATOM 188 C ASP A 13 -15.750 14.577 -17.324 1.00 61.02 C ATOM 189 O ASP A 13 -16.697 14.561 -18.111 1.00 21.42 O ATOM 190 CB ASP A 13 -14.758 16.794 -17.923 1.00 50.55 C ATOM 191 CG ASP A 13 -13.690 17.463 -18.766 1.00 63.35 C ATOM 192 OD1 ASP A 13 -13.671 17.231 -19.994 1.00 1.32 O ATOM 193 OD2 ASP A 13 -12.873 18.218 -18.199 1.00 70.22 O ATOM 0 H ASP A 13 -14.157 15.069 -19.728 1.00 23.31 H new ATOM 0 HA ASP A 13 -13.777 15.231 -16.823 1.00 14.22 H new ATOM 0 HB2 ASP A 13 -15.722 16.886 -18.423 1.00 50.55 H new ATOM 0 HB3 ASP A 13 -14.843 17.314 -16.969 1.00 50.55 H new ATOM 198 N PHE A 14 -15.779 13.965 -16.145 1.00 1.32 N ATOM 199 CA PHE A 14 -16.951 13.222 -15.698 1.00 13.23 C ATOM 200 C PHE A 14 -17.718 14.004 -14.635 1.00 52.12 C ATOM 201 O PHE A 14 -17.148 14.834 -13.925 1.00 74.42 O ATOM 202 CB PHE A 14 -16.536 11.858 -15.143 1.00 2.35 C ATOM 203 CG PHE A 14 -17.698 10.963 -14.820 1.00 1.25 C ATOM 204 CD1 PHE A 14 -18.677 10.708 -15.766 1.00 40.11 C ATOM 205 CD2 PHE A 14 -17.811 10.377 -13.569 1.00 14.40 C ATOM 206 CE1 PHE A 14 -19.748 9.885 -15.472 1.00 65.42 C ATOM 207 CE2 PHE A 14 -18.879 9.553 -13.270 1.00 33.24 C ATOM 208 CZ PHE A 14 -19.849 9.307 -14.222 1.00 12.12 C ATOM 0 H PHE A 14 -15.004 13.969 -15.482 1.00 1.32 H new ATOM 0 HA PHE A 14 -17.605 13.073 -16.557 1.00 13.23 H new ATOM 0 HB2 PHE A 14 -15.895 11.359 -15.869 1.00 2.35 H new ATOM 0 HB3 PHE A 14 -15.941 12.007 -14.242 1.00 2.35 H new ATOM 0 HD1 PHE A 14 -18.603 11.158 -16.745 1.00 40.11 H new ATOM 0 HD2 PHE A 14 -17.056 10.566 -12.820 1.00 14.40 H new ATOM 0 HE1 PHE A 14 -20.505 9.694 -16.219 1.00 65.42 H new ATOM 0 HE2 PHE A 14 -18.955 9.101 -12.292 1.00 33.24 H new ATOM 0 HZ PHE A 14 -20.685 8.664 -13.989 1.00 12.12 H new ATOM 218 N THR A 15 -19.016 13.734 -14.532 1.00 1.23 N ATOM 219 CA THR A 15 -19.862 14.412 -13.558 1.00 54.43 C ATOM 220 C THR A 15 -20.996 13.507 -13.090 1.00 25.14 C ATOM 221 O THR A 15 -22.091 13.526 -13.650 1.00 3.13 O ATOM 222 CB THR A 15 -20.462 15.707 -14.140 1.00 62.41 C ATOM 223 OG1 THR A 15 -19.413 16.582 -14.570 1.00 14.23 O ATOM 224 CG2 THR A 15 -21.329 16.413 -13.109 1.00 24.13 C ATOM 0 H THR A 15 -19.504 13.051 -15.111 1.00 1.23 H new ATOM 0 HA THR A 15 -19.227 14.663 -12.709 1.00 54.43 H new ATOM 0 HB THR A 15 -21.086 15.441 -14.994 1.00 62.41 H new ATOM 0 HG1 THR A 15 -19.802 17.402 -14.940 1.00 14.23 H new ATOM 0 HG21 THR A 15 -21.741 17.324 -13.543 1.00 24.13 H new ATOM 0 HG22 THR A 15 -22.143 15.755 -12.806 1.00 24.13 H new ATOM 0 HG23 THR A 15 -20.725 16.667 -12.238 1.00 24.13 H new ATOM 232 N GLY A 16 -20.725 12.714 -12.057 1.00 61.21 N ATOM 233 CA GLY A 16 -21.733 11.812 -11.530 1.00 44.22 C ATOM 234 C GLY A 16 -23.015 12.530 -11.158 1.00 21.22 C ATOM 235 O GLY A 16 -23.091 13.756 -11.228 1.00 24.30 O ATOM 0 H GLY A 16 -19.826 12.680 -11.576 1.00 61.21 H new ATOM 0 HA2 GLY A 16 -21.952 11.044 -12.272 1.00 44.22 H new ATOM 0 HA3 GLY A 16 -21.337 11.303 -10.651 1.00 44.22 H new ATOM 239 N ASN A 17 -24.026 11.764 -10.762 1.00 73.21 N ATOM 240 CA ASN A 17 -25.313 12.334 -10.379 1.00 41.24 C ATOM 241 C ASN A 17 -25.314 12.736 -8.908 1.00 4.33 C ATOM 242 O ASN A 17 -25.371 13.921 -8.577 1.00 70.42 O ATOM 243 CB ASN A 17 -26.438 11.332 -10.647 1.00 11.55 C ATOM 244 CG ASN A 17 -27.369 11.790 -11.753 1.00 64.33 C ATOM 245 OD1 ASN A 17 -27.497 11.129 -12.784 1.00 41.01 O ATOM 246 ND2 ASN A 17 -28.023 12.926 -11.544 1.00 12.01 N ATOM 0 H ASN A 17 -23.979 10.747 -10.698 1.00 73.21 H new ATOM 0 HA ASN A 17 -25.480 13.227 -10.981 1.00 41.24 H new ATOM 0 HB2 ASN A 17 -26.006 10.368 -10.916 1.00 11.55 H new ATOM 0 HB3 ASN A 17 -27.011 11.181 -9.733 1.00 11.55 H new ATOM 0 HD21 ASN A 17 -28.663 13.284 -12.253 1.00 12.01 H new ATOM 0 HD22 ASN A 17 -27.886 13.441 -10.674 1.00 12.01 H new ATOM 253 N SER A 18 -25.249 11.742 -8.028 1.00 63.22 N ATOM 254 CA SER A 18 -25.245 11.991 -6.591 1.00 50.04 C ATOM 255 C SER A 18 -23.902 11.609 -5.977 1.00 45.53 C ATOM 256 O SER A 18 -22.937 11.329 -6.689 1.00 70.23 O ATOM 257 CB SER A 18 -26.370 11.206 -5.913 1.00 42.34 C ATOM 258 OG SER A 18 -27.174 12.056 -5.113 1.00 25.31 O ATOM 0 H SER A 18 -25.198 10.756 -8.285 1.00 63.22 H new ATOM 0 HA SER A 18 -25.408 13.057 -6.432 1.00 50.04 H new ATOM 0 HB2 SER A 18 -26.988 10.722 -6.670 1.00 42.34 H new ATOM 0 HB3 SER A 18 -25.945 10.415 -5.295 1.00 42.34 H new ATOM 0 HG SER A 18 -27.887 11.531 -4.692 1.00 25.31 H new ATOM 264 N LYS A 19 -23.846 11.601 -4.650 1.00 0.42 N ATOM 265 CA LYS A 19 -22.623 11.254 -3.937 1.00 24.42 C ATOM 266 C LYS A 19 -22.104 9.889 -4.379 1.00 73.13 C ATOM 267 O LYS A 19 -20.900 9.697 -4.553 1.00 1.41 O ATOM 268 CB LYS A 19 -22.871 11.251 -2.427 1.00 10.52 C ATOM 269 CG LYS A 19 -21.687 10.752 -1.616 1.00 55.04 C ATOM 270 CD LYS A 19 -21.900 9.325 -1.140 1.00 72.10 C ATOM 271 CE LYS A 19 -20.838 8.909 -0.133 1.00 54.24 C ATOM 272 NZ LYS A 19 -19.462 9.112 -0.664 1.00 23.03 N ATOM 0 H LYS A 19 -24.635 11.831 -4.046 1.00 0.42 H new ATOM 0 HA LYS A 19 -21.869 12.005 -4.174 1.00 24.42 H new ATOM 0 HB2 LYS A 19 -23.120 12.263 -2.106 1.00 10.52 H new ATOM 0 HB3 LYS A 19 -23.738 10.626 -2.211 1.00 10.52 H new ATOM 0 HG2 LYS A 19 -20.782 10.803 -2.222 1.00 55.04 H new ATOM 0 HG3 LYS A 19 -21.533 11.404 -0.756 1.00 55.04 H new ATOM 0 HD2 LYS A 19 -22.887 9.235 -0.687 1.00 72.10 H new ATOM 0 HD3 LYS A 19 -21.878 8.648 -1.994 1.00 72.10 H new ATOM 0 HE2 LYS A 19 -20.962 9.484 0.784 1.00 54.24 H new ATOM 0 HE3 LYS A 19 -20.976 7.860 0.128 1.00 54.24 H new ATOM 0 HZ1 LYS A 19 -18.774 8.664 -0.025 1.00 23.03 H new ATOM 0 HZ2 LYS A 19 -19.388 8.683 -1.609 1.00 23.03 H new ATOM 0 HZ3 LYS A 19 -19.262 10.130 -0.729 1.00 23.03 H new ATOM 286 N LEU A 20 -23.020 8.944 -4.562 1.00 11.14 N ATOM 287 CA LEU A 20 -22.655 7.597 -4.986 1.00 34.21 C ATOM 288 C LEU A 20 -21.845 7.633 -6.277 1.00 45.33 C ATOM 289 O LEU A 20 -21.030 6.748 -6.534 1.00 62.25 O ATOM 290 CB LEU A 20 -23.911 6.745 -5.183 1.00 10.54 C ATOM 291 CG LEU A 20 -24.433 6.022 -3.941 1.00 24.33 C ATOM 292 CD1 LEU A 20 -24.696 7.012 -2.817 1.00 24.02 C ATOM 293 CD2 LEU A 20 -25.695 5.239 -4.271 1.00 31.25 C ATOM 0 H LEU A 20 -24.021 9.086 -4.423 1.00 11.14 H new ATOM 0 HA LEU A 20 -22.039 7.152 -4.205 1.00 