USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= -1.64! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.000498 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.07 USER MOD Single : A 22 HIS : no HD1:sc= -8.63! C(o=-8.6!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= -0.0931 (180deg=-0.563) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0244 F(o=-1,f=-0.024) USER MOD Single : A 65 THR OG1 : rot 23:sc= 0.608 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.896 7.610 0.991 1.00 0.00 N ATOM 14 CA ILE A 2 -6.452 7.657 1.354 1.00 0.00 C ATOM 15 C ILE A 2 -5.612 7.812 0.084 1.00 0.00 C ATOM 16 O ILE A 2 -6.130 7.845 -1.014 1.00 0.00 O ATOM 17 CB ILE A 2 -6.063 6.361 2.067 1.00 0.00 C ATOM 18 CG1 ILE A 2 -6.415 5.166 1.180 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.827 6.257 3.389 1.00 0.00 C ATOM 20 CD1 ILE A 2 -5.891 3.880 1.822 1.00 0.00 C ATOM 0 HA ILE A 2 -6.271 8.504 2.016 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.991 6.363 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.495 5.104 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.979 5.294 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.550 5.334 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.577 7.109 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.899 6.255 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.142 3.029 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.808 3.943 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.348 3.750 2.803 1.00 0.00 H new ATOM 32 N ASP A 3 -4.318 7.908 0.225 1.00 0.00 N ATOM 33 CA ASP A 3 -3.448 8.060 -0.974 1.00 0.00 C ATOM 34 C ASP A 3 -2.570 6.817 -1.128 1.00 0.00 C ATOM 35 O ASP A 3 -1.975 6.343 -0.181 1.00 0.00 O ATOM 36 CB ASP A 3 -2.559 9.294 -0.805 1.00 0.00 C ATOM 37 CG ASP A 3 -1.487 9.304 -1.897 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.709 8.684 -2.924 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.462 9.931 -1.687 1.00 0.00 O ATOM 0 H ASP A 3 -3.827 7.888 1.119 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.070 8.178 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.162 10.200 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.091 9.286 0.179 1.00 0.00 H new ATOM 44 N ILE A 4 -2.483 6.284 -2.317 1.00 0.00 N ATOM 45 CA ILE A 4 -1.642 5.072 -2.531 1.00 0.00 C ATOM 46 C ILE A 4 -0.358 5.465 -3.261 1.00 0.00 C ATOM 47 O ILE A 4 -0.335 5.605 -4.468 1.00 0.00 O ATOM 48 CB ILE A 4 -2.417 4.057 -3.373 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.887 4.055 -2.942 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.825 2.663 -3.164 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.622 2.909 -3.642 1.00 0.00 C ATOM 0 H ILE A 4 -2.958 6.635 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.391 4.629 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.346 4.328 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.960 3.941 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.352 5.008 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.377 1.940 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.778 2.663 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.897 2.391 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.668 2.907 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.560 3.043 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.162 1.960 -3.367 1.00 0.00 H new ATOM 63 N LYS A 5 0.715 5.646 -2.539 1.00 0.00 N ATOM 64 CA LYS A 5 1.997 6.029 -3.194 1.00 0.00 C ATOM 65 C LYS A 5 3.100 5.057 -2.766 1.00 0.00 C ATOM 66 O LYS A 5 2.928 4.272 -1.856 1.00 0.00 O ATOM 67 CB LYS A 5 2.380 7.450 -2.773 1.00 0.00 C ATOM 68 CG LYS A 5 2.394 7.544 -1.247 1.00 0.00 C ATOM 69 CD LYS A 5 2.658 8.991 -0.826 1.00 0.00 C ATOM 70 CE LYS A 5 4.146 9.173 -0.525 1.00 0.00 C ATOM 71 NZ LYS A 5 4.328 9.477 0.922 1.00 0.00 N ATOM 0 H LYS A 5 0.758 5.545 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 5 1.877 5.989 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.361 7.707 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.670 8.167 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.440 7.205 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.164 6.889 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.351 9.673 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.065 9.238 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.694 8.269 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.554 9.982 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.340 9.601 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.817 10.351 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.953 8.692 1.492 1.00 0.00 H new ATOM 85 N ALA A 6 4.230 5.105 -3.415 1.00 0.00 N ATOM 86 CA ALA A 6 5.342 4.185 -3.045 1.00 0.00 C ATOM 87 C ALA A 6 5.945 4.625 -1.708 1.00 0.00 C ATOM 88 O ALA A 6 5.876 5.784 -1.351 1.00 0.00 O ATOM 89 CB ALA A 6 6.419 4.224 -4.129 1.00 0.00 C ATOM 0 H ALA A 6 4.432 5.742 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 6 4.958 3.169 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.232 3.551 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.989 3.910 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.804 5.239 -4.223 1.00 0.00 H new ATOM 95 N PRO A 7 6.520 3.679 -1.009 1.00 0.00 N ATOM 96 CA PRO A 7 7.151 3.931 0.299 1.00 0.00 C ATOM 97 C PRO A 7 8.525 4.579 0.113 1.00 0.00 C ATOM 98 O PRO A 7 9.272 4.230 -0.779 1.00 0.00 O ATOM 99 CB PRO A 7 7.284 2.532 0.907 1.00 0.00 C ATOM 100 CG PRO A 7 7.257 1.537 -0.277 1.00 0.00 C ATOM 101 CD PRO A 7 6.595 2.274 -1.458 1.00 0.00 C ATOM 0 HA PRO A 7 6.578 4.612 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.213 2.440 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.468 2.331 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.266 1.217 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.695 0.640 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.185 2.178 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.606 1.871 -1.675 1.00 0.00 H new ATOM 109 N THR A 8 8.866 5.522 0.950 1.00 0.00 N ATOM 110 CA THR A 8 10.190 6.191 0.820 1.00 0.00 C ATOM 111 C THR A 8 11.304 5.160 1.020 1.00 0.00 C ATOM 112 O THR A 8 11.309 4.415 1.980 1.00 0.00 O ATOM 113 CB THR A 8 10.313 7.287 1.881 1.00 0.00 C ATOM 114 OG1 THR A 8 11.577 7.924 1.756 1.00 0.00 O ATOM 115 CG2 THR A 8 10.185 6.669 3.275 1.00 0.00 C ATOM 0 H THR A 8 8.284 5.857 1.718 1.00 0.00 H new ATOM 0 HA THR A 8 10.278 6.634 -0.172 1.00 0.00 H new ATOM 0 HB THR A 8 9.520 8.021 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.657 8.628 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.273 7.451 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.215 6.181 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.976 5.934 3.421 1.00 0.00 H new ATOM 123 N PHE A 9 12.248 5.112 0.120 1.00 0.00 N ATOM 124 CA PHE A 9 13.360 4.130 0.260 1.00 0.00 C ATOM 125 C PHE A 9 14.569 4.816 0.903 1.00 0.00 C ATOM 126 O PHE A 9 14.752 6.009 0.759 1.00 0.00 O ATOM 127 CB PHE A 9 13.749 3.600 -1.122 1.00 0.00 C ATOM 128 CG PHE A 9 12.503 3.220 -1.884 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.948 1.943 -1.728 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.901 4.144 -2.749 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.791 1.590 -2.436 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.745 3.791 -3.457 1.00 0.00 C ATOM 133 CZ PHE A 9 10.189 2.514 -3.301 1.00 0.00 C ATOM 0 H PHE A 9 12.297 5.710 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 9 13.036 3.301 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.306 4.359 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.404 2.735 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.412 1.230 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.329 5.128 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.363 0.606 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.282 4.503 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.298 2.242 -3.847 1.00 0.00 H new ATOM 143 N PRO A 10 15.361 4.036 1.594 1.00 0.00 N ATOM 144 CA PRO A 10 16.568 4.532 2.276 1.00 0.00 C ATOM 145 C PRO A 10 17.705 4.731 1.270 1.00 0.00 C ATOM 146 O PRO A 10 17.606 4.347 0.121 1.00 0.00 O ATOM 147 CB PRO A 10 16.904 3.414 3.267 1.00 0.00 C ATOM 148 CG PRO A 10 16.239 2.129 2.719 1.00 0.00 C ATOM 149 CD PRO A 10 15.124 2.587 1.758 1.00 0.00 C ATOM 0 HA PRO A 10 16.422 5.496 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.983 3.285 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.528 3.651 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.968 1.507 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.829 