USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.85) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 54:sc= 1.07 USER MOD Single : A 37 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.6!) 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 180:sc= 0 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 0.415 -1.413 -1.425 1.00 63.11 N ATOM 2 CA ASP A 1 1.627 -0.877 -2.034 1.00 61.13 C ATOM 3 C ASP A 1 1.337 0.434 -2.758 1.00 61.14 C ATOM 4 O ASP A 1 0.745 0.440 -3.838 1.00 0.43 O ATOM 5 CB ASP A 1 2.225 -1.892 -3.010 1.00 53.12 C ATOM 6 CG ASP A 1 3.128 -2.896 -2.321 1.00 14.22 C ATOM 7 OD1 ASP A 1 4.118 -2.469 -1.690 1.00 54.11 O ATOM 8 OD2 ASP A 1 2.844 -4.108 -2.411 1.00 73.41 O ATOM 0 H1 ASP A 1 0.636 -2.305 -0.938 1.00 63.11 H new ATOM 0 H2 ASP A 1 0.039 -0.728 -0.739 1.00 63.11 H new ATOM 0 H3 ASP A 1 -0.296 -1.589 -2.163 1.00 63.11 H new ATOM 0 HA ASP A 1 2.347 -0.681 -1.240 1.00 61.13 H new ATOM 0 HB2 ASP A 1 1.419 -2.422 -3.518 1.00 53.12 H new ATOM 0 HB3 ASP A 1 2.792 -1.364 -3.777 1.00 53.12 H new ATOM 13 N ARG A 2 1.757 1.542 -2.157 1.00 23.24 N ATOM 14 CA ARG A 2 1.541 2.859 -2.743 1.00 74.10 C ATOM 15 C ARG A 2 2.519 3.113 -3.886 1.00 71.32 C ATOM 16 O ARG A 2 2.203 3.824 -4.840 1.00 23.32 O ATOM 17 CB ARG A 2 1.692 3.946 -1.677 1.00 55.25 C ATOM 18 CG ARG A 2 0.817 3.725 -0.454 1.00 4.32 C ATOM 19 CD ARG A 2 -0.625 4.128 -0.719 1.00 44.42 C ATOM 20 NE ARG A 2 -1.553 3.481 0.204 1.00 62.33 N ATOM 21 CZ ARG A 2 -1.712 3.854 1.469 1.00 40.04 C ATOM 22 NH1 ARG A 2 -1.009 4.866 1.958 1.00 22.11 N ATOM 23 NH2 ARG A 2 -2.576 3.215 2.246 1.00 14.04 N ATOM 0 H ARG A 2 2.249 1.554 -1.264 1.00 23.24 H new ATOM 0 HA ARG A 2 0.527 2.889 -3.142 1.00 74.10 H new ATOM 0 HB2 ARG A 2 2.735 3.993 -1.363 1.00 55.25 H new ATOM 0 HB3 ARG A 2 1.448 4.912 -2.118 1.00 55.25 H new ATOM 0 HG2 ARG A 2 0.855 2.675 -0.164 1.00 4.32 H new ATOM 0 HG3 ARG A 2 1.209 4.302 0.384 1.00 4.32 H new ATOM 0 HD2 ARG A 2 -0.721 5.210 -0.630 1.00 44.42 H new ATOM 0 HD3 ARG A 2 -0.892 3.867 -1.743 1.00 44.42 H new ATOM 0 HE ARG A 2 -2.110 2.699 -0.142 1.00 62.33 H new ATOM 0 HH11 ARG A 2 -0.344 5.360 1.363 1.00 22.11 H new ATOM 0 HH12 ARG A 2 -1.133 5.151 2.930 1.00 22.11 H new ATOM 0 HH21 ARG