34.21 H new ATOM 0 HB2 LEU A 20 -24.705 7.387 -5.566 1.00 10.54 H new ATOM 0 HB3 LEU A 20 -23.704 6.001 -5.952 1.00 10.54 H new ATOM 0 HG LEU A 20 -23.670 5.319 -3.606 1.00 24.33 H new ATOM 0 HD11 LEU A 20 -25.067 6.479 -1.942 1.00 24.02 H new ATOM 0 HD12 LEU A 20 -23.770 7.528 -2.562 1.00 24.02 H new ATOM 0 HD13 LEU A 20 -25.440 7.740 -3.140 1.00 24.02 H new ATOM 0 HD21 LEU A 20 -26.052 4.731 -3.375 1.00 31.25 H new ATOM 0 HD22 LEU A 20 -26.464 5.923 -4.631 1.00 31.25 H new ATOM 0 HD23 LEU A 20 -25.474 4.502 -5.043 1.00 31.25 H new ATOM 305 N GLU A 21 -22.073 8.665 -7.084 1.00 64.24 N ATOM 306 CA GLU A 21 -21.362 8.817 -8.348 1.00 64.43 C ATOM 307 C GLU A 21 -20.237 9.840 -8.220 1.00 41.03 C ATOM 308 O GLU A 21 -20.451 10.959 -7.752 1.00 43.24 O ATOM 309 CB GLU A 21 -22.329 9.241 -9.455 1.00 42.33 C ATOM 310 CG GLU A 21 -23.487 8.278 -9.654 1.00 13.42 C ATOM 311 CD GLU A 21 -23.925 8.184 -11.102 1.00 74.44 C ATOM 312 OE1 GLU A 21 -23.843 9.206 -11.815 1.00 1.24 O ATOM 313 OE2 GLU A 21 -24.351 7.088 -11.524 1.00 23.23 O ATOM 0 H GLU A 21 -22.744 9.407 -6.885 1.00 64.24 H new ATOM 0 HA GLU A 21 -20.925 7.853 -8.608 1.00 64.43 H new ATOM 0 HB2 GLU A 21 -22.725 10.229 -9.221 1.00 42.33 H new ATOM 0 HB3 GLU A 21 -21.778 9.332 -10.391 1.00 42.33 H new ATOM 0 HG2 GLU A 21 -23.196 7.288 -9.301 1.00 13.42 H new ATOM 0 HG3 GLU A 21 -24.331 8.599 -9.043 1.00 13.42 H new ATOM 320 N LEU A 22 -19.038 9.448 -8.639 1.00 14.44 N ATOM 321 CA LEU A 22 -17.878 10.330 -8.571 1.00 15.51 C ATOM 322 C LEU A 22 -17.870 11.309 -9.741 1.00 2.55 C ATOM 323 O LEU A 22 -18.411 11.022 -10.807 1.00 64.24 O ATOM 324 CB LEU A 22 -16.588 9.509 -8.569 1.00 0.21 C ATOM 325 CG LEU A 22 -15.287 10.303 -8.694 1.00 20.15 C ATOM 326 CD1 LEU A 22 -15.092 11.201 -7.482 1.00 42.41 C ATOM 327 CD2 LEU A 22 -14.102 9.362 -8.859 1.00 11.52 C ATOM 0 H LEU A 22 -18.844 8.526 -9.029 1.00 14.44 H new ATOM 0 HA LEU A 22 -17.939 10.900 -7.644 1.00 15.51 H new ATOM 0 HB2 LEU A 22 -16.550 8.931 -7.646 1.00 0.21 H new ATOM 0 HB3 LEU A 22 -16.634 8.794 -9.391 1.00 0.21 H new ATOM 0 HG LEU A 22 -15.351 10.933 -9.581 1.00 20.15 H new ATOM 0 HD11 LEU A 22 -14.161 11.758 -7.588 1.00 42.41 H new ATOM 0 HD12 LEU A 22 -15.926 11.899 -7.408 1.00 42.41 H new ATOM 0 HD13 LEU A 22 -15.048 10.590 -6.580 1.00 42.41 H new ATOM 0 HD21 LEU A 22 -13.185 9.944 -8.946 1.00 11.52 H new ATOM 0 HD22 LEU A 22 -14.034 8.706 -7.991 1.00 11.52 H new ATOM 0 HD23 LEU A 22 -14.237 8.761 -9.758 1.00 11.52 H new ATOM 339 N ASN A 23 -17.250 12.467 -9.532 1.00 72.33 N ATOM 340 CA ASN A 23 -17.169 13.488 -10.570 1.00 55.03 C ATOM 341 C ASN A 23 -15.765 14.080 -10.643 1.00 72.10 C ATOM 342 O ASN A 23 -15.330 14.788 -9.734 1.00 74.14 O ATOM 343 CB ASN A 23 -18.189 14.597 -10.304 1.00 54.12 C ATOM 344 CG ASN A 23 -18.327 14.914 -8.827 1.00 71.45 C ATOM 345 OD1 ASN A 23 -17.344 14.913 -8.087 1.00 22.23 O ATOM 346 ND2 ASN A 23 -19.552 15.186 -8.393 1.00 1.13 N ATOM 0 H ASN A 23 -16.797 12.721 -8.654 1.00 72.33 H new ATOM 0 HA ASN A 23 -17.395 13.017 -11.526 1.00 55.03 H new ATOM 0 HB2 ASN A 23 -17.890 15.498 -10.840 1.00 54.12 H new ATOM 0 HB3 ASN A 23 -19.159 14.297 -10.701 1.00 54.12 H new ATOM 0 HD21 ASN A 23 -19.707 15.406 -7.409 1.00 1.13 H new ATOM 0 HD22 ASN A 23 -20.338 15.175 -9.043 1.00 1.13 H new ATOM 353 N PHE A 24 -15.060 13.785 -11.730 1.00 54.35 N ATOM 354 CA PHE A 24 -13.705 14.288 -11.922 1.00 60.33 C ATOM 355 C PHE A 24 -13.606 15.110 -13.204 1.00 61.31 C ATOM 356 O PHE A 24 -14.608 15.361 -13.874 1.00 32.23 O ATOM 357 CB PHE A 24 -12.710 13.126 -11.970 1.00 2.44 C ATOM 358 CG PHE A 24 -13.056 12.082 -12.992 1.00 64.11 C ATOM 359 CD1 PHE A 24 -12.907 12.342 -14.345 1.00 21.00 C ATOM 360 CD2 PHE A 24 -13.529 10.840 -12.601 1.00 1.05 C ATOM 361 CE1 PHE A 24 -13.225 11.383 -15.288 1.00 31.22 C ATOM 362 CE2 PHE A 24 -13.848 9.877 -13.539 1.00 34.31 C ATOM 363 CZ PHE A 24 -13.695 10.148 -14.884 1.00 53.33 C ATOM 0 H PHE A 24 -15.405 13.200 -12.491 1.00 54.35 H new ATOM 0 HA PHE A 24 -13.460 14.933 -11.078 1.00 60.33 H new ATOM 0 HB2 PHE A 24 -11.716 13.518 -12.185 1.00 2.44 H new ATOM 0 HB3 PHE A 24 -12.662 12.658 -10.987 1.00 2.44 H new ATOM 0 HD1 PHE A 24 -12.538 13.305 -14.666 1.00 21.00 H new ATOM 0 HD2 PHE A 24 -13.650 10.622 -11.550 1.00 1.05 H new ATOM 0 HE1 PHE A 24 -13.106 11.599 -16.340 1.00 31.22 H new ATOM 0 HE2 PHE A 24 -14.217 8.913 -13.220 1.00 34.31 H new ATOM 0 HZ PHE A 24 -13.942 9.396 -15.619 1.00 53.33 H new ATOM 373 N LYS A 25 -12.390 15.527 -13.540 1.00 21.22 N ATOM 374 CA LYS A 25 -12.157 16.320 -14.741 1.00 20.01 C ATOM 375 C LYS A 25 -11.036 15.718 -15.582 1.00 21.33 C ATOM 376 O LYS A 25 -10.269 14.883 -15.103 1.00 64.14 O ATOM 377 CB LYS A 25 -11.809 17.762 -14.365 1.00 43.01 C ATOM 378 CG LYS A 25 -12.844 18.425 -13.473 1.00 41.11 C ATOM 379 CD LYS A 25 -14.063 18.865 -14.266 1.00 35.33 C ATOM 380 CE LYS A 25 -14.755 20.052 -13.612 1.00 62.52 C ATOM 381 NZ LYS A 25 -16.156 19.731 -13.222 1.00 41.53 N ATOM 0 H LYS A 25 -11.550 15.329 -12.997 1.00 21.22 H new ATOM 0 HA LYS A 25 -13.073 16.316 -15.332 1.00 20.01 H new ATOM 0 HB2 LYS A 25 -10.844 17.774 -13.858 1.00 43.01 H new ATOM 0 HB3 LYS A 25 -11.697 18.349 -15.276 1.00 43.01 H new ATOM 0 HG2 LYS A 25 -13.149 17.731 -12.690 1.00 41.11 H new ATOM 0 HG3 LYS A 25 -12.400 19.288 -12.978 1.00 41.11 H new ATOM 0 HD2 LYS A 25 -13.763 19.131 -15.279 1.00 35.33 H new ATOM 0 HD3 LYS A 25 -14.764 18.034 -14.349 1.00 35.33 H new ATOM 0 HE2 LYS A 25 -14.194 20.359 -12.730 1.00 62.52 H new ATOM 0 HE3 LYS A 25 -14.754 20.897 -14.300 1.00 62.52 H new ATOM 0 HZ1 LYS A 25 -16.593 20.565 -12.780 1.00 41.53 H new ATOM 0 HZ2 LYS A 25 -16.699 19.463 -14.067 1.00 41.53 H new ATOM 0 HZ3 LYS A 25 -16.156 18.941 -12.546 1.00 41.53 H new ATOM 395 N ALA A 26 -10.947 16.148 -16.836 1.00 64.30 N ATOM 396 CA ALA A 26 -9.917 15.653 -17.742 1.00 11.33 C ATOM 397 C ALA A 26 -8.522 15.936 -17.194 1.00 33.01 C ATOM 398 O ALA A 26 -7.988 17.031 -17.365 1.00 23.30 O ATOM 399 CB ALA A 26 -10.082 16.278 -19.119 1.00 62.23 C ATOM 0 H ALA A 26 -11.575 16.838 -17.248 1.00 64.30 H new ATOM 0 HA ALA A 26 -10.032 14.573 -17.829 1.00 11.33 H new ATOM 0 HB1 ALA A 26 -9.307 15.900 -19.785 1.00 62.23 H new ATOM 