1.528 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.181 2.063 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.135 2.389 2.172 1.00 0.00 H new ATOM 157 N GLU A 11 18.786 5.330 1.691 1.00 0.00 N ATOM 158 CA GLU A 11 19.926 5.552 0.758 1.00 0.00 C ATOM 159 C GLU A 11 20.196 4.268 -0.029 1.00 0.00 C ATOM 160 O GLU A 11 20.221 4.269 -1.245 1.00 0.00 O ATOM 161 CB GLU A 11 21.174 5.931 1.560 1.00 0.00 C ATOM 162 CG GLU A 11 21.425 7.434 1.433 1.00 0.00 C ATOM 163 CD GLU A 11 22.768 7.784 2.074 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.786 7.473 1.477 1.00 0.00 O ATOM 165 OE2 GLU A 11 22.758 8.358 3.150 1.00 0.00 O ATOM 0 H GLU A 11 18.928 5.675 2.640 1.00 0.00 H new ATOM 0 HA GLU A 11 19.680 6.358 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.042 5.661 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.037 5.375 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.424 7.726 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.623 7.990 1.919 1.00 0.00 H new ATOM 172 N SER A 12 20.401 3.174 0.652 1.00 0.00 N ATOM 173 CA SER A 12 20.671 1.892 -0.054 1.00 0.00 C ATOM 174 C SER A 12 19.721 1.752 -1.245 1.00 0.00 C ATOM 175 O SER A 12 20.140 1.697 -2.384 1.00 0.00 O ATOM 176 CB SER A 12 20.454 0.725 0.909 1.00 0.00 C ATOM 177 OG SER A 12 21.585 -0.136 0.865 1.00 0.00 O ATOM 0 H SER A 12 20.393 3.114 1.670 1.00 0.00 H new ATOM 0 HA SER A 12 21.701 1.885 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.305 1.097 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.553 0.176 0.636 1.00 0.00 H new ATOM 0 HG SER A 12 21.450 -0.885 1.483 1.00 0.00 H new ATOM 183 N ILE A 13 18.442 1.694 -0.992 1.00 0.00 N ATOM 184 CA ILE A 13 17.466 1.558 -2.111 1.00 0.00 C ATOM 185 C ILE A 13 16.993 2.946 -2.547 1.00 0.00 C ATOM 186 O ILE A 13 16.412 3.685 -1.776 1.00 0.00 O ATOM 187 CB ILE A 13 16.266 0.734 -1.643 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.756 -0.593 -1.056 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.343 0.453 -2.831 1.00 0.00 C ATOM 190 CD1 ILE A 13 17.707 -1.269 -2.045 1.00 0.00 C ATOM 0 H ILE A 13 18.031 1.735 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 13 17.945 1.057 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 13 15.720 1.291 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.265 -0.418 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.908 -1.245 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.488 -0.134 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.993 1.396 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.889 -0.103 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.056 -2.213 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.183 -1.458 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.561 -0.618 -2.232 1.00 0.00 H new ATOM 202 N ALA A 14 17.235 3.306 -3.777 1.00 0.00 N ATOM 203 CA ALA A 14 16.798 4.646 -4.261 1.00 0.00 C ATOM 204 C ALA A 14 15.452 4.516 -4.977 1.00 0.00 C ATOM 205 O ALA A 14 15.012 5.419 -5.660 1.00 0.00 O ATOM 206 CB ALA A 14 17.841 5.203 -5.231 1.00 0.00 C ATOM 0 H ALA A 14 17.716 2.730 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 14 16.694 5.322 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.522 6.183 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.800 5.296 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 14 17.946 4.527 -6.080 1.00 0.00 H new ATOM 212 N ASP A 15 14.796 3.397 -4.828 1.00 0.00 N ATOM 213 CA ASP A 15 13.480 3.210 -5.501 1.00 0.00 C ATOM 214 C ASP A 15 13.077 1.736 -5.430 1.00 0.00 C ATOM 215 O ASP A 15 13.710 0.941 -4.764 1.00 0.00 O ATOM 216 CB ASP A 15 13.589 3.641 -6.965 1.00 0.00 C ATOM 217 CG ASP A 15 14.990 3.321 -7.489 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.596 2.394 -6.977 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.434 4.010 -8.394 1.00 0.00 O ATOM 0 H ASP A 15 15.115 2.605 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 15 12.726 3.817 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.839 3.125 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.390 4.709 -7.056 1.00 0.00 H new ATOM 224 N GLY A 16 12.029 1.364 -6.112 1.00 0.00 N ATOM 225 CA GLY A 16 11.587 -0.059 -6.083 1.00 0.00 C ATOM 226 C GLY A 16 10.948 -0.424 -7.424 1.00 0.00 C ATOM 227 O GLY A 16 11.173 0.224 -8.427 1.00 0.00 O ATOM 0 H GLY A 16 11.460 1.984 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.438 -0.711 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.872 -0.212 -5.274 1.00 0.00 H new ATOM 231 N THR A 17 10.150 -1.457 -7.450 1.00 0.00 N ATOM 232 CA THR A 17 9.496 -1.862 -8.725 1.00 0.00 C ATOM 233 C THR A 17 8.142 -2.508 -8.422 1.00 0.00 C ATOM 234 O THR A 17 8.055 -3.473 -7.689 1.00 0.00 O ATOM 235 CB THR A 17 10.388 -2.867 -9.459 1.00 0.00 C ATOM 236 OG1 THR A 17 11.591 -2.226 -9.859 1.00 0.00 O ATOM 237 CG2 THR A 17 9.655 -3.397 -10.692 1.00 0.00 C ATOM 0 H THR A 17 9.923 -2.038 -6.643 1.00 0.00 H new ATOM 0 HA THR A 17 9.347 -0.983 -9.352 1.00 0.00 H new ATOM 0 HB THR A 17 10.623 -3.698 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.164 -2.868 -10.328 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.291 -4.112 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.733 -3.889 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.418 -2.568 -11.359 1.00 0.00 H new ATOM 245 N VAL A 18 7.086 -1.984 -8.981 1.00 0.00 N ATOM 246 CA VAL A 18 5.740 -2.569 -8.723 1.00 0.00 C ATOM 247 C VAL A 18 5.802 -4.088 -8.903 1.00 0.00 C ATOM 248 O VAL A 18 6.770 -4.624 -9.404 1.00 0.00 O ATOM 249 CB VAL A 18 4.730 -1.979 -9.710 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.327 -2.482 -9.366 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.761 -0.453 -9.617 1.00 0.00 C ATOM 0 H VAL A 18 7.097 -1.177 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 18 5.431 -2.336 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 18 4.988 -2.288 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.607 -2.062 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.305 -3.570 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.068 -2.173 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.042 -0.031 -10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.502 -0.145 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.761 -0.094 -9.861 1.00 0.00 H new ATOM 261 N ALA A 19 4.776 -4.785 -8.498 1.00 0.00 N ATOM 262 CA ALA A 19 4.779 -6.268 -8.645 1.00 0.00 C ATOM 263 C ALA A 19 3.710 -6.681 -9.661 1.00 0.00 C ATOM 264 O ALA A 19 4.012 -7.034 -10.783 1.00 0.00 O ATOM 265 CB ALA A 19 4.475 -6.916 -7.293 1.00 0.00 C ATOM 0 H ALA A 19 3.937 -4.392 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 19 5.758 -6.597 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.477 -8.001 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.235 -6.622 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.496 -6.588 -6.944 1.00 0.00 H new ATOM 271 N THR A 20 2.464 -6.639 -9.275 1.00 0.00 N ATOM 272 CA THR A 20 1.380 -7.031 -10.219 1.00 0.00 C ATOM 273 C THR A 20 0.050 -6.444 -9.740 1.00 0.00 C ATOM 274 O THR A 20 -0.282 -6.508 -8.573 1.00 0.00 O ATOM 275 CB THR A 20 1.275 -8.557 -10.271 1.00 0.00 C ATOM 276 OG1 THR A 20 2.395 -9.083 -10.968 1.00 0.00 O ATOM 277 CG2 THR A 20 -0.012 -8.958 -10.994 1.00 0.00 C ATOM 0 H THR A 20 2.150 -6.351 -8.348 1.00 0.00 H new ATOM 0 HA THR A 20 1.609 -6.649 -11.214 1.00 0.00 H new ATOM 0 HB THR A 20 1.258 -8.955 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.935 -8.346 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.085 -10.045 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.871 -8.554 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.002 -8.561 -12.009 1.00 0.00 H new ATOM 285 N TRP A 21 -0.713 -5.871 -10.630 1.00 0.00 N ATOM 286 CA TRP A 21 -2.013 -5.282 -10.233 1.00 0.00 C ATOM 287 C TRP A 21 -3.111 -6.342 -10.346 1.00 0.00 C ATOM 288 O TRP A 21 -3.792 -6.439 -11.347 1.00 0.00 O ATOM 289 CB TRP A 21 -2.325 -4.118 -11.166 1.00 0.00 C ATOM 290 CG TRP A 21 -1.782 -2.851 -10.587 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.604 -2.279 -10.931 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.373 -1.991 -9.571 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.438 -1.123 -10.188 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.498 -0.906 -9.340 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.571 -2.047 -8.835 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.794 0.088 -8.416 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.876 -1.044 -7.897 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.987 0.023 -7.690 1.00 0.00 C ATOM 0 H TRP A 21 -0.486 -5.787 -11.621 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.965 -4.929 -9.203 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.887 -4.298 -12.148 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.402 -4.032 -11.309 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.091 -2.661 -11.664 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.372 -0.507 -10.261 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.260 -2.864 -8.