A 2 -3.119 2.437 1.872 1.00 14.04 H new ATOM 0 HH22 ARG A 2 -2.698 3.502 3.217 1.00 14.04 H new ATOM 37 N MET A 3 3.707 2.527 -3.782 1.00 63.22 N ATOM 38 CA MET A 3 4.731 2.689 -4.808 1.00 3.22 C ATOM 39 C MET A 3 4.207 2.255 -6.173 1.00 1.21 C ATOM 40 O MET A 3 4.685 2.719 -7.208 1.00 14.53 O ATOM 41 CB MET A 3 5.978 1.880 -4.446 1.00 62.24 C ATOM 42 CG MET A 3 6.759 2.456 -3.276 1.00 51.34 C ATOM 43 SD MET A 3 7.782 1.223 -2.449 1.00 41.53 S ATOM 44 CE MET A 3 9.385 2.022 -2.503 1.00 75.04 C ATOM 0 H MET A 3 3.985 1.936 -2.998 1.00 63.22 H new ATOM 0 HA MET A 3 4.994 3.745 -4.859 1.00 3.22 H new ATOM 0 HB2 MET A 3 5.681 0.859 -4.206 1.00 62.24 H new ATOM 0 HB3 MET A 3 6.631 1.826 -5.317 1.00 62.24 H new ATOM 0 HG2 MET A 3 7.393 3.268 -3.632 1.00 51.34 H new ATOM 0 HG3 MET A 3 6.063 2.887 -2.556 1.00 51.34 H new ATOM 0 HE1 MET A 3 10.127 1.381 -2.028 1.00 75.04 H new ATOM 0 HE2 MET A 3 9.669 2.199 -3.540 1.00 75.04 H new ATOM 0 HE3 MET A 3 9.335 2.973 -1.973 1.00 75.04 H new ATOM 54 N ALA A 4 3.223 1.362 -6.167 1.00 51.03 N ATOM 55 CA ALA A 4 2.633 0.867 -7.405 1.00 44.21 C ATOM 56 C ALA A 4 1.121 0.725 -7.274 1.00 72.13 C ATOM 57 O ALA A 4 0.501 -0.077 -7.972 1.00 33.11 O ATOM 58 CB ALA A 4 3.259 -0.465 -7.792 1.00 42.53 C ATOM 0 H ALA A 4 2.817 0.966 -5.319 1.00 51.03 H new ATOM 0 HA ALA A 4 2.836 1.594 -8.192 1.00 44.21 H new ATOM 0 HB1 ALA A 4 2.809 -0.823 -8.718 1.00 42.53 H new ATOM 0 HB2 ALA A 4 4.332 -0.335 -7.936 1.00 42.53 H new ATOM 0 HB3 ALA A 4 3.085 -1.193 -6.999 1.00 42.53 H new ATOM 64 N ALA A 5 0.533 1.508 -6.376 1.00 30.24 N ATOM 65 CA ALA A 5 -0.907 1.470 -6.155 1.00 33.44 C ATOM 66 C ALA A 5 -1.668 1.777 -7.440 1.00 32.12 C ATOM 67 O ALA A 5 -1.131 2.355 -8.385 1.00 22.41 O ATOM 68 CB ALA A 5 -1.299 2.450 -5.059 1.00 54.34 C ATOM 0 H ALA A 5 1.032 2.177 -5.789 1.00 30.24 H new ATOM 0 HA ALA A 5 -1.175 0.462 -5.838 1.00 33.44 H new ATOM 0 HB1 ALA A 5 -2.377 2.411 -4.905 1.00 54.34 H new ATOM 0 HB2 ALA A 5 -0.790 2.183 -4.133 1.00 54.34 H new ATOM 0 HB3 ALA A 5 -1.011 3.459 -5.353 1.00 54.34 H new ATOM 74 N PRO A 6 -2.949 1.382 -7.479 1.00 35.13 N ATOM 75 CA PRO A 6 -3.812 1.605 -8.643 1.00 65.42 C ATOM 76 C PRO A 6 -4.158 3.077 -8.835 1.00 45.31 C ATOM 77 O PRO A