0 HB2 ALA A 26 -11.062 16.021 -19.520 1.00 62.23 H new ATOM 0 HB3 ALA A 26 -9.995 17.362 -19.039 1.00 62.23 H new ATOM 405 N GLY A 27 -7.938 14.941 -16.533 1.00 62.14 N ATOM 406 CA GLY A 27 -6.610 15.103 -15.970 1.00 14.41 C ATOM 407 C GLY A 27 -6.628 15.173 -14.456 1.00 1.22 C ATOM 408 O GLY A 27 -5.712 15.721 -13.842 1.00 62.02 O ATOM 0 H GLY A 27 -8.361 14.026 -16.377 1.00 62.14 H new ATOM 0 HA2 GLY A 27 -5.981 14.270 -16.285 1.00 14.41 H new ATOM 0 HA3 GLY A 27 -6.158 16.012 -16.368 1.00 14.41 H new ATOM 412 N ASP A 28 -7.673 14.619 -13.852 1.00 30.33 N ATOM 413 CA ASP A 28 -7.807 14.621 -12.400 1.00 23.14 C ATOM 414 C ASP A 28 -6.992 13.491 -11.777 1.00 74.13 C ATOM 415 O ASP A 28 -6.309 13.685 -10.772 1.00 33.34 O ATOM 416 CB ASP A 28 -9.277 14.486 -12.001 1.00 72.22 C ATOM 417 CG ASP A 28 -9.759 15.653 -11.162 1.00 73.12 C ATOM 418 OD1 ASP A 28 -8.933 16.241 -10.433 1.00 51.33 O ATOM 419 OD2 ASP A 28 -10.962 15.978 -11.235 1.00 55.41 O ATOM 0 H ASP A 28 -8.440 14.163 -14.345 1.00 30.33 H new ATOM 0 HA ASP A 28 -7.423 15.570 -12.026 1.00 23.14 H new ATOM 0 HB2 ASP A 28 -9.889 14.411 -12.900 1.00 72.22 H new ATOM 0 HB3 ASP A 28 -9.415 13.560 -11.443 1.00 72.22 H new ATOM 424 N VAL A 29 -7.071 12.309 -12.382 1.00 3.54 N ATOM 425 CA VAL A 29 -6.341 11.148 -11.887 1.00 72.01 C ATOM 426 C VAL A 29 -6.853 10.720 -10.516 1.00 74.04 C ATOM 427 O VAL A 29 -6.686 11.436 -9.529 1.00 2.02 O ATOM 428 CB VAL A 29 -4.830 11.433 -11.792 1.00 74.44 C ATOM 429 CG1 VAL A 29 -4.062 10.151 -11.509 1.00 71.35 C ATOM 430 CG2 VAL A 29 -4.332 12.092 -13.070 1.00 21.15 C ATOM 0 H VAL A 29 -7.633 12.131 -13.215 1.00 3.54 H new ATOM 0 HA VAL A 29 -6.507 10.342 -12.602 1.00 72.01 H new ATOM 0 HB VAL A 29 -4.658 12.121 -10.964 1.00 74.44 H new ATOM 0 HG11 VAL A 29 -2.996 10.372 -11.445 1.00 71.35 H new ATOM 0 HG12 VAL A 29 -4.401 9.724 -10.565 1.00 71.35 H new ATOM 0 HG13 VAL A 29 -4.237 9.437 -12.314 1.00 71.35 H new ATOM 0 HG21 VAL A 29 -3.263 12.287 -12.986 1.00 21.15 H new ATOM 0 HG22 VAL A 29 -4.515 11.430 -13.916 1.00 21.15 H new ATOM 0 HG23 VAL A 29 -4.861 13.032 -13.224 1.00 21.15 H new ATOM 440 N ILE A 30 -7.478 9.548 -10.464 1.00 3.32 N ATOM 441 CA ILE A 30 -8.013 9.024 -9.213 1.00 51.15 C ATOM 442 C ILE A 30 -7.131 7.909 -8.662 1.00 45.41 C ATOM 443 O ILE A 30 -6.287 7.362 -9.372 1.00 60.13 O ATOM 444 CB ILE A 30 -9.445 8.487 -9.395 1.00 51.24 C ATOM 445 CG1 ILE A 30 -10.200 9.326 -10.429 1.00 62.52 C ATOM 446 CG2 ILE A 30 -10.183 8.486 -8.065 1.00 53.31 C ATOM 447 CD1 ILE A 30 -10.090 8.789 -11.839 1.00 62.31 C ATOM 0 H ILE A 30 -7.626 8.944 -11.273 1.00 3.32 H new ATOM 0 HA ILE A 30 -8.031 9.853 -8.506 1.00 51.15 H new ATOM 0 HB ILE A 30 -9.389 7.461 -9.758 1.00 51.24 H new ATOM 0 HG12 ILE A 30 -11.252 9.374 -10.148 1.00 62.52 H new ATOM 0 HG13 ILE A 30 -9.817 10.346 -10.406 1.00 62.52 H new ATOM 0 HG21 ILE A 30 -11.193 8.104 -8.210 1.00 53.31 H new ATOM 0 HG22 ILE A 30 -9.653 7.851 -7.355 1.00 53.31 H new ATOM 0 HG23 ILE A 30 -10.232 9.503 -7.675 1.00 53.31 H new ATOM 0 HD11 ILE A 30 -10.649 9.433 -12.518 1.00 62.31 H new ATOM 0 HD12 ILE A 30 -9.042 8.767 -12.139 1.00 62.31 H new ATOM 0 HD13 ILE A 30 -10.499 7.780 -11.877 1.00 62.31 H new ATOM 459 N PHE A 31 -7.332 7.577 -7.391 1.00 61.44 N ATOM 460 CA PHE A 31 -6.555 6.526 -6.744 1.00 31.01 C ATOM 461 C PHE A 31 -7.275 5.184 -6.833 1.00 34.31 C ATOM 462 O PHE A 31 -6.685 4.132 -6.583 1.00 35.34 O ATOM 463 CB PHE A 31 -6.297 6.883 -5.279 1.00 21.34 C ATOM 464 CG PHE A 31 -4.876 7.284 -5.001 1.00 34.13 C ATOM 465 CD1 PHE A 31 -4.209 8.152 -5.850 1.00 61.40 C ATOM 466 CD2 PHE A 31 -4.209 6.794 -3.890 1.00 22.21 C ATOM 467 CE1 PHE A 31 -2.902 8.522 -5.597 1.00 25.41 C ATOM 468 CE2 PHE A 31 -2.901 7.161 -3.631 1.00 74.44 C ATOM 469 CZ PHE A 31 -2.247 8.027 -4.486 1.00 34.53 C ATOM 0 H PHE A 31 -8.026 8.020 -6.789 1.00 61.44 H new ATOM 0 HA PHE A 31 -5.601 6.441 -7.264 1.00 31.01 H new ATOM 0 HB2 PHE A 31 -6.960 7.699 -4.990 1.00 21.34 H new ATOM 0 HB3 PHE A 31 -6.554 6.027 -4.654 1.00 21.34 H new ATOM 0 HD1 PHE A 31 -4.716 8.544 -6.719 1.00 61.40 H new ATOM 0 HD2 PHE A 31 -4.716 6.117 -3.218 1.00 22.21 H new ATOM 0 HE1 PHE A 31 -2.393 9.198 -6.268 1.00 25.41 H new ATOM 0 HE2 PHE A 31 -2.392 6.771 -2.762 1.00 74.44 H new ATOM 0 HZ PHE A 31 -1.226 8.316 -4.286 1.00 34.53 H new ATOM 479 N LEU A 32 -8.554 5.228 -7.190 1.00 60.05 N ATOM 480 CA LEU A 32 -9.357 4.016 -7.313 1.00 23.05 C ATOM 481 C LEU A 32 -9.537 3.343 -5.955 1.00 41.25 C ATOM 482 O LEU A 32 -8.562 2.969 -5.302 1.00 13.13 O ATOM 483 CB LEU A 32 -8.701 3.043 -8.294 1.00 22.12 C ATOM 484 CG LEU A 32 -8.017 3.673 -9.508 1.00 33.11 C ATOM 485 CD1 LEU A 32 -7.514 2.595 -10.456 1.00 10.51 C ATOM 486 CD2 LEU A 32 -8.971 4.616 -10.227 1.00 61.32 C ATOM 0 H LEU A 32 -9.057 6.090 -7.399 1.00 60.05 H new ATOM 0 HA LEU A 32 -10.339 4.297 -7.692 1.00 23.05 H new ATOM 0 HB2 LEU A 32 -7.962 2.454 -7.751 1.00 22.12 H new ATOM 0 HB3 LEU A 32 -9.462 2.349 -8.650 1.00 22.12 H new ATOM 0 HG LEU A 32 -7.160 4.250 -9.160 1.00 33.11 H new ATOM 0 HD11 LEU A 32 -7.030 3.062 -11.314 1.00 10.51 H new ATOM 0 HD12 LEU A 32 -6.797 1.959 -9.937 1.00 10.51 H new ATOM 0 HD13 LEU A 32 -8.354 1.990 -10.798 1.00 10.51 H new ATOM 0 HD21 LEU A 32 -8.468 5.056 -11.088 1.00 61.32 H new ATOM 0 HD22 LEU A 32 -9.847 4.061 -10.563 1.00 61.32 H new ATOM 0 HD23 LEU A 32 -9.282 5.408 -9.546 1.00 61.32 H new ATOM 498 N LEU A 33 -10.789 3.190 -5.538 1.00 42.54 N ATOM 499 CA LEU A 33 -11.098 2.560 -4.260 1.00 3.14 C ATOM 500 C LEU A 33 -11.464 1.092 -4.451 1.00 22.24 C ATOM 501 O LEU A 33 -11.161 0.251 -3.604 1.00 12.00 O ATOM 502 CB LEU A 33 -12.246 3.298 -3.569 1.00 1.10 C ATOM 503 CG LEU A 33 -11.903 4.663 -2.971 1.00 52.23 C ATOM 504 CD1 LEU A 33 -13.126 5.278 -2.309 1.00 13.20 C ATOM 505 CD2 LEU A 33 -10.761 4.537 -1.974 1.00 10.12 C ATOM 0 H LEU A 33 -11.607 3.494 -6.067 1.00 42.54 H new ATOM 0 HA LEU A 33 -10.209 2.615 -3.632 1.00 3.14 H new ATOM 0 HB2 LEU A 33 -13.052 3.432 -4.291 1.00 1.10 H new ATOM 0 HB3 LEU A 33 -12.633 2.662 -2.773 1.00 1.10 H new ATOM 0 HG LEU A 33 -11.582 5.322 -3.778 1.00 52.23 H new ATOM 0 HD11 LEU A 33 -12.863 6.249 -1.889 1.00 13.20 H new ATOM 0 HD12 LEU A 33 -13.916 5.405 -3.050 1.00 13.20 H new ATOM 0 HD13 LEU A 33 -13.478 4.622 -1.513 1.00 13.20 H new ATOM 0 HD21 LEU A 33 -10.531 5.518 -1.559 1.00 10.12 H new ATOM 0 HD22 LEU A 33 -11.053 3.862 -1.170 1.00 10.12 H new ATOM 0 HD23 LEU A 33 -9.880 4.141 -2.478 1.00 10.12 H new ATOM 517 N SER A 34 -12.115 0.790 -5.569 1.00 40.34 N ATOM 518 CA SER A 34 -12.524 -0.577 -5.871 1.00 42.43 C ATOM 519 C SER A 34 -13.236 -0.645 -7.219 1.00 32.54 C ATOM 520 O SER A 34 -13.440 0.374 -7.878 1.00 65.25 O ATOM 521 CB SER A 34 -13.440 -1.113 -4.769 1.00 44.43 C ATOM 522 OG SER A 34 -12.810 -2.156 -4.046 1.00 12.02 O ATOM 0 H SER A 34 -12.371 1.474 -6.281 1.00 40.34 H new ATOM 0 HA SER A 34 -11.628 -1.196 -5.921 1.00 42.43 H new ATOM 0 HB2 SER A 34 -13.708 -0.304 -4.089 1.00 44.43 H new ATOM 0 HB3 SER A 34 -14.368 -1.480 -5.209 1.00 44.43 H new ATOM 0 HG SER A 34 -12.018 -1.805 -3.588 1.00 12.02 H new ATOM 528 N ARG A 35 -13.613 -1.855 -7.620 1.00 50.04 N ATOM 529 CA ARG A 35 -14.302 -2.058 -8.889 1.00 64.52 C ATOM 530 C ARG A 35 -15.752 -2.472 -8.660 1.00 73.42 C ATOM 531 O ARG A 35 -16.062 -3.180 -7.701 1.00 51.20 O ATOM 532 CB ARG A 35 -13.582 -3.122 -9.720 1.00 24.42 C ATOM 533 CG ARG A 35 -14.065 -3.202 -11.159 1.00 21.04 C ATOM 534 CD ARG A 35 -14.291 -4.642 -11.591 1.00 62.25 C ATOM 535 NE ARG A 35 -13.764 -4.901 -12.929 1.00 11.22 N ATOM 536 CZ ARG A 35 -13.471 -6.115 -13.381 1.00 54.14 C ATOM 537 NH1 ARG A 35 -13.654 -7.176 -12.608 1.00 23.13 N ATOM 538 NH2 ARG A 35 -12.996 -6.269 -14.610 1.00 61.44 N ATOM 0 H ARG A 35 -13.453 -2.709 -7.085 1.00 50.04 H new ATOM 0 HA ARG A 35 -14.293 -1.114 -9.434 1.00 64.52 H new ATOM 0 HB2 ARG A 35 -12.513 -2.912 -9.716 1.00 24.42 H new ATOM 0 HB3 ARG A 35 -13.717 -4.094 -9.246 1.00 24.42 H new ATOM 0 HG2 ARG A 35 -14.993 -2.639 -11.264 1.00 21.04 H new ATOM 0 HG3 ARG A 35 -13.332 -2.734 -11.817 1.00 21.04 H new ATOM 0 HD2 ARG A 35 -13.814 -5.314 -10.877 1.00 62.25 H new ATOM 0 HD3 ARG A 35 -15.358 -4.863 -11.573 1.00 62.25 H new ATOM 0 HE ARG A 35 -13.613 -4.106 -13.550 1.00 11.22 H new ATOM 0 HH11 ARG A 35 -14.021 -7.061 -11.663 1.00 23.13 H new ATOM 0 HH12 ARG A 35 -13.428 -8.107 -12.958 1.00 23.13 H new ATOM 0 HH21 ARG A 35 -12.856 -5.455 -15.208 1.00 61.44 H new ATOM 0 HH22 ARG A 35 -12.771 -7.202 -14.957 1.00 61.44 H new ATOM 552 N ILE A 36 -16.636 -2.026 -9.546 1.00 73.53 N ATOM 553 CA ILE A 36 -18.053 -2.351 -9.441 1.00 34.13 C ATOM 554 C ILE A 36 -18.388 -3.614 -10.226 1.00 60.45 C ATOM 555 O ILE A 36 -18.988 -4.548 -9.695 1.00 4.33 O ATOM 556 CB ILE A 36 -18.935 -1.195 -9.949 1.00 71.30 C ATOM 557 CG1 ILE A 36 -18.406 0.144 -9.432 1.00 12.11 C ATOM 558 CG2 ILE A 36 -20.380 -1.402 -9.519 1.00 24.23 C ATOM 559 CD1 ILE A 36 -18.216 0.180 -7.932 1.00 12.23 C ATOM 0 H ILE A 36 -16.396 -1.439 -10.345 1.00 73.53 H new ATOM 0 HA ILE A 36 -18.260 -2.518 -8.384 1.00 34.13 H new ATOM 0 HB ILE A 36 -18.899 -1.182 -11.038 1.00 71.30 H new ATOM 0 HG12 ILE A 36 -17.454 0.360 -9.916 1.00 12.11 H new ATOM 0 HG13 ILE A 36 -19.098 0.935 -9.722 1.00 12.11 H new ATOM 0 HG21 ILE A 36 -20.990 -0.577 -9.886 1.00 24.23 H new ATOM 0 HG22 ILE A 36 -20.752 -2.340 -9.932 1.00 24.23 H new ATOM 0 HG23 ILE A 36 -20.434 -1.438 -8.431 1.00 24.23 H new ATOM 0 HD11 ILE A 36 -17.839 1.159 -7.636 1.00 12.23 H new ATOM 0 HD12 ILE A 36 -19.171 -0.005 -7.440 1.00 12.23 H new ATOM 0 HD13 ILE A 36 -17.501 -0.588 -7.637 1.00 12.23 H new ATOM 571 N ASN A 37 -17.994 -3.637 -11.496 1.00 12.13 N ATOM 572 CA ASN A 37 -18.251 -4.787 -12.355 1.00 52.34 C ATOM 573 C ASN A 37 -17.181 -4.908 -13.436 1.00 1.11 C ATOM 574 O ASN A 37 -16.355 -5.821 -13.408 1.00 50.40 O ATOM 575 CB ASN A 37 -19.633 -4.668 -13.002 1.00 0.15 C ATOM 576 CG ASN A 37 -20.756 -4.763 -11.987 1.00 21.13 C ATOM 577 OD1 ASN A 37 -20.958 -5.806 -11.364 1.00 52.22 O ATOM 578 ND2 ASN A 37 -21.493 -3.672 -11.816 1.00 2.32 N ATOM 0 H ASN A 37 -17.496 -2.873 -11.952 1.00 12.13 H new ATOM 0 HA ASN A 37 -18.222 -5.684 -11.737 1.00 52.34 H new ATOM 0 HB2 ASN A 37 -19.703 -3.717 -13.530 1.00 0.15 H new ATOM 0 HB3 ASN A 37 -19.752 -5.455 -13.746 1.00 0.15 H new ATOM 0 HD21 ASN A 37 -22.263 -3.676 -11.147 1.00 2.32 H new ATOM 0 HD22 ASN A 37 -21.290 -2.830 -12.354 1.00 2.32 H new ATOM 585 N LYS A 38 -17.201 -3.981 -14.388 1.00 11.25 N ATOM 586 CA LYS A 38 -16.232 -3.981 -15.477 1.00 53.02 C ATOM 587 C LYS A 38 -16.240 -2.644 -16.212 1.00 62.41 C ATOM 588 O LYS A 38 -15.189 -2.133 -16.600 1.00 54.14 O ATOM 589 CB LYS A 38 -16.537 -5.116 -16.458 1.00 1.23 C ATOM 590 CG LYS A 38 -17.924 -5.033 -17.072 1.00 24.22 C ATOM 591 CD LYS A 38 -18.317 -6.340 -17.739 1.00 64.44 C ATOM 592 CE LYS A 38 -19.827 -6.509 -17.789 1.00 15.13 C ATOM 593 NZ LYS A 38 -20.246 -7.443 -18.870 1.00 54.45 N ATOM 0 H LYS A 38 -17.879 -3.220 -14.427 1.00 11.25 H new ATOM 0 HA LYS A 38 -15.241 -4.135 -15.049 1.00 53.02 H new ATOM 0 HB2 LYS A 38 -15.794 -5.105 -17.256 1.00 1.23 H new ATOM 0 HB3 LYS A 38 -16.434 -6.070 -15.940 1.00 1.23 H new ATOM 0 HG2 LYS A 38 -18.651 -4.785 -16.299 1.00 24.22 H new ATOM 0 HG3 LYS A 38 -17.951 -4.227 -17.805 1.00 24.22 H new ATOM 0 HD2 LYS A 38 -17.913 -6.369 -18.751 1.00 64.44 H new ATOM 0 HD3 LYS A 38 -17.874 -7.175 -17.195 1.00 64.44 H new ATOM 0 HE2 LYS A 38 -20.182 -6.883 -16.829 1.00 15.13 H new ATOM 0 HE3 LYS A 38 -20.296 -5.538 -17.947 1.00 15.13 H new ATOM 0 HZ1 LYS A 38 -21.282 -7.531 -18.871 1.00 54.45 H new ATOM 0 HZ2 LYS A 38 -19.929 -7.074 -19.789 1.00 54.45 H new ATOM 0 HZ3 LYS A 38 -19.819 -8.377 -18.706 1.00 54.45 H new ATOM 607 N ASP A 39 -17.429 -2.083 -16.398 1.00 75.51 N ATOM 608 CA ASP A 39 -17.573 -0.805 -17.084 1.00 50.41 C ATOM 609 C ASP A 39 -17.634 0.345 -16.083 1.00 51.12 C ATOM 610 O ASP A 39 -17.468 1.509 -16.449 1.00 72.31 O ATOM 611 CB ASP A 39 -18.831 -0.807 -17.954 1.00 43.24 C ATOM 612 CG ASP A 39 -18.676 -1.667 -19.193 1.00 41.34 C ATOM 613 OD1 ASP A 39 -17.652 -1.521 -19.893 1.00 44.21 O ATOM 614 OD2 ASP A 39 -19.579 -2.486 -19.463 1.00 25.32 O ATOM 0 H ASP A 39 -18.308 -2.494 -16.083 1.00 75.51 H new ATOM 0 HA ASP A 39 -16.700 -0.663 -17.721 1.00 50.41 H new ATOM 0 HB2 ASP A 39 -19.675 -1.169 -17.367 1.00 43.24 H new ATOM 0 HB3 ASP A 39 -19.065 0.215 -18.252 1.00 43.24 H new ATOM 619 N TRP A 