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.107 0.906 -8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.797 -1.095 -7.334 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.225 0.793 -6.971 1.00 0.00 H new ATOM 309 N HIS A 22 -3.281 -7.142 -9.328 1.00 0.00 N ATOM 310 CA HIS A 22 -4.340 -8.205 -9.381 1.00 0.00 C ATOM 311 C HIS A 22 -5.614 -7.626 -9.998 1.00 0.00 C ATOM 312 O HIS A 22 -6.086 -8.086 -11.018 1.00 0.00 O ATOM 313 CB HIS A 22 -4.656 -8.720 -7.969 1.00 0.00 C ATOM 314 CG HIS A 22 -3.411 -8.688 -7.134 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.987 -7.532 -6.504 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.460 -9.638 -6.858 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.826 -7.805 -5.897 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.457 -9.077 -6.074 1.00 0.00 N ATOM 0 H HIS A 22 -2.739 -7.110 -8.465 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.973 -9.032 -9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.430 -8.104 -7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.046 -9.736 -8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.486 -10.663 -7.197 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.255 -7.083 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.621 -9.537 -5.713 1.00 0.00 H new ATOM 326 N LYS A 23 -6.177 -6.620 -9.386 1.00 0.00 N ATOM 327 CA LYS A 23 -7.421 -6.014 -9.938 1.00 0.00 C ATOM 328 C LYS A 23 -7.072 -4.743 -10.713 1.00 0.00 C ATOM 329 O LYS A 23 -5.917 -4.435 -10.932 1.00 0.00 O ATOM 330 CB LYS A 23 -8.373 -5.668 -8.790 1.00 0.00 C ATOM 331 CG LYS A 23 -8.721 -6.939 -8.014 1.00 0.00 C ATOM 332 CD LYS A 23 -10.217 -7.229 -8.152 1.00 0.00 C ATOM 333 CE LYS A 23 -10.436 -8.737 -8.295 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.886 -9.012 -8.493 1.00 0.00 N ATOM 0 H LYS A 23 -5.829 -6.192 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.904 -6.725 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.909 -4.939 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.280 -5.209 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.140 -7.780 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.459 -6.819 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.752 -6.855 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.620 -6.709 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.864 -9.120 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.075 -9.254 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.035 -10.037 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.421 -8.661 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.216 -8.531 -9.354 1.00 0.00 H new ATOM 348 N LYS A 24 -8.061 -4.002 -11.129 1.00 0.00 N ATOM 349 CA LYS A 24 -7.788 -2.750 -11.891 1.00 0.00 C ATOM 350 C LYS A 24 -8.580 -1.593 -11.274 1.00 0.00 C ATOM 351 O LYS A 24 -9.447 -1.807 -10.450 1.00 0.00 O ATOM 352 CB LYS A 24 -8.213 -2.938 -13.349 1.00 0.00 C ATOM 353 CG LYS A 24 -6.970 -3.072 -14.230 1.00 0.00 C ATOM 354 CD LYS A 24 -6.965 -4.447 -14.899 1.00 0.00 C ATOM 355 CE LYS A 24 -8.215 -4.597 -15.769 1.00 0.00 C ATOM 356 NZ LYS A 24 -7.930 -5.535 -16.890 1.00 0.00 N ATOM 0 H LYS A 24 -9.048 -4.209 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.723 -2.524 -11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.837 -3.826 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.814 -2.089 -13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.961 -2.288 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.070 -2.945 -13.629 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.069 -4.563 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.940 -5.231 -14.142 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.045 -4.971 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.517 -3.626 -16.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.779 -5.637 -17.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.150 -5.160 -17.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.662 -6.464 -16.506 1.00 0.00 H new ATOM 370 N PRO A 25 -8.256 -0.399 -11.697 1.00 0.00 N ATOM 371 CA PRO A 25 -8.919 0.824 -11.211 1.00 0.00 C ATOM 372 C PRO A 25 -10.299 0.976 -11.858 1.00 0.00 C ATOM 373 O PRO A 25 -10.420 1.145 -13.056 1.00 0.00 O ATOM 374 CB PRO A 25 -7.978 1.946 -11.659 1.00 0.00 C ATOM 375 CG PRO A 25 -7.151 1.377 -12.836 1.00 0.00 C ATOM 376 CD PRO A 25 -7.199 -0.157 -12.701 1.00 0.00 C ATOM 0 HA PRO A 25 -9.087 0.822 -10.134 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.542 2.825 -11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.327 2.257 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.566 1.696 -13.792 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.123 1.738 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.436 -0.633 -13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.240 -0.558 -12.374 1.00 0.00 H new ATOM 384 N GLY A 26 -11.341 0.917 -11.074 1.00 0.00 N ATOM 385 CA GLY A 26 -12.711 1.058 -11.644 1.00 0.00 C ATOM 386 C GLY A 26 -13.604 -0.061 -11.104 1.00 0.00 C ATOM 387 O GLY A 26 -14.810 -0.032 -11.253 1.00 0.00 O ATOM 0 H GLY A 26 -11.303 0.777 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.128 2.030 -11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.670 1.013 -12.732 1.00 0.00 H new ATOM 391 N GLU A 27 -13.021 -1.045 -10.476 1.00 0.00 N ATOM 392 CA GLU A 27 -13.836 -2.165 -9.926 1.00 0.00 C ATOM 393 C GLU A 27 -14.136 -1.900 -8.449 1.00 0.00 C ATOM 394 O GLU A 27 -13.839 -0.845 -7.926 1.00 0.00 O ATOM 395 CB GLU A 27 -13.060 -3.476 -10.063 1.00 0.00 C ATOM 396 CG GLU A 27 -11.764 -3.389 -9.252 1.00 0.00 C ATOM 397 CD GLU A 27 -11.907 -4.215 -7.972 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.539 -5.258 -8.030 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.382 -3.790 -6.956 1.00 0.00 O ATOM 0 H GLU A 27 -12.016 -1.122 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.772 -2.239 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.667 -4.309 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.833 -3.669 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.926 -3.758 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.546 -2.350 -9.005 1.00 0.00 H new ATOM 406 N ALA A 28 -14.721 -2.851 -7.773 1.00 0.00 N ATOM 407 CA ALA A 28 -15.038 -2.652 -6.331 1.00 0.00 C ATOM 408 C ALA A 28 -13.989 -3.367 -5.475 1.00 0.00 C ATOM 409 O ALA A 28 -13.412 -4.355 -5.882 1.00 0.00 O ATOM 410 CB ALA A 28 -16.422 -3.229 -6.028 1.00 0.00 C ATOM 0 H ALA A 28 -14.993 -3.756 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.031 -1.587 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.654 -3.083 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.169 -2.721 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.430 -4.295 -6.258 1.00 0.00 H new ATOM 416 N VAL A 29 -13.740 -2.874 -4.293 1.00 0.00 N ATOM 417 CA VAL A 29 -12.728 -3.526 -3.414 1.00 0.00 C ATOM 418 C VAL A 29 -13.421 -4.090 -2.171 1.00 0.00 C ATOM 419 O VAL A 29 -14.560 -3.777 -1.889 1.00 0.00 O ATOM 420 CB VAL A 29 -11.681 -2.495 -2.990 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.052 -1.865 -4.233 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.351 -1.404 -2.150 1.00 0.00 C ATOM 0 H VAL A 29 -14.192 -2.049 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.241 -4.335 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.907 -2.986 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.306 -1.130 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.575 -2.641 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.826 -1.374 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.606 -0.669 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.125 -0.914 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.800 -1.852 -1.263 1.00 0.00 H new ATOM 432 N LYS A 30 -12.743 -4.920 -1.427 1.00 0.00 N ATOM 433 CA LYS A 30 -13.363 -5.503 -0.205 1.00 0.00 C ATOM 434 C LYS A 30 -12.520 -5.139 1.019 1.00 0.00 C ATOM 435 O LYS A 30 -11.309 -5.239 1.002 1.00 0.00 O ATOM 436 CB LYS A 30 -13.430 -7.026 -0.343 1.00 0.00 C ATOM 437 CG LYS A 30 -14.725 -7.417 -1.058 1.00 0.00 C ATOM 438 CD LYS A 30 -14.811 -8.941 -1.162 1.00 0.00 C ATOM 439 CE LYS A 30 -15.114 -9.338 -2.607 1.00 0.00 C ATOM 440 NZ LYS A 30 -14.358 -10.577 -2.949 1.00 0.00 N ATOM 0 H LYS A 30 -11.786 -5.220 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.370 -5.104 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.569 -7.389 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.390 -7.493 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.585 -7.030 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.752 -6.972 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.872 -9.392 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.590 -9.318 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.184 -9.505 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.835 -8.530 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.563 -10.849 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.338 -10.402 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.645 -11.346 -2.310 1.00 0.00 H new ATOM 454 N ARG A 31 -13.152 -4.713 2.080 1.00 0.00 N ATOM 455 CA ARG A 31 -12.390 -4.340 3.304 1.00 0.00 C ATOM 456 C ARG A 31 -11.295 -5.376 3.565 1.00 0.00 C ATOM 457 O ARG A 31 -11.569 -6.520 3.870 1.00 0.00 O ATOM 458 CB ARG A 31 -13.342 -4.293 4.500 1.00 0.00 C ATOM 459 CG ARG A 31 -12.578 -3.835 5.744 1.00 0.00 C ATOM 460 CD ARG A 31 -12.969 -4.710 6.936 1.00 0.00 C ATOM 461 NE ARG A 31 -11.742 -5.116 7.677 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.818 -5.433 8.941 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.401 -6.543 9.302 1.00 0.00 N ATOM 464 NH2 ARG A 31 -11.311 -4.640 9.844 1.00 0.00 N ATOM 0 H ARG A 31 -14.164 -4.608 2.151 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.933 -3.361 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.167 -3.610 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.778 -5.277 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.504 -3.900 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.803 -2.790 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.642 -4.164 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.508 -5.593 6.592 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.843 -5.146 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.798 -7.164 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.460 -6.790 10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.855 -3.772 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.370 -4.888 10.832 1.00 0.00 H new ATOM 478 N ASP A 32 -10.056 -4.984 3.448 1.00 0.00 N ATOM 479 CA ASP A 32 -8.944 -5.946 3.690 1.00 0.00 C ATOM 480 C ASP A 32 -8.810 -6.885 2.488 1.00 0.00 C ATOM 481 O ASP A 32 -8.875 -8.091 2.621 1.00 0.00 O ATOM 482 CB ASP A 32 -9.244 -6.766 4.946 1.00 0.00 C ATOM 483 CG ASP A 32 -7.935 -7.300 5.533 1.00 0.00 C ATOM 484 OD1 ASP A 32 -6.933 -6.615 5.415 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.958 -8.386 6.089 1.00 0.00 O ATOM 0 H ASP A 32 -9.766 -4.039 3.195 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.012 -5.397 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.759 -6.148 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.910 -7.594 4.702 1.00 0.00 H new ATOM 490 N GLU A 33 -8.625 -6.341 1.317 1.00 0.00 N ATOM 491 CA GLU A 33 -8.487 -7.203 0.109 1.00 0.00 C ATOM 492 C GLU A 33 -7.261 -6.762 -0.694 1.00 0.00 C ATOM 493 O GLU A 33 -7.138 -5.615 -1.076 1.00 0.00 O ATOM 494 CB GLU A 33 -9.740 -7.070 -0.759 1.00 0.00 C ATOM 495 CG GLU A 33 -9.888 -8.314 -1.636 1.00 0.00 C ATOM 496 CD GLU A 33 -10.867 -8.023 -2.775 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.149 -6.859 -3.003 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.318 -8.969 -3.399 1.00 0.00 O ATOM 0 H GLU A 33 -8.563 -5.338 1.144 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.367 -8.242 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.621 -6.950 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.670 -6.179 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.918 -8.604 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.247 -9.152 -1.039 1.00 0.00 H new ATOM 505 N LEU A 34 -6.353 -7.665 -0.950 1.00 0.00 N ATOM 506 CA LEU A 34 -5.135 -7.302 -1.725 1.00 0.00 C ATOM 507 C LEU A 34 -5.525 -6.409 -2.906 1.00 0.00 C ATOM 508 O LEU A 34 -6.622 -6.488 -3.420 1.00 0.00 O ATOM 509 CB LEU A 34 -4.465 -8.575 -2.248 1.00 0.00 C ATOM 510 CG LEU A 34 -3.185 -8.206 -3.000 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.167 -7.620 -2.019 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.599 -9.460 -3.652 1.00 0.00 C ATOM 0 H LEU A 34 -6.404 -8.640 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.441 -6.765 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.232 -9.243 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.146 -9.112 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.415 -7.468 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.255 -7.357 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.584 -6.727 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.936 -8.357 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.687 -9.199 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.369 -10.197 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.323 -9.879 -4.351 1.00 0.00 H new ATOM 524 N ILE A 35 -4.633 -5.560 -3.338 1.00 0.00 N ATOM 525 CA ILE A 35 -4.953 -4.664 -4.485 1.00 0.00 C ATOM 526 C ILE A 35 -3.750 -4.592 -5.427 1.00 0.00 C ATOM 527 O ILE A 35 -3.893 -4.615 -6.634 1.00 0.00 O ATOM 528 CB ILE A 35 -5.275 -3.262 -3.961 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.541 -3.317 -3.104 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.499 -2.315 -5.142 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.730 -1.980 -2.385 1.00 0.00 C ATOM 0 H ILE A 35 -3.698 -5.448 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.814 -5.058 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.443 -2.899 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.407 -3.531 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.466 -4.125 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.728 -1.317 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.597 -2.276 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.331 -2.677 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.632 -2.020 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.868 -1.785 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.825 -1.181 -3.121 1.00 0.00 H new ATOM 543 N VAL A 36 -2.566 -4.508 -4.887 1.00 0.00 N ATOM 544 CA VAL A 36 -1.356 -4.436 -5.754 1.00 0.00 C ATOM 545 C VAL A 36 -0.129 -4.883 -4.955 1.00 0.00 C ATOM 546 O VAL A 36 0.064 -4.487 -3.823 1.00 0.00 O ATOM 547 CB VAL A 36 -1.156 -2.998 -6.234 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.849 -2.097 -5.036 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.013 -2.948 -7.220 1.00 0.00 C ATOM 0 H VAL A 36 -2.384 -4.486 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.487 -5.091 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.064 -2.651 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.706 -1.072 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.680 -2.132 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.059 -2.444 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.156 -1.923 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.920 -3.296 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.204 -3.589 -8.074 1.00 0.00 H new ATOM 559 N ASP A 37 0.701 -5.705 -5.536 1.00 0.00 N ATOM 560 CA ASP A 37 1.912 -6.177 -4.809 1.00 0.00 C ATOM 561 C ASP A 37 3.095 -5.264 -5.143 1.00 0.00 C ATOM 562 O ASP A 37 3.139 -4.648 -6.189 1.00 0.00 O ATOM 563 CB ASP A 37 2.238 -7.610 -5.237 1.00 0.00 C ATOM 564 CG ASP A 37 1.493 -8.594 -4.333 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.564 -8.170 -3.668 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.865 -9.756 -4.323 1.00 0.00 O ATOM 0 H ASP A 37 0.593 -6.070 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 37 1.724 -6.152 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.950 -7.765 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.312 -7.784 -5.175 1.00 0.00 H new ATOM 571 N ILE A 38 4.053 -5.172 -4.262 1.00 0.00 N ATOM 572 CA ILE A 38 5.230 -4.300 -4.530 1.00 0.00 C ATOM 573 C ILE A 38 6.508 -5.140 -4.489 1.00 0.00 C ATOM 574 O ILE A 38 6.557 -6.181 -3.864 1.00 0.00 O ATOM 575 CB ILE A 38 5.306 -3.204 -3.465 1.00 0.00 C ATOM 576 CG1 ILE A 38 3.891 -2.749 -3.102 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.099 -2.015 -4.011 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.966 -1.520 -2.195 1.00 0.00 C ATOM 0 H ILE A 38 4.071 -5.663 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 38 5.127 -3.844 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 38 5.803 -3.594 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.331 -2.513 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.357 -3.554 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.153 -1.234 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.107 -2.338 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.603 -1.624 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.958 -1.196 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.510 -1.772 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.483 -0.714 -2.716 1.00 0.00 H new ATOM 590 N GLU A 39 7.543 -4.696 -5.149 1.00 0.00 N ATOM 591 CA GLU A 39 8.815 -5.470 -5.147 1.00 0.00 C ATOM 592 C GLU A 39 9.966 -4.557 -4.719 1.00 0.00 C ATOM 593 O GLU A 39 9.988 -3.383 -5.028 1.00 0.00 O ATOM 594 CB GLU A 39 9.087 -6.009 -6.553 1.00 0.00 C ATOM 595 CG GLU A 39 9.148 -7.536 -6.512 1.00 0.00 C ATOM 596 CD GLU A 39 10.406 -8.017 -7.239 1.00 0.00 C ATOM 597 OE1 GLU A 39 10.638 -7.559 -8.345 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.116 -8.834 -6.676 1.00 0.00 O ATOM 0 H GLU A 39 7.562 -3.831 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 39 8.733 -6.303 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.302 -5.684 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.027 -5.607 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.158 -7.882 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.260 -7.959 -6.982 1.00 0.00 H new ATOM 605 N THR A 40 10.925 -5.088 -4.009 1.00 0.00 N ATOM 606 CA THR A 40 12.073 -4.251 -3.563 1.00 0.00 C ATOM 607 C THR A 40 13.385 -4.962 -3.902 1.00 0.00 C ATOM 608 O THR A 40 13.392 -6.019 -4.502 1.00 0.00 O ATOM 609 CB THR A 40 11.988 -4.032 -2.051 1.00 0.00 C ATOM 610 OG1 THR A 40 10.628 -4.079 -1.644 1.00 0.00 O ATOM 611 CG2 THR A 40 12.582 -2.667 -1.696 1.00 0.00 C ATOM 0 H THR A 40 10.962 -6.065 -3.719 1.00 0.00 H new ATOM 0 HA THR A 40 12.039 -3.288 -4.072 1.00 0.00 H new ATOM 0 HB THR A 40 12.549 -4.813 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.436 -4.953 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.521 -2.513 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.626 -2.632 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.023 -1.883 -2.207 1.00 0.00 H new ATOM 619 N ASP A 41 14.496 -4.390 -3.523 1.00 0.00 N ATOM 620 CA ASP A 41 15.806 -5.029 -3.822 1.00 0.00 C ATOM 621 C ASP A 41 15.719 -6.533 -3.554 1.00 0.00 C ATOM 622 O ASP A 41 16.003 -7.344 -4.411 1.00 0.00 O ATOM 623 CB ASP A 41 16.888 -4.414 -2.932 1.00 0.00 C ATOM 624 CG ASP A 41 18.239 -5.058 -3.249 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.251 -6.028 -3.992 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.238 -4.573 -2.746 1.00 0.00 O ATOM 0 H ASP A 41 14.551 -3.505 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 41 16.058 -4.863 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.939 -3.338 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.639 -4.565 -1.882 1.00 0.00 H new ATOM 631 N LYS A 42 15.326 -6.911 -2.367 1.00 0.00 N ATOM 632 CA LYS A 42 15.221 -8.361 -2.045 1.00 0.00 C ATOM 633 C LYS A 42 14.075 -8.580 -1.055 1.00 0.00 C ATOM 634 O LYS A 42 14.063 -9.536 -0.306 1.00 0.00 O ATOM 635 CB LYS A 42 16.533 -8.842 -1.422 1.00 0.00 C ATOM 636 CG LYS A 42 17.712 -8.247 -2.192 1.00 0.00 C ATOM 637 CD LYS A 42 19.025 -8.702 -1.549 1.00 0.00 C ATOM 638 CE LYS A 42 20.132 -8.715 -2.604 1.00 0.00 C ATOM 639 NZ LYS A 42 19.886 -9.825 -3.569 1.00 0.00 N ATOM 0 H LYS A 42 15.074 -6.278 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 42 15.026 -8.924 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.581 -8.544 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.582 -9.931 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.676 -8.564 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.651 -7.159 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.294 -8.032 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.906 -9.696 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.159 -7.761 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 42 21.103 -8.843 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.794 -10.170 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.391 -10.602 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.301 -9.478 -4.355 1.00 0.00 H new ATOM 653 N VAL A 43 13.110 -7.701 -1.046 1.00 0.00 N ATOM 654 CA VAL A 43 11.967 -7.859 -0.104 1.00 0.00 C ATOM 655 C VAL A 43 10.653 -7.625 -0.853 1.00 0.00 C ATOM 656 O VAL A 43 10.497 -6.651 -1.563 1.00 0.00 O ATOM 657 CB VAL A 43 12.095 -6.841 1.029 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.335 -7.344 2.258 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.573 -6.660 1.386 1.00 0.00 C ATOM 0 H VAL A 43 13.064 -6.881 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 43 11.975 -8.867 0.311 1.00 0.00 H new ATOM 0 HB VAL A 43 11.676 -5.887 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.427 -6.617 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.283 -7.476 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.753 -8.298 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.666 -5.934 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.990 -7.615 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.117 -6.302 0.512 1.00 0.00 H new ATOM 669 N VAL A 44 9.707 -8.511 -0.703 1.00 0.00 N ATOM 670 CA VAL A 44 8.406 -8.339 -1.407 1.00 0.00 C ATOM 671 C VAL A 44 7.321 -7.971 -0.393 1.00 0.00 C ATOM 672 O VAL A 44 7.275 -8.501 0.700 1.00 0.00 O ATOM 673 CB VAL A 44 8.028 -9.644 -2.108 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.091 -9.345 -3.279 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.294 -10.326 -2.631 1.00 0.00 C ATOM 0 H VAL A 44 9.779 -9.347 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 44 8.496 -7.543 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 44 7.524 -10.302 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.823 -10.277 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.189 -8.859 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.593 -8.686 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.026 -11.257 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.797 -9.666 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.962 -10.542 -1.797 1.00 0.00 H new ATOM 685 N MET A 45 6.447 -7.069 -0.744 1.00 0.00 N ATOM 686 CA MET A 45 5.367 -6.669 0.200 1.00 0.00 C ATOM 687 C MET A 45 4.020 -6.688 -0.528 1.00 0.00 C ATOM 688 O MET A 45 3.951 -6.914 -1.719 1.00 0.00 O ATOM 689 CB MET A 45 5.644 -5.258 0.725 1.00 0.00 C ATOM 690 CG MET A 45 6.762 -5.311 1.767 1.00 0.00 C ATOM 691 SD MET A 45 7.545 -3.684 1.894 1.00 0.00 S ATOM 692 CE MET A 45 6.642 -3.111 3.354 1.00 0.00 C ATOM 0 H MET A 45 6.434 -6.591 -1.645 1.00 0.00 H new ATOM 0 HA MET A 45 5.338 -7.368 1.036 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.930 -4.602 -0.097 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.740 -4.839 1.167 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.358 -5.609 2.735 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.501 -6.061 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.973 -2.106 3.615 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.574 -3.096 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.835 -3.785 4.189 1.00 0.00 H new ATOM 702 N GLU A 46 2.950 -6.453 0.180 1.00 0.00 N ATOM 703 CA GLU A 46 1.610 -6.457 -0.472 1.00 0.00 C ATOM 704 C GLU A 46 0.906 -5.126 -0.201 1.00 0.00 C ATOM 705 O GLU A 46 1.245 -4.410 0.721 1.00 0.00 O ATOM 706 CB GLU A 46 0.769 -7.603 0.097 1.00 0.00 C ATOM 707 CG GLU A 46 1.667 -8.813 0.360 1.00 0.00 C ATOM 708 CD GLU A 46 0.820 -9.972 0.888 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.144 -9.781 1.885 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.862 -11.033 0.286 1.00 0.00 O ATOM 0 H GLU A 46 2.945 -6.258 1.181 1.00 0.00 H new ATOM 0 HA GLU A 46 1.730 -6.592 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.285 -7.289 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.023 -7.870 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.175 -9.109 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.440 -8.555 1.083 1.00 0.00 H new ATOM 717 N VAL A 47 -0.071 -4.788 -0.998 1.00 0.00 N ATOM 718 CA VAL A 47 -0.794 -3.502 -0.785 1.00 0.00 C ATOM 719 C VAL A 47 -2.303 -3.760 -0.782 1.00 0.00 C ATOM 720 O VAL A 47 -2.953 -3.702 -1.807 1.00 0.00 O ATOM 721 CB VAL A 47 -0.445 -2.529 -1.911 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.883 -1.116 -1.520 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.067 -2.546 -2.147 1.00 0.00 C ATOM 0 H VAL A 47 -0.399 -5.346 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.497 -3.072 0.172 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.960 -2.829 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.634 -0.423 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.960 -1.103 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.368 -0.815 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.318 -1.853 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.581 -2.245 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.380 -3.552 -2.425 1.00 0.00 H new ATOM 733 N LEU A 48 -2.865 -4.043 0.360 1.00 0.00 N ATOM 734 CA LEU A 48 -4.324 -4.303 0.431 1.00 0.00 C ATOM 735 C LEU A 48 -5.032 -3.071 0.998 1.00 0.00 C ATOM 736 O LEU A 48 -4.439 -2.265 1.688 1.00 0.00 O ATOM 737 CB LEU A 48 -4.597 -5.509 1.338 1.00 0.00 C ATOM 738 CG LEU A 48 -3.410 -5.772 2.270 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.839 -6.727 3.385 1.00 0.00 C ATOM 740 CD2 LEU A 48 -2.267 -6.404 1.472 1.00 0.00 C ATOM 0 H LEU A 48 -2.371 -4.105 1.