40 -17.874 0.011 -14.821 1.00 20.05 N ATOM 620 CA TRP A 40 -17.958 1.016 -13.767 1.00 11.10 C ATOM 621 C TRP A 40 -17.007 0.686 -12.622 1.00 63.23 C ATOM 622 O TRP A 40 -16.867 -0.474 -12.233 1.00 60.50 O ATOM 623 CB TRP A 40 -19.391 1.116 -13.242 1.00 54.05 C ATOM 624 CG TRP A 40 -20.421 1.157 -14.331 1.00 62.21 C ATOM 625 CD1 TRP A 40 -20.329 1.821 -15.521 1.00 74.20 C ATOM 626 CD2 TRP A 40 -21.697 0.508 -14.328 1.00 52.23 C ATOM 627 NE1 TRP A 40 -21.472 1.624 -16.258 1.00 72.12 N ATOM 628 CE2 TRP A 40 -22.326 0.822 -15.549 1.00 74.41 C ATOM 629 CE3 TRP A 40 -22.369 -0.308 -13.415 1.00 21.43 C ATOM 630 CZ2 TRP A 40 -23.594 0.347 -15.876 1.00 41.30 C ATOM 631 CZ3 TRP A 40 -23.627 -0.778 -13.741 1.00 20.14 C ATOM 632 CH2 TRP A 40 -24.229 -0.450 -14.963 1.00 24.12 C ATOM 0 H TRP A 40 -18.014 -0.948 -14.502 1.00 20.05 H new ATOM 0 HA TRP A 40 -17.666 1.976 -14.192 1.00 11.10 H new ATOM 0 HB2 TRP A 40 -19.593 0.264 -12.593 1.00 54.05 H new ATOM 0 HB3 TRP A 40 -19.484 2.013 -12.629 1.00 54.05 H new ATOM 0 HD1 TRP A 40 -19.483 2.413 -15.836 1.00 74.20 H new ATOM 0 HE1 TRP A 40 -21.655 2.012 -17.183 1.00 72.12 H new ATOM 0 HE3 TRP A 40 -21.913 -0.567 -12.471 1.00 21.43 H new ATOM 0 HZ2 TRP A 40 -24.060 0.599 -16.817 1.00 41.30 H new ATOM 0 HZ3 TRP A 40 -24.155 -1.409 -13.042 1.00 20.14 H new ATOM 0 HH2 TRP A 40 -25.213 -0.834 -15.189 1.00 24.12 H new ATOM 643 N LEU A 41 -16.354 1.711 -12.086 1.00 54.44 N ATOM 644 CA LEU A 41 -15.415 1.530 -10.985 1.00 34.42 C ATOM 645 C LEU A 41 -15.636 2.581 -9.902 1.00 41.21 C ATOM 646 O LEU A 41 -16.529 3.421 -10.012 1.00 63.33 O ATOM 647 CB LEU A 41 -13.976 1.603 -11.498 1.00 12.41 C ATOM 648 CG LEU A 41 -13.746 1.102 -12.924 1.00 44.40 C ATOM 649 CD1 LEU A 41 -12.309 1.356 -13.353 1.00 41.32 C ATOM 650 CD2 LEU A 41 -14.082 -0.378 -13.030 1.00 52.12 C ATOM 0 H LEU A 41 -16.458 2.677 -12.396 1.00 54.44 H new ATOM 0 HA LEU A 41 -15.589 0.546 -10.550 1.00 34.42 H new ATOM 0 HB2 LEU A 41 -13.643 2.639 -11.440 1.00 12.41 H new ATOM 0 HB3 LEU A 41 -13.342 1.026 -10.825 1.00 12.41 H new ATOM 0 HG LEU A 41 -14.407 1.653 -13.593 1.00 44.40 H new ATOM 0 HD11 LEU A 41 -12.163 0.993 -14.370 1.00 41.32 H new ATOM 0 HD12 LEU A 41 -12.102 2.426 -13.316 1.00 41.32 H new ATOM 0 HD13 LEU A 41 -11.630 0.832 -12.680 1.00 41.32 H new ATOM 0 HD21 LEU A 41 -13.912 -0.717 -14.052 1.00 52.12 H new ATOM 0 HD22 LEU A 41 -13.447 -0.945 -12.349 1.00 52.12 H new ATOM 0 HD23 LEU A 41 -15.128 -0.534 -12.765 1.00 52.12 H new ATOM 662 N GLU A 42 -14.815 2.529 -8.858 1.00 3.40 N ATOM 663 CA GLU A 42 -14.920 3.479 -7.756 1.00 70.04 C ATOM 664 C GLU A 42 -13.564 4.109 -7.450 1.00 14.04 C ATOM 665 O GLU A 42 -12.521 3.482 -7.630 1.00 13.30 O ATOM 666 CB GLU A 42 -15.467 2.786 -6.507 1.00 30.22 C ATOM 667 CG GLU A 42 -15.712 3.732 -5.344 1.00 10.24 C ATOM 668 CD GLU A 42 -17.117 3.618 -4.784 1.00 63.32 C ATOM 669 OE1 GLU A 42 -17.443 2.558 -4.211 1.00 30.33 O ATOM 670 OE2 GLU A 42 -17.890 4.589 -4.920 1.00 42.31 O ATOM 0 H GLU A 42 -14.070 1.840 -8.752 1.00 3.40 H new ATOM 0 HA GLU A 42 -15.609 4.269 -8.055 1.00 70.04 H new ATOM 0 HB2 GLU A 42 -16.401 2.285 -6.760 1.00 30.22 H new ATOM 0 HB3 GLU A 42 -14.765 2.013 -6.194 1.00 30.22 H new ATOM 0 HG2 GLU A 42 -14.992 3.523 -4.553 1.00 10.24 H new ATOM 0 HG3 GLU A 42 -15.538 4.757 -5.671 1.00 10.24 H new ATOM 677 N GLY A 43 -13.589 5.355 -6.985 1.00 23.41 N ATOM 678 CA GLY A 43 -12.357 6.050 -6.661 1.00 64.31 C ATOM 679 C GLY A 43 -12.604 7.413 -6.047 1.00 14.21 C ATOM 680 O GLY A 43 -13.693 7.974 -6.178 1.00 32.44 O ATOM 0 H GLY A 43 -14.440 5.895 -6.827 1.00 23.41 H new ATOM 0 HA2 GLY A 43 -11.773 5.444 -5.969 1.00 64.31 H new ATOM 0 HA3 GLY A 43 -11.760 6.165 -7.566 1.00 64.31 H new ATOM 684 N THR A 44 -11.592 7.950 -5.372 1.00 70.35 N ATOM 685 CA THR A 44 -11.706 9.254 -4.733 1.00 44.41 C ATOM 686 C THR A 44 -10.714 10.247 -5.329 1.00 60.10 C ATOM 687 O THR A 44 -9.502 10.041 -5.268 1.00 43.22 O ATOM 688 CB THR A 44 -11.468 9.158 -3.214 1.00 54.32 C ATOM 689 OG1 THR A 44 -11.478 10.467 -2.633 1.00 63.11 O ATOM 690 CG2 THR A 44 -10.142 8.475 -2.916 1.00 34.22 C ATOM 0 H THR A 44 -10.684 7.501 -5.254 1.00 70.35 H new ATOM 0 HA THR A 44 -12.722 9.606 -4.913 1.00 44.41 H new ATOM 0 HB THR A 44 -12.271 8.562 -2.780 1.00 54.32 H new ATOM 0 HG1 THR A 44 -11.328 10.397 -1.667 1.00 63.11 H new ATOM 0 HG21 THR A 44 -9.996 8.419 -1.837 1.00 34.22 H new ATOM 0 HG22 THR A 44 -10.149 7.468 -3.334 1.00 34.22 H new ATOM 0 HG23 THR A 44 -9.329 9.048 -3.363 1.00 34.22 H new ATOM 698 N VAL A 45 -11.236 11.325 -5.905 1.00 14.12 N ATOM 699 CA VAL A 45 -10.396 12.351 -6.511 1.00 13.35 C ATOM 700 C VAL A 45 -10.961 13.744 -6.256 1.00 3.52 C ATOM 701 O VAL A 45 -12.176 13.936 -6.221 1.00 53.00 O ATOM 702 CB VAL A 45 -10.255 12.137 -8.029 1.00 63.51 C ATOM 703 CG1 VAL A 45 -11.622 12.112 -8.695 1.00 11.40 C ATOM 704 CG2 VAL A 45 -9.374 13.216 -8.640 1.00 12.33 C ATOM 0 H VAL A 45 -12.237 11.510 -5.965 1.00 14.12 H new ATOM 0 HA VAL A 45 -9.413 12.270 -6.048 1.00 13.35 H new ATOM 0 HB VAL A 45 -9.778 11.172 -8.199 1.00 63.51 H new ATOM 0 HG11 VAL A 45 -11.501 11.960 -9.768 1.00 11.40 H new ATOM 0 HG12 VAL A 45 -12.215 11.299 -8.277 1.00 11.40 H new ATOM 0 HG13 VAL A 45 -12.130 13.060 -8.518 1.00 11.40 H new ATOM 0 HG21 VAL A 45 -9.285 13.049 -9.713 1.00 12.33 H new ATOM 0 HG22 VAL A 45 -9.820 14.194 -8.461 1.00 12.33 H new ATOM 0 HG23 VAL A 45 -8.385 13.179 -8.184 1.00 12.33 H new ATOM 714 N ARG A 46 -10.070 14.715 -6.079 1.00 23.43 N ATOM 715 CA ARG A 46 -10.479 16.091 -5.826 1.00 62.04 C ATOM 716 C ARG A 46 -11.243 16.198 -4.510 1.00 51.41 C ATOM 717 O ARG A 46 -11.989 17.152 -4.289 1.00 62.45 O ATOM 718 CB ARG A 46 -11.347 16.606 -6.976 1.00 3.31 C ATOM 719 CG ARG A 46 -10.633 17.597 -7.881 1.00 61.35 C ATOM 720 CD ARG A 46 -11.620 18.426 -8.688 1.00 71.30 C ATOM 721 NE ARG A 46 -11.608 19.831 -8.291 1.00 4.03 N ATOM 722 CZ ARG A 46 -10.683 20.698 -8.686 1.00 44.42 C ATOM 723 NH1 ARG A 46 -9.701 20.307 -9.486 1.00 65.41 N ATOM 724 NH2 ARG A 46 -10.739 21.961 -8.282 1.00 12.00 N ATOM 0 H ARG A 46 -9.060 14.574 -6.106 1.00 23.43 H new ATOM 0 HA ARG A 46 -9.581 16.704 -5.755 1.00 62.04 H new ATOM 0 HB2 ARG A 46 -11.684 15.759 -7.573 1.00 