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.699 -4.516 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.495 -5.329 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.788 -6.392 0.728 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.075 -4.831 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.995 -6.914 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.655 -6.280 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.174 -7.668 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.422 -6.592 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.604 -7.345 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.961 -5.726 0.676 1.00 0.00 H new ATOM 752 N ALA A 49 -6.297 -2.917 0.714 1.00 0.00 N ATOM 753 CA ALA A 49 -7.040 -1.738 1.237 1.00 0.00 C ATOM 754 C ALA A 49 -7.391 -1.966 2.708 1.00 0.00 C ATOM 755 O ALA A 49 -7.597 -3.084 3.140 1.00 0.00 O ATOM 756 CB ALA A 49 -8.325 -1.545 0.429 1.00 0.00 C ATOM 0 H ALA A 49 -6.847 -3.558 0.142 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.417 -0.848 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.869 -0.682 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.075 -1.381 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.948 -2.435 0.518 1.00 0.00 H new ATOM 762 N GLU A 50 -7.462 -0.918 3.482 1.00 0.00 N ATOM 763 CA GLU A 50 -7.800 -1.076 4.924 1.00 0.00 C ATOM 764 C GLU A 50 -9.312 -0.937 5.111 1.00 0.00 C ATOM 765 O GLU A 50 -9.801 -0.812 6.216 1.00 0.00 O ATOM 766 CB GLU A 50 -7.082 0.003 5.737 1.00 0.00 C ATOM 767 CG GLU A 50 -6.090 -0.657 6.698 1.00 0.00 C ATOM 768 CD GLU A 50 -5.754 0.314 7.831 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.361 1.372 7.878 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.896 -0.016 8.632 1.00 0.00 O ATOM 0 H GLU A 50 -7.300 0.042 3.177 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.481 -2.060 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.558 0.687 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.807 0.595 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.517 -1.574 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.182 -0.938 6.164 1.00 0.00 H new ATOM 777 N ALA A 51 -10.057 -0.956 4.039 1.00 0.00 N ATOM 778 CA ALA A 51 -11.535 -0.824 4.157 1.00 0.00 C ATOM 779 C ALA A 51 -12.163 -0.855 2.763 1.00 0.00 C ATOM 780 O ALA A 51 -11.561 -0.443 1.792 1.00 0.00 O ATOM 781 CB ALA A 51 -11.877 0.502 4.841 1.00 0.00 C ATOM 0 H ALA A 51 -9.705 -1.057 3.087 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.926 -1.650 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.959 0.598 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.430 0.524 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.485 1.329 4.248 1.00 0.00 H new ATOM 787 N ASP A 52 -13.370 -1.340 2.655 1.00 0.00 N ATOM 788 CA ASP A 52 -14.034 -1.397 1.323 1.00 0.00 C ATOM 789 C ASP A 52 -14.046 0.002 0.703 1.00 0.00 C ATOM 790 O ASP A 52 -13.714 0.982 1.341 1.00 0.00 O ATOM 791 CB ASP A 52 -15.468 -1.932 1.495 1.00 0.00 C ATOM 792 CG ASP A 52 -16.408 -1.352 0.431 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.906 -0.258 0.641 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.613 -2.013 -0.574 1.00 0.00 O ATOM 0 H ASP A 52 -13.925 -1.699 3.432 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.488 -2.067 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.464 -3.020 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.837 -1.677 2.488 1.00 0.00 H new ATOM 799 N GLY A 53 -14.427 0.095 -0.538 1.00 0.00 N ATOM 800 CA GLY A 53 -14.466 1.424 -1.212 1.00 0.00 C ATOM 801 C GLY A 53 -14.319 1.234 -2.723 1.00 0.00 C ATOM 802 O GLY A 53 -14.655 0.199 -3.264 1.00 0.00 O ATOM 0 H GLY A 53 -14.714 -0.693 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.405 1.930 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.664 2.059 -0.835 1.00 0.00 H new ATOM 806 N VAL A 54 -13.819 2.225 -3.409 1.00 0.00 N ATOM 807 CA VAL A 54 -13.651 2.100 -4.885 1.00 0.00 C ATOM 808 C VAL A 54 -12.311 2.709 -5.298 1.00 0.00 C ATOM 809 O VAL A 54 -12.007 3.841 -4.978 1.00 0.00 O ATOM 810 CB VAL A 54 -14.788 2.839 -5.591 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.476 2.950 -7.085 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.095 2.066 -5.401 1.00 0.00 C ATOM 0 H VAL A 54 -13.520 3.115 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.673 1.047 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.890 3.837 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.287 3.477 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.545 3.500 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.373 1.952 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.906 2.593 -5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.992 1.067 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.319 1.986 -4.337 1.00 0.00 H new ATOM 822 N ILE A 55 -11.506 1.968 -6.010 1.00 0.00 N ATOM 823 CA ILE A 55 -10.186 2.505 -6.444 1.00 0.00 C ATOM 824 C ILE A 55 -10.401 3.717 -7.352 1.00 0.00 C ATOM 825 O ILE A 55 -11.451 3.885 -7.941 1.00 0.00 O ATOM 826 CB ILE A 55 -9.424 1.422 -7.208 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.338 0.159 -6.348 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.014 1.920 -7.534 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.327 0.372 -5.219 1.00 0.00 C ATOM 0 H ILE A 55 -11.706 1.014 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.610 2.807 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.948 1.194 -8.136 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.318 -0.077 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.039 -0.691 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.472 1.147 -8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.078 2.819 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.486 2.150 -6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.268 -0.529 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.347 0.587 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.645 1.210 -4.599 1.00 0.00 H new ATOM 841 N ALA A 56 -9.415 4.563 -7.472 1.00 0.00 N ATOM 842 CA ALA A 56 -9.564 5.763 -8.343 1.00 0.00 C ATOM 843 C ALA A 56 -8.939 5.481 -9.711 1.00 0.00 C ATOM 844 O ALA A 56 -9.626 5.359 -10.705 1.00 0.00 O ATOM 845 CB ALA A 56 -8.857 6.955 -7.695 1.00 0.00 C ATOM 0 H ALA A 56 -8.513 4.475 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.622 5.992 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.966 7.833 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.302 7.156 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.799 6.726 -7.570 1.00 0.00 H new ATOM 851 N GLU A 57 -7.639 5.376 -9.769 1.00 0.00 N ATOM 852 CA GLU A 57 -6.972 5.101 -11.072 1.00 0.00 C ATOM 853 C GLU A 57 -5.473 4.897 -10.844 1.00 0.00 C ATOM 854 O GLU A 57 -4.864 5.555 -10.025 1.00 0.00 O ATOM 855 CB GLU A 57 -7.187 6.287 -12.015 1.00 0.00 C ATOM 856 CG GLU A 57 -6.631 7.559 -11.373 1.00 0.00 C ATOM 857 CD GLU A 57 -6.066 8.476 -12.460 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.439 8.300 -13.608 1.00 0.00 O ATOM 859 OE2 GLU A 57 -5.269 9.337 -12.126 1.00 0.00 O ATOM 0 H GLU A 57 -7.011 5.469 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.398 4.201 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.691 6.102 -12.968 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.249 6.409 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.417 8.074 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.851 7.305 -10.655 1.00 0.00 H new ATOM 866 N ILE A 58 -4.872 3.988 -11.564 1.00 0.00 N ATOM 867 CA ILE A 58 -3.413 3.743 -11.389 1.00 0.00 C ATOM 868 C ILE A 58 -2.630 4.577 -12.404 1.00 0.00 C ATOM 869 O ILE A 58 -3.005 4.682 -13.555 1.00 0.00 O ATOM 870 CB ILE A 58 -3.116 2.259 -11.608 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.099 1.415 -10.792 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.686 1.951 -11.156 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.166 1.950 -9.361 1.00 0.00 C ATOM 0 H ILE A 58 -5.329 3.405 -12.265 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.115 4.028 -10.380 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.223 2.021 -12.666 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.088 1.446 -11.250 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.782 0.372 -10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.475 0.893 -11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.984 2.551 -11.736 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.580 2.190 -10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.866 1.349 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.177 1.896 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.503 2.987 -9.375 1.00 0.00 H new ATOM 885 N VAL A 59 -1.547 5.172 -11.988 1.00 0.00 N ATOM 886 CA VAL A 59 -0.742 6.000 -12.929 1.00 0.00 C ATOM 887 C VAL A 59 0.319 5.126 -13.600 1.00 0.00 C ATOM 888 O VAL A 59 0.376 5.019 -14.810 1.00 0.00 O ATOM 889 CB VAL A 59 -0.058 7.130 -12.159 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.607 8.092 -13.144 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.102 7.888 -11.335 1.00 0.00 C ATOM 0 H VAL A 59 -1.184 5.121 -11.036 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.398 6.424 -13.690 1.00 0.00 H new ATOM 0 HB VAL A 59 0.698 6.711 -11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.094 8.897 -12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.350 7.554 -13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.148 8.512 -13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.616 8.694 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.857 8.306 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.577 7.204 -10.632 1.00 0.00 H new ATOM 901 N LYS A 60 1.163 4.500 -12.826 1.00 0.00 N ATOM 902 CA LYS A 60 2.219 3.635 -13.421 1.00 0.00 C ATOM 903 C LYS A 60 1.686 2.208 -13.567 1.00 0.00 C ATOM 904 O LYS A 60 0.698 1.840 -12.966 1.00 0.00 O ATOM 905 CB LYS A 60 3.447 3.631 -12.508 1.00 0.00 C ATOM 906 CG LYS A 60 4.614 4.320 -13.218 1.00 0.00 C ATOM 907 CD LYS A 60 5.069 3.466 -14.403 1.00 0.00 C ATOM 908 CE LYS A 60 4.444 4.006 -15.691 1.00 0.00 C ATOM 909 NZ LYS A 60 5.524 4.425 -16.629 1.00 0.00 N ATOM 0 H LYS A 60 1.166 4.551 -11.807 1.00 0.00 H new ATOM 0 HA LYS A 60 2.497 4.021 -14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.221 4.146 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.718 2.607 -12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.310 5.308 -13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.441 4.466 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.156 3.481 -14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.775 2.428 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.822 3.241 -16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.794 4.852 -15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.100 4.792 -17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.100 5.168 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.126 3.607 -16.852 1.00 0.00 H new ATOM 923 N ASN A 61 2.334 1.402 -14.363 1.00 0.00 N ATOM 924 CA ASN A 61 1.863 0.000 -14.547 1.00 0.00 C ATOM 925 C ASN A 61 2.746 -0.947 -13.733 1.00 0.00 C ATOM 926 O ASN A 61 3.878 -0.639 -13.417 1.00 0.00 O ATOM 927 CB ASN A 61 1.943 -0.375 -16.029 1.00 0.00 C ATOM 928 CG ASN A 61 1.115 0.614 -16.851 1.00 0.00 C ATOM 929 OD1 ASN A 61 1.615 1.787 -17.132 1.00 0.00 O flip ATOM 930 ND2 ASN A 61 0.004 0.318 -17.241 1.00 0.00 N flip ATOM 0 H ASN A 61 3.168 1.653 -14.893 1.00 0.00 H new ATOM 0 HA ASN A 61 0.831 -0.084 -14.206 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.981 -0.362 -16.363 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.572 -1.389 -16.179 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.386 -0.598 -17.021 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.539 0.986 -17.788 1.00 0.00 H new ATOM 937 N GLU A 62 2.237 -2.099 -13.390 1.00 0.00 N ATOM 938 CA GLU A 62 3.046 -3.067 -12.596 1.00 0.00 C ATOM 939 C GLU A 62 4.221 -3.563 -13.442 1.00 0.00 C ATOM 940 O GLU A 62 4.208 -3.472 -14.654 1.00 0.00 O ATOM 941 CB GLU A 62 2.170 -4.255 -12.193 1.00 0.00 C ATOM 942 CG GLU A 62 1.400 -4.759 -13.414 1.00 0.00 C ATOM 943 CD GLU A 62 1.891 -6.159 -13.785 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.974 -6.519 -13.352 1.00 0.00 O ATOM 945 OE2 GLU A 62 1.177 -6.849 -14.494 1.00 0.00 O ATOM 0 H GLU A 62 1.295 -2.412 -13.626 1.00 0.00 H new ATOM 0 HA GLU A 62 3.425 -2.575 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.788 -5.054 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.474 -3.958 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.332 -4.782 -13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.542 -4.078 -14.253 1.00 0.00 H new ATOM 952 N GLY A 63 5.237 -4.087 -12.814 1.00 0.00 N ATOM 953 CA GLY A 63 6.412 -4.587 -13.584 1.00 0.00 C ATOM 954 C GLY A 63 7.331 -3.416 -13.934 1.00 0.00 C ATOM 955 O GLY A 63 8.416 -3.599 -14.448 1.00 0.00 O ATOM 0 H GLY A 63 5.305 -4.191 -11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.956 -5.327 -12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.078 -5.085 -14.494 1.00 0.00 H new ATOM 959 N ASP A 64 6.905 -2.212 -13.663 1.00 0.00 N ATOM 960 CA ASP A 64 7.756 -1.031 -13.981 1.00 0.00 C ATOM 961 C ASP A 64 8.446 -0.545 -12.704 1.00 0.00 C ATOM 962 O ASP A 64 8.149 -0.992 -11.613 1.00 0.00 O ATOM 963 CB ASP A 64 6.873 0.078 -14.584 1.00 0.00 C ATOM 964 CG ASP A 64 7.428 1.469 -14.251 1.00 0.00 C ATOM 965 OD1 ASP A 64 8.264 1.947 -15.000 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.006 2.029 -13.252 1.00 0.00 O ATOM 0 H ASP A 64 6.005 -1.996 -13.235 1.00 0.00 H new ATOM 0 HA ASP A 64 8.523 -1.302 -14.707 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.817 -0.045 -15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.857 -0.013 -14.200 1.00 0.00 H new ATOM 971 N THR A 65 9.364 0.367 -12.839 1.00 0.00 N ATOM 972 CA THR A 65 10.082 0.891 -11.642 1.00 0.00 C ATOM 973 C THR A 65 9.360 2.135 -11.119 1.00 0.00 C ATOM 974 O THR A 65 8.692 2.832 -11.855 1.00 0.00 O ATOM 975 CB THR A 65 11.517 1.257 -12.027 1.00 0.00 C ATOM 976 OG1 THR A 65 12.278 1.484 -10.848 1.00 0.00 O ATOM 977 CG2 THR A 65 11.511 2.523 -12.885 1.00 0.00 C ATOM 0 H THR A 65 9.651 0.775 -13.729 1.00 0.00 H new ATOM 0 HA THR A 65 10.099 0.127 -10.865 1.00 0.00 H new ATOM 0 HB THR A 65 11.961 0.440 -12.595 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.856 1.024 -10.093 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.534 2.782 -13.158 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.927 2.347 -13.789 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.067 3.343 -12.320 1.00 0.00 H new ATOM 985 N VAL A 66 9.490 2.419 -9.852 1.00 0.00 N ATOM 986 CA VAL A 66 8.812 3.617 -9.285 1.00 0.00 C ATOM 987 C VAL A 66 9.825 4.457 -8.504 1.00 0.00 C ATOM 988 O VAL A 66 11.006 4.170 -8.493 1.00 0.00 O ATOM 989 CB VAL A 66 7.689 3.170 -8.346 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.736 2.239 -9.096 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.291 2.427 -7.151 1.00 0.00 C ATOM 0 H VAL A 66 10.036 1.873 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 66 8.394 4.214 -10.095 1.00 0.00 H new ATOM 0 HB VAL A 66 7.141 4.044 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.936 1.921 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.308 2.767 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.284 1.365 -9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.493 2.108 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.839 1.554 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.971 3.090 -6.615 1.00 0.00 H new ATOM 1001 N LEU A 67 9.373 5.492 -7.850 1.00 0.00 N ATOM 1002 CA LEU A 67 10.312 6.348 -7.072 1.00 0.00 C ATOM 1003 C LEU A 67 9.777 6.528 -5.649 1.00 0.00 C ATOM 1004 O LEU A 67 8.663 6.152 -5.343 1.00 0.00 O ATOM 1005 CB LEU A 67 10.432 7.717 -7.747 1.00 0.00 C ATOM 1006 CG LEU A 67 11.852 7.896 -8.287 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.815 8.776 -9.538 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.721 8.566 -7.220 1.00 0.00 C ATOM 0 H LEU A 67 8.395 5.781 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 67 11.292 5.873 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.710 7.799 