3.31 H new ATOM 0 HB3 ARG A 46 -12.238 17.080 -6.564 1.00 3.31 H new ATOM 0 HG2 ARG A 46 -10.009 18.257 -7.279 1.00 61.35 H new ATOM 0 HG3 ARG A 46 -9.968 17.060 -8.558 1.00 61.35 H new ATOM 0 HD2 ARG A 46 -11.378 18.347 -9.748 1.00 71.30 H new ATOM 0 HD3 ARG A 46 -12.624 18.021 -8.559 1.00 71.30 H new ATOM 0 HE ARG A 46 -12.351 20.165 -7.677 1.00 4.03 H new ATOM 0 HH11 ARG A 46 -9.654 19.338 -9.800 1.00 65.41 H new ATOM 0 HH12 ARG A 46 -8.992 20.975 -9.788 1.00 65.41 H new ATOM 0 HH21 ARG A 46 -11.493 22.267 -7.667 1.00 12.00 H new ATOM 0 HH22 ARG A 46 -10.028 22.626 -8.586 1.00 12.00 H new ATOM 738 N GLY A 47 -11.052 15.213 -3.638 1.00 70.44 N ATOM 739 CA GLY A 47 -11.730 15.215 -2.356 1.00 33.15 C ATOM 740 C GLY A 47 -13.163 14.730 -2.456 1.00 61.32 C ATOM 741 O GLY A 47 -13.972 14.973 -1.562 1.00 10.34 O ATOM 0 H GLY A 47 -10.439 14.413 -3.797 1.00 70.44 H new ATOM 0 HA2 GLY A 47 -11.183 14.581 -1.658 1.00 33.15 H new ATOM 0 HA3 GLY A 47 -11.719 16.224 -1.945 1.00 33.15 H new ATOM 745 N ALA A 48 -13.478 14.042 -3.549 1.00 43.53 N ATOM 746 CA ALA A 48 -14.822 13.522 -3.763 1.00 72.14 C ATOM 747 C ALA A 48 -14.791 12.028 -4.067 1.00 25.20 C ATOM 748 O ALA A 48 -13.937 11.554 -4.818 1.00 33.41 O ATOM 749 CB ALA A 48 -15.507 14.277 -4.893 1.00 11.44 C ATOM 0 H ALA A 48 -12.820 13.832 -4.300 1.00 43.53 H new ATOM 0 HA ALA A 48 -15.391 13.668 -2.845 1.00 72.14 H new ATOM 0 HB1 ALA A 48 -16.510 13.878 -5.042 1.00 11.44 H new ATOM 0 HB2 ALA A 48 -15.572 15.335 -4.637 1.00 11.44 H new ATOM 0 HB3 ALA A 48 -14.930 14.160 -5.811 1.00 11.44 H new ATOM 755 N THR A 49 -15.726 11.289 -3.478 1.00 23.20 N ATOM 756 CA THR A 49 -15.804 9.848 -3.684 1.00 5.11 C ATOM 757 C THR A 49 -17.017 9.478 -4.530 1.00 3.45 C ATOM 758 O THR A 49 -17.928 10.285 -4.711 1.00 71.51 O ATOM 759 CB THR A 49 -15.876 9.092 -2.344 1.00 14.22 C ATOM 760 OG1 THR A 49 -15.652 9.998 -1.258 1.00 22.14 O ATOM 761 CG2 THR A 49 -14.848 7.972 -2.298 1.00 11.14 C ATOM 0 H THR A 49 -16.440 11.665 -2.854 1.00 23.20 H new ATOM 0 HA THR A 49 -14.895 9.554 -4.210 1.00 5.11 H new ATOM 0 HB THR A 49 -16.870 8.654 -2.252 1.00 14.22 H new ATOM 0 HG1 THR A 49 -15.701 9.510 -0.410 1.00 22.14 H new ATOM 0 HG21 THR A 49 -14.918 7.453 -1.342 1.00 11.14 H new ATOM 0 HG22 THR A 49 -15.040 7.268 -3.108 1.00 11.14 H new ATOM 0 HG23 THR A 49 -13.848 8.391 -2.411 1.00 11.14 H new ATOM 769 N GLY A 50 -17.022 8.253 -5.045 1.00 30.42 N ATOM 770 CA GLY A 50 -18.129 7.797 -5.865 1.00 54.40 C ATOM 771 C GLY A 50 -17.689 6.840 -6.954 1.00 62.22 C ATOM 772 O GLY A 50 -16.526 6.438 -7.003 1.00 43.25 O ATOM 0 H GLY A 50 -16.279 7.568 -4.909 1.00 30.42 H new ATOM 0 HA2 GLY A 50 -18.868 7.306 -5.232 1.00 54.40 H new ATOM 0 HA3 GLY A 50 -18.619 8.658 -6.319 1.00 54.40 H new ATOM 776 N ILE A 51 -18.619 6.472 -7.828 1.00 75.41 N ATOM 777 CA ILE A 51 -18.320 5.555 -8.921 1.00 34.41 C ATOM 778 C ILE A 51 -18.211 6.298 -10.248 1.00 24.11 C ATOM 779 O ILE A 51 -18.789 7.371 -10.421 1.00 32.15 O ATOM 780 CB ILE A 51 -19.396 4.459 -9.047 1.00 25.04 C ATOM 781 CG1 ILE A 51 -20.765 5.086 -9.316 1.00 1.23 C ATOM 782 CG2 ILE A 51 -19.435 3.609 -7.786 1.00 21.53 C ATOM 783 CD1 ILE A 51 -21.554 4.376 -10.393 1.00 63.42 C ATOM 0 H ILE A 51 -19.586 6.795 -7.801 1.00 75.41 H new ATOM 0 HA ILE A 51 -17.363 5.089 -8.688 1.00 34.41 H new ATOM 0 HB ILE A 51 -19.141 3.815 -9.889 1.00 25.04 H new ATOM 0 HG12 ILE A 51 -21.344 5.085 -8.392 1.00 1.23 H new ATOM 0 HG13 ILE A 51 -20.628 6.128 -9.605 1.00 1.23 H new ATOM 0 HG21 ILE A 51 -20.200 2.839 -7.890 1.00 21.53 H new ATOM 0 HG22 ILE A 51 -18.464 3.138 -7.635 1.00 21.53 H new ATOM 0 HG23 ILE A 51 -19.669 4.240 -6.929 1.00 21.53 H new ATOM 0 HD11 ILE A 51 -22.513 4.875 -10.530 1.00 63.42 H new ATOM 0 HD12 ILE A 51 -20.996 4.400 -11.329 1.00 63.42 H new ATOM 0 HD13 ILE A 51 -21.723 3.340 -10.098 1.00 63.42 H new ATOM 795 N PHE A 52 -17.466 5.719 -11.184 1.00 5.41 N ATOM 796 CA PHE A 52 -17.280 6.326 -12.497 1.00 12.31 C ATOM 797 C PHE A 52 -17.030 5.259 -13.559 1.00 13.42 C ATOM 798 O PHE A 52 -16.497 4.185 -13.282 1.00 33.30 O ATOM 799 CB PHE A 52 -16.112 7.314 -12.465 1.00 70.03 C ATOM 800 CG PHE A 52 -14.817 6.696 -12.022 1.00 45.24 C ATOM 801 CD1 PHE A 52 -13.985 6.070 -12.936 1.00 65.42 C ATOM 802 CD2 PHE A 52 -14.430 6.743 -10.693 1.00 35.34 C ATOM 803 CE1 PHE A 52 -12.792 5.500 -12.531 1.00 74.31 C ATOM 804 CE2 PHE A 52 -13.239 6.175 -10.282 1.00 31.14 C ATOM 805 CZ PHE A 52 -12.419 5.553 -11.202 1.00 44.55 C ATOM 0 H PHE A 52 -16.981 4.830 -11.058 1.00 5.41 H new ATOM 0 HA PHE A 52 -18.193 6.862 -12.754 1.00 12.31 H new ATOM 0 HB2 PHE A 52 -15.980 7.741 -13.459 1.00 70.03 H new ATOM 0 HB3 PHE A 52 -16.361 8.137 -11.795 1.00 70.03 H new ATOM 0 HD1 PHE A 52 -14.271 6.027 -13.976 1.00 65.42 H new ATOM 0 HD2 PHE A 52 -15.067 7.229 -9.969 1.00 35.34 H new ATOM 0 HE1 PHE A 52 -12.153 5.014 -13.253 1.00 74.31 H new ATOM 0 HE2 PHE A 52 -12.950 6.218 -9.242 1.00 31.14 H new ATOM 0 HZ PHE A 52 -11.488 5.109 -10.883 1.00 44.55 H new ATOM 815 N PRO A 53 -17.425 5.562 -14.805 1.00 21.33 N ATOM 816 CA PRO A 53 -17.255 4.643 -15.934 1.00 24.52 C ATOM 817 C PRO A 53 -15.792 4.478 -16.332 1.00 2.11 C ATOM 818 O PRO A 53 -15.089 5.461 -16.571 1.00 64.22 O ATOM 819 CB PRO A 53 -18.043 5.315 -17.061 1.00 30.15 C ATOM 820 CG PRO A 53 -18.046 6.763 -16.709 1.00 61.43 C ATOM 821 CD PRO A 53 -18.067 6.824 -15.207 1.00 12.20 C ATOM 0 HA PRO A 53 -17.600 3.637 -15.696 1.00 24.52 H new ATOM 0 HB2 PRO A 53 -17.573 5.144 -18.029 1.00 30.15 H new ATOM 0 HB3 PRO A 53 -19.057 4.921 -17.125 1.00 30.15 H new ATOM 0 HG2 PRO A 53 -17.163 7.263 -17.108 1.00 61.43 H new ATOM 0 HG3 PRO A 53 -18.916 7.266 -17.132 1.00 61.43 H new ATOM 0 HD2 PRO A 53 -17.521 7.690 -14.832 1.00 12.20 H new ATOM 0 HD3 PRO A 53 -19.084 6.898 -14.822 1.00 12.20 H new ATOM 829 N LEU A 54 -15.339 3.231 -16.402 1.00 11.24 N ATOM 830 CA LEU A 54 -13.959 2.938 -16.772 1.00 22.13 C ATOM 831 C LEU A 54 -13.653 3.445 -18.177 1.00 64.55 C ATOM 832 O LEU A 54 -12.491 3.600 -18.553 1.00 5.04 O ATOM 833 CB LEU A 54 -13.697 1.433 -16.691 1.00 74.25 C ATOM 834 CG LEU A 54 -12.544 0.905 -17.546 1.00 12.41 C ATOM 835 CD1 LEU A 54 -11.220 1.483 -17.071 1.00 11.04 C ATOM 836 CD2 LEU A 54 -12.508 -0.616 -17.512 1.00 44.51 C ATOM 0 H LEU A 54 -15.907 2.407 -16.207 1.00 11.24 H new ATOM 0 HA LEU A 54 -13.303 3.452 -16.070 1.00 22.13 H new ATOM 0 HB2 LEU A 54 -13.499 1.174 -15.651 1.00 74.25 H new ATOM 0 HB3 LEU A 54 -14.608 0.910 -16.982 1.00 74.25 H new ATOM 0 HG LEU A 54 -12.706 1.221 -18.577 1.00 12.41 H new ATOM 0 HD11 LEU A 54 -10.411 1.096 -17.691 1.00 11.04 H new ATOM 0 HD12 LEU A 54 -11.249 2.570 -17.148 1.00 11.04 H new ATOM 0 HD13 LEU A 54 -11.050 1.198 -16.033 1.00 11.04 H new ATOM 0 HD21 LEU A 54 -11.681 -0.974 -18.126 1.00 44.51 H new ATOM 0 HD22 LEU A 54 -12.370 -0.954 -16.485 1.00 44.51 H new ATOM 0 HD23 LEU A 54 -13.446 -1.011 -17.901 1.00 44.51 H new ATOM 848 N SER A 55 -14.703 3.702 -18.950 1.00 11.30 N ATOM 849 CA SER A 55 -14.547 4.190 -20.315 1.00 44.22 C ATOM 850 C SER A 55 -14.209 5.678 -20.325 1.00 14.10 C ATOM 851 O SER A 55 -13.996 6.271 -21.383 1.00 10.24 O ATOM 852 CB SER A 55 -15.824 3.940 -21.118 1.00 54.03 C ATOM 853 OG SER A 55 -15.583 4.057 -22.510 1.00 14.11 O ATOM 0 H SER A 55 -15.672 3.580 -18.654 1.00 11.30 H new ATOM 0 HA SER A 55 -13.724 3.645 -20.777 1.00 44.22 H new ATOM 0 HB2 SER A 55 -16.209 2.945 -20.895 1.00 54.03 H new ATOM 0 HB3 SER A 55 -16.592 4.653 -20.818 1.00 54.03 H new ATOM 0 HG SER A 55 -14.958 4.794 -22.673 1.00 14.11 H new ATOM 859 N PHE A 56 -14.163 6.276 -19.139 1.00 31.41 N ATOM 860 CA PHE A 56 -13.853 7.695 -19.009 1.00 70.43 C ATOM 861 C PHE A 56 -12.570 7.900 -18.210 1.00 2.13 C ATOM 862 O PHE A 56 -12.308 8.992 -17.705 1.00 25.22 O ATOM 863 CB PHE A 56 -15.011 8.432 -18.334 1.00 74.03 C ATOM 864 CG PHE A 56 -16.216 8.592 -19.217 1.00 70.32 C ATOM 865 CD1 PHE A 56 -16.916 7.483 -19.664 1.00 21.40 C ATOM 866 CD2 PHE A 56 -16.648 9.851 -19.601 1.00 10.11 C ATOM 867 CE1 PHE A 56 -18.025 7.626 -20.476 1.00 51.03 C ATOM 868 CE2 PHE A 56 -17.757 10.001 -20.413 1.00 24.34 C ATOM 869 CZ PHE A 56 -18.445 8.887 -20.852 1.00 32.12 C ATOM 0 H PHE A 56 -14.337 5.800 -18.254 1.00 31.41 H new ATOM 0 HA PHE A 56 -13.706 8.102 -20.009 1.00 70.43 H new ATOM 0 HB2 PHE A 56 -15.300 7.891 -17.433 1.00 74.03 H new ATOM 0 HB3 PHE A 56 -14.669 9.417 -18.018 1.00 74.03 H new ATOM 0 HD1 PHE A 56 -16.591 6.495 -19.374 1.00 21.40 H new ATOM 0 HD2 PHE A 56 -16.112 10.725 -19.262 1.00 10.11 H new ATOM 0 HE1 PHE A 56 -18.562 6.753 -20.816 1.00 51.03 H new ATOM 0 HE2 PHE A 56 -18.085 10.988 -20.704 1.00 24.34 H new ATOM 0 HZ PHE A 56 -19.310 9.002 -21.488 1.00 32.12 H new ATOM 879 N VAL A 57 -11.773 6.842 -18.098 1.00 71.24 N ATOM 880 CA VAL A 57 -10.517 6.905 -17.361 1.00 62.21 C ATOM 881 C VAL A 57 -9.499 5.919 -17.924 1.00 33.22 C ATOM 882 O VAL A 57 -9.864 4.899 -18.509 1.00 31.20 O ATOM 883 CB VAL A 57 -10.729 6.609 -15.865 1.00 21.45 C ATOM 884 CG1 VAL A 57 -11.667 7.634 -15.245 1.00 24.52 C ATOM 885 CG2 VAL A 57 -11.265 5.198 -15.672 1.00 11.13 C ATOM 0 H VAL A 57 -11.975 5.931 -18.509 1.00 71.24 H new ATOM 0 HA VAL A 57 -10.135 7.920 -17.472 1.00 62.21 H new ATOM 0 HB VAL A 57 -9.766 6.680 -15.359 1.00 21.45 H new ATOM 0 HG11 VAL A 57 -11.805 7.408 -14.188 1.00 24.52 H new ATOM 0 HG12 VAL A 57 -11.238 8.630 -15.351 1.00 24.52 H new ATOM 0 HG13 VAL A 57 -12.631 7.598 -15.752 1.00 24.52 H new ATOM 0 HG21 VAL A 57 -11.409 5.006 -14.609 1.00 11.13 H new ATOM 0 HG22 VAL A 57 -12.218 5.097 -16.191 1.00 11.13 H new ATOM 0 HG23 VAL A 57 -10.553 4.480 -16.077 1.00 11.13 H new ATOM 895 N LYS A 58 -8.220 6.229 -17.743 1.00 12.33 N ATOM 896 CA LYS A 58 -7.147 5.370 -18.230 1.00 54.52 C ATOM 897 C LYS A 58 -6.445 4.667 -17.073 1.00 74.12 C ATOM 898 O LYS A 58 -5.567 5.240 -16.428 1.00 31.44 O ATOM 899 CB LYS A 58 -6.135 6.191 -19.032 1.00 65.55 C ATOM 900 CG LYS A 58 -4.874 5.421 -19.388 1.00 74.25 C ATOM 901 CD LYS A 58 -5.180 4.237 -20.291 1.00 33.14 C ATOM 902 CE LYS A 58 -5.153 2.926 -19.519 1.00 0.51 C ATOM 903 NZ LYS A 58 -4.071 2.023 -19.999 1.00 33.40 N ATOM 0 H LYS A 58 -7.901 7.070 -17.262 1.00 12.33 H new ATOM 0 HA LYS A 58 -7.587 4.612 -18.878 1.00 54.52 H new ATOM 0 HB2 LYS A 58 -6.609 6.541 -19.949 1.00 65.55 H new ATOM 0 HB3 LYS A 58 -5.861 7.076 -18.458 1.00 65.55 H new ATOM 0 HG2 LYS A 58 -4.168 6.086 -19.885 1.00 74.25 H new ATOM 0 HG3 LYS A 58 -4.392 5.069 -18.476 1.00 74.25 H new ATOM 0 HD2 LYS A 58 -6.160 4.371 -20.749 1.00 33.14 H new ATOM 0 HD3 LYS A 58 -4.452 4.198 -21.101 1.00 33.14 H new ATOM 0 HE2 LYS A 58 -5.010 3.132 -18.458 1.00 0.51 H new ATOM 0 HE3 LYS A 58 -6.116 2.425 -19.620 1.00 0.51 H new ATOM 0 HZ1 LYS A 58 -4.085 1.141 -19.448 1.00 33.40 H new ATOM 0 HZ2 LYS A 58 -4.221 1.806 -21.005 1.00 33.40 H new ATOM 0 HZ3 LYS A 58 -3.150 2.491 -19.879 1.00 33.40 H new ATOM 917 N ILE A 59 -6.837 3.423 -16.818 1.00 0.10 N ATOM 918 CA ILE A 59 -6.243 2.642 -15.741 1.00 22.44 C ATOM 919 C ILE A 59 -4.726 2.578 -15.880 1.00 4.14 C ATOM 920 O ILE A 59 -4.196 1.803 -16.677 1.00 40.23 O ATOM 921 CB ILE A 59 -6.805 1.208 -15.709 1.00 65.11 C ATOM 922 CG1 ILE A 59 -8.332 1.234 -15.785 1.00 75.30 C ATOM 923 CG2 ILE A 59 -6.343 0.486 -14.452 1.00 33.20 C ATOM 924 CD1 ILE A 59 -8.972 2.156 -14.771 1.00 33.22 C ATOM 0 H ILE A 59 -7.563 2.935 -17.343 1.00 0.10 H new ATOM 0 HA ILE A 59 -6.499 3.145 -14.809 1.00 22.44 H new ATOM 0 HB ILE A 59 -6.427 0.665 -16.575 1.00 65.11 H new ATOM 0 HG12 ILE A 59 -8.633 1.543 -16.786 1.00 75.30 H new ATOM 0 HG13 ILE A 59 -8.712 0.223 -15.636 1.00 75.30 H new ATOM 0 HG21 ILE A 59 -6.748 -0.526 -14.444 1.00 33.20 H new ATOM 0 HG22 ILE A 59 -5.254 0.441 -14.438 1.00 33.20 H new ATOM 0 HG23 ILE A 59 -6.695 1.025 -13.573 1.00 33.20 H new ATOM 0 HD11 ILE A 59 -10.056 2.124 -14.883 1.00 33.22 H new ATOM 0 HD12 ILE A 59 -8.701 1.835 -13.765 1.00 33.22 H new ATOM 0 HD13 ILE A 59 -8.621 3.175 -14.933 1.00 33.22 H new ATOM 936 N LEU A 60 -4.031 3.397 -15.097 1.00 63.34 N ATOM 937 CA LEU A 60 -2.573 3.433 -15.131 1.00 63.12 C ATOM 938 C LEU A 60 -1.980 2.356 -14.227 1.00 52.54 C ATOM 939 O LEU A 60 -0.775 2.105 -14.251 1.00 12.04 O ATOM 940 CB LEU A 60 -2.067 4.811 -14.701 1.00 51.11 C ATOM 941 CG LEU A 60 -2.766 6.012 -15.340 1.00 31.23 C ATOM 942 CD1 LEU A 60 -2.219 7.312 -14.772 1.00 43.21 C ATOM 943 CD2 LEU A 60 -2.606 5.979 -16.853 1.00 14.23 C ATOM 0 H LEU A 60 -4.454 4.044 -14.432 1.00 63.34 H new ATOM 0 HA LEU A 60 -2.253 3.238 -16.155 1.00 63.12 H new ATOM 0 HB2 LEU A 60 -2.167 4.891 -13.619 1.00 51.11 H new ATOM 0 HB3 LEU A 60 -1.003 4.872 -14.928 1.00 51.11 H new ATOM 0 HG LEU A 60 -3.829 5.957 -15.106 1.00 31.23 H new ATOM 0 HD11 LEU A 60 -2.728 8.155 -15.238 1.00 43.21 H new ATOM 0 HD12 LEU A 60 -2.386 7.337 -13.695 1.00 43.21 H new ATOM 0 HD13 LEU A 60 -1.150 7.376 -14.975 1.00 43.21 H new ATOM 0 HD21 LEU A 60 -3.110 6.841 -17.291 1.00 14.23 H new ATOM 0 HD22 LEU A 60 -1.547 6.010 -17.108 1.00 14.23 H new ATOM 0 HD23 LEU A 60 -3.047 5.063 -17.246 1.00 14.23 H new ATOM 955 N LYS A 61 -2.835 1.722 -13.433 1.00 34.21 N ATOM 956 CA LYS A 61 -2.399 0.669 -12.523 1.00 43.23 C ATOM 957 C LYS A 61 -3.588 -0.139 -12.015 1.00 14.31 C ATOM 958 O LYS A 61 -4.600 0.425 -11.597 1.00 72.40 O ATOM 959 CB LYS A 61 -1.636 1.272 -11.342 1.00 4.13 C ATOM 960 CG LYS A 61 -1.184 0.243 -10.320 1.00 72.42 C ATOM 961 CD LYS A 61 -0.141 -0.698 -10.900 1.00 73.11 C ATOM 962 CE LYS A 61 0.235 -1.791 -9.911 1.00 51.23 C ATOM 963 NZ LYS A 61 0.253 -3.135 -10.551 1.00 22.51 N ATOM 0 H LYS A 61 -3.835 1.919 -13.401 1.00 34.21 H new ATOM 0 HA LYS A 61 -1.737 -0.000 -13.072 1.00 43.23 H new ATOM 0 HB2 LYS A 61 -0.763 1.805 -11.719 1.00 4.13 H new ATOM 0 HB3 LYS A 61 -2.271 2.008 -10.848 1.00 4.13 H new ATOM 0 HG2 LYS A 61 -0.772 0.751 -9.448 1.00 72.42 H new ATOM 0 HG3 LYS A 61 -2.044 -0.332 -9.977 1.00 72.42 H new ATOM 0 HD2 LYS A 61 -0.525 -1.150 -11.814 1.00 73.11 H new ATOM 0 HD3 LYS A 61 0.749 -0.132 -11.174 1.00 73.11 H new ATOM 0 HE2 LYS A 61 1.217 -1.577 -9.489 1.00 51.23 H new ATOM 0 HE3 LYS A 61 -0.475 -1.792 -9.084 1.00 51.23 H new ATOM 0 HZ1 LYS A 61 0.514 -3.852 -9.845 1.00 22.51 H new ATOM 0 HZ2 LYS A 61 -0.690 -3.351 -10.932 1.00 22.51 H new ATOM 0 HZ3 LYS A 61 0.948 -3.142 -11.324 1.00 22.51 H new ATOM 977 N ASP A 62 -3.459 -1.460 -12.052 1.00 73.31 N ATOM 978 CA ASP A 62 -4.523 -2.346 -11.592 1.00 51.35 C ATOM 979 C ASP A 62 -4.530 -2.442 -10.070 1.00 54.50 C ATOM 980 O ASP A 62 -3.538 -2.127 -9.413 1.00 1.11 O ATOM 981 CB ASP A 62 -4.356 -3.738 -12.203 1.00 31.12 C ATOM 982 CG ASP A 62 -5.651 -4.526 -12.210 1.00 32.22 C ATOM 983 OD1 ASP A 62 -6.715 -3.922 -11.961 1.00 55.41 O ATOM 984 OD2 ASP A 62 -5.601 -5.747 -12.465 1.00 24.53 O ATOM 0 H ASP A 62 -2.628 -1.942 -12.396 1.00 73.31 H new ATOM 0 HA ASP A 62 -5.476 -1.928 -11.916 1.00 51.35 H new ATOM 0 HB2 ASP A 62 -3.987 -3.642 -13.224 1.00 31.12 H new ATOM 0 HB3 ASP A 62 -3.601 -4.290 -11.642 1.00 31.12 H new ATOM 989 N PHE A 63 -5.657 -2.877 -9.515 1.00 63.11 N ATOM 990 CA PHE A 63 -5.794 -3.012 -8.070 1.00 33.43 C ATOM 991 C PHE A 63 -4.870 -4.103 -7.535 1.00 52.31 C ATOM 992 O PHE A 63 -4.413 -4.979 -8.269 1.00 33.41 O ATOM 993 CB PHE A 63 -7.245 -3.332 -7.702 1.00 3.22 C ATOM 994 CG PHE A 63 -8.114 -2.113 -7.577 1.00 22.10 C ATOM 995 CD1 PHE A 63 -8.678 -1.530 -8.700 1.00 65.14 C ATOM 996 CD2 PHE A 63 -8.367 -1.551 -6.336 1.00 54.03 C ATOM 997 CE1 PHE A 63 -9.477 -0.408 -8.588 1.00 61.22 C ATOM 998 CE2 PHE A 63 -9.166 -0.429 -6.218 1.00 34.31 C ATOM 999 CZ PHE A 63 -9.723 0.142 -7.345 1.00 43.14 C ATOM 0 H PHE A 63 -6.488 -3.142 -10.044 1.00 63.11 H new ATOM 0 HA PHE A 63 -5.510 -2.064 -7.613 1.00 33.43 H new ATOM 0 HB2 PHE A 63 -7.666 -3.993 -8.460 1.00 3.22 H new ATOM 0 HB3 PHE A 63 -7.260 -3.878 -6.759 1.00 3.22 H new ATOM 0 HD1 PHE A 63 -8.491 -1.957 -9.674 1.00 65.14 H new ATOM 0 HD2 PHE A 63 -7.935 -1.994 -5.451 1.00 54.03 H new ATOM 0 HE1 PHE A 63 -9.909 0.038 -9.472 1.00 61.22 H new ATOM 0 HE2 PHE A 63 -9.354 0.001 -5.245 1.00 34.31 H new ATOM 0 HZ PHE A 63 -10.350 1.017 -7.255 1.00 43.14 H new ATOM 1009 N PRO A 64 -4.587 -4.048 -6.225 1.00 52.11 N ATOM 1010 CA PRO A 64 -3.716 -5.022 -5.562 1.00 64.41 C ATOM 1011 C PRO A 64 -4.357 -6.402 -5.466 1.00 21.42 C ATOM 1012 O PRO A 64 -4.999 -6.730 -4.468 1.00 43.33 O ATOM 1013 CB PRO A 64 -3.515 -4.427 -4.166 1.00 74.12 C ATOM 1014 CG PRO A 64 -4.717 -3.576 -3.941 1.00 74.13 C ATOM 1015 CD PRO A 64 -5.097 -3.031 -5.290 1.00 42.33 C ATOM 0 HA PRO A 64 -2.787 -5.178 -6.111 1.00 64.41 H new ATOM 0 HB2 PRO A 64 -3.436 -5.208 -3.410 1.00 74.12 H new ATOM 0 HB3 PRO A 64 -2.598 -3.839 -4.114 1.00 74.12 H new ATOM 0 HG2 PRO A 64 -5.532 -4.158 -3.512 1.00 74.13 H new ATOM 0 HG3 PRO A 64 -4.498 -2.769 -3.242 1.00 74.13 H new ATOM 0 HD2 PRO A 64 -6.176 -2.905 -5.383 1.00 42.33 H new ATOM 0 HD3 PRO A 64 -4.645 -2.056 -5.471 1.00 42.33 H new ATOM 1023 N GLU A 65 -4.178 -7.207 -6.509 1.00 32.23 N ATOM 1024 CA GLU A 65 -4.741 -8.552 -6.540 1.00 64.20 C ATOM 1025 C GLU A 65 -3.636 -9.602 -6.613 1.00 22.44 C ATOM 1026 O GLU A 65 -2.773 -9.550 -7.488 1.00 71.24 O ATOM 1027 CB GLU A 65 -5.685 -8.706 -7.734 1.00 31.30 C ATOM 1028 CG GLU A 65 -6.927 -7.836 -7.644 1.00 35.35 C ATOM 1029 CD GLU A 65 -7.923 -8.124 -8.751 1.00 1.33 C ATOM 1030 OE1 GLU A 65 -8.288 -9.304 -8.929 1.00 71.33 O ATOM 1031 OE2 GLU A 65 -8.337 -7.167 -9.439 1.00 3.14 O ATOM 0 H GLU A 65 -3.648 -6.952 -7.342 1.00 32.23 H new ATOM 0 HA GLU A 65 -5.304 -8.704 -5.619 1.00 64.20 H new ATOM 0 HB2 GLU A 65 -5.144 -8.460 -8.648 1.00 31.30 H new ATOM 0 HB3 GLU A 65 -5.988 -9.750 -7.815 1.00 31.30 H new ATOM 0 HG2 GLU A 65 -7.407 -7.994 -6.678 1.00 35.35 H new ATOM 0 HG3 GLU A 65 -6.635 -6.787 -7.687 1.00 35.35 H new ATOM 1038 N GLU A 66 -3.670 -10.554 -5.685 1.00 71.10 N ATOM 1039 CA GLU A 66 -2.671 -11.615 -5.643 1.00 70.42 C ATOM 1040 C GLU A 66 -1.276 -11.040 -5.418 1.00 65.44 C ATOM 1041 O GLU A 66 -0.274 -11.741 -5.564 1.00 54.31 O ATOM 1042 CB GLU A 66 -2.698 -12.423 -6.942 1.00 74.53 C ATOM 1043 CG GLU A 66 -3.269 -13.822 -6.777 1.00 54.23 C ATOM 1044 CD GLU A 66 -2.333 -14.750 -6.028 1.00 12.45 C ATOM 1045 OE1 GLU A 66 -1.419 -15.312 -6.666 1.00 72.13 O ATOM 1046 OE2 GLU A 66 -2.514 -14.913 -4.803 1.00 32.30 O ATOM 0 H GLU A 66 -4.378 -10.612 -4.953 1.00 71.10 H new ATOM 0 HA GLU A 66 -2.913 -12.274 -4.809 1.00 70.42 H new ATOM 0 HB2 GLU A 66 -3.288 -11.884 -7.683 1.00 74.53 H new ATOM 0 HB3 GLU A 66 -1.684 -12.498 -7.335 1.00 74.53 H new ATOM 0 HG2 GLU A 66 -4.218 -13.762 -6.244 1.00 54.23 H new ATOM 0 HG3 GLU A 66 -3.481 -14.242 -7.760 1.00 54.23 H new TER 1053 GLU A 66