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.200 8.508 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 67 12.270 6.922 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.827 8.904 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.195 8.302 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.397 9.751 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.733 8.694 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.302 9.540 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.747 7.941 -6.327 1.00 0.00 H new ATOM 1020 N SER A 68 10.563 7.098 -4.778 1.00 0.00 N ATOM 1021 CA SER A 68 10.099 7.300 -3.376 1.00 0.00 C ATOM 1022 C SER A 68 9.046 8.410 -3.342 1.00 0.00 C ATOM 1023 O SER A 68 9.365 9.582 -3.356 1.00 0.00 O ATOM 1024 CB SER A 68 11.286 7.697 -2.499 1.00 0.00 C ATOM 1025 OG SER A 68 10.808 8.343 -1.327 1.00 0.00 O ATOM 0 H SER A 68 11.506 7.433 -4.976 1.00 0.00 H new ATOM 0 HA SER A 68 9.663 6.374 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.866 6.814 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.953 8.362 -3.048 1.00 0.00 H new ATOM 0 HG SER A 68 11.567 8.598 -0.761 1.00 0.00 H new ATOM 1031 N GLY A 69 7.792 8.050 -3.296 1.00 0.00 N ATOM 1032 CA GLY A 69 6.721 9.085 -3.261 1.00 0.00 C ATOM 1033 C GLY A 69 5.970 9.090 -4.594 1.00 0.00 C ATOM 1034 O GLY A 69 5.240 10.011 -4.902 1.00 0.00 O ATOM 0 H GLY A 69 7.464 7.084 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.030 8.880 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.156 10.067 -3.073 1.00 0.00 H new ATOM 1038 N GLU A 70 6.142 8.068 -5.386 1.00 0.00 N ATOM 1039 CA GLU A 70 5.438 8.015 -6.698 1.00 0.00 C ATOM 1040 C GLU A 70 3.964 7.667 -6.472 1.00 0.00 C ATOM 1041 O GLU A 70 3.637 6.621 -5.948 1.00 0.00 O ATOM 1042 CB GLU A 70 6.084 6.946 -7.582 1.00 0.00 C ATOM 1043 CG GLU A 70 5.595 7.111 -9.022 1.00 0.00 C ATOM 1044 CD GLU A 70 5.483 5.736 -9.684 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.514 5.168 -10.003 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.367 5.274 -9.860 1.00 0.00 O ATOM 0 H GLU A 70 6.740 7.267 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 70 5.512 8.985 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.170 7.034 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.831 5.952 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.627 7.612 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.286 7.741 -9.582 1.00 0.00 H new ATOM 1053 N LEU A 71 3.073 8.536 -6.863 1.00 0.00 N ATOM 1054 CA LEU A 71 1.622 8.254 -6.670 1.00 0.00 C ATOM 1055 C LEU A 71 1.193 7.125 -7.608 1.00 0.00 C ATOM 1056 O LEU A 71 1.107 7.301 -8.808 1.00 0.00 O ATOM 1057 CB LEU A 71 0.812 9.513 -6.983 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.680 9.209 -6.841 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.983 8.802 -5.398 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.490 10.457 -7.198 1.00 0.00 C ATOM 0 H LEU A 71 3.286 9.429 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 71 1.444 7.955 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.096 10.318 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.029 9.856 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.950 8.394 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.046 8.585 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.406 7.914 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.713 9.617 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.554 10.242 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.219 11.271 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.275 10.749 -8.226 1.00 0.00 H new ATOM 1072 N LEU A 72 0.923 5.966 -7.073 1.00 0.00 N ATOM 1073 CA LEU A 72 0.499 4.828 -7.936 1.00 0.00 C ATOM 1074 C LEU A 72 -1.021 4.855 -8.107 1.00 0.00 C ATOM 1075 O LEU A 72 -1.572 4.188 -8.960 1.00 0.00 O ATOM 1076 CB LEU A 72 0.914 3.509 -7.279 1.00 0.00 C ATOM 1077 CG LEU A 72 2.346 3.627 -6.755 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.688 2.393 -5.918 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.313 3.724 -7.937 1.00 0.00 C ATOM 0 H LEU A 72 0.978 5.758 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 72 0.976 4.915 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.235 3.269 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.845 2.694 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 72 2.434 4.520 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.709 2.478 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.999 2.322 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.601 1.499 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.334 3.808 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.224 2.830 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.071 4.603 -8.534 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.704 5.623 -7.302 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.188 5.693 -7.420 1.00 0.00 C ATOM 1093 C GLY A 73 -3.777 6.261 -6.128 1.00 0.00 C ATOM 1094 O GLY A 73 -3.067 6.553 -5.186 1.00 0.00 O ATOM 0 H GLY A 73 -1.299 6.204 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.467 6.321 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.595 4.700 -7.612 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.072 6.419 -6.074 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.704 6.969 -4.842 1.00 0.00 C ATOM 1100 C LYS A 74 -6.978 6.183 -4.529 1.00 0.00 C ATOM 1101 O LYS A 74 -7.695 5.764 -5.417 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.054 8.442 -5.063 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.783 9.288 -4.973 1.00 0.00 C ATOM 1104 CD LYS A 74 -4.940 10.539 -5.841 1.00 0.00 C ATOM 1105 CE LYS A 74 -6.237 11.259 -5.469 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.934 12.670 -5.097 1.00 0.00 N ATOM 0 H LYS A 74 -5.718 6.191 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.009 6.882 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.522 8.573 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.776 8.771 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.595 9.572 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.923 8.707 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.088 11.204 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.954 10.263 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.932 11.234 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.723 10.749 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.816 13.159 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.285 12.683 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.489 13.154 -5.903 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.267 5.978 -3.274 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.496 5.219 -2.905 1.00 0.00 C ATOM 1122 C LEU A 75 -9.648 6.196 -2.670 1.00 0.00 C ATOM 1123 O LEU A 75 -9.471 7.257 -2.104 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.236 4.419 -1.626 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.318 3.350 -1.465 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.167 2.300 -2.567 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.168 2.676 -0.099 1.00 0.00 C ATOM 0 H LEU A 75 -6.705 6.303 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.758 4.537 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.252 3.952 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.235 5.084 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.301 3.815 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.938 1.538 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.271 2.778 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.184 1.835 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.939 1.914 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.184 2.211 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.274 3.422 0.688 1.00 0.00 H new ATOM 1139 N THR A 76 -10.830 5.849 -3.103 1.00 0.00 N ATOM 1140 CA THR A 76 -11.993 6.759 -2.905 1.00 0.00 C ATOM 1141 C THR A 76 -12.981 6.118 -1.927 1.00 0.00 C ATOM 1142 O THR A 76 -12.840 4.972 -1.549 1.00 0.00 O ATOM 1143 CB THR A 76 -12.687 6.999 -4.247 1.00 0.00 C ATOM 1144 OG1 THR A 76 -11.714 7.331 -5.228 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.688 8.146 -4.110 1.00 0.00 C ATOM 0 H THR A 76 -11.040 4.975 -3.585 1.00 0.00 H new ATOM 0 HA THR A 76 -11.646 7.710 -2.500 1.00 0.00 H new ATOM 0 HB THR A 76 -13.215 6.095 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.156 7.483 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.181 8.315 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.434 7.890 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.164 9.052 -3.807 1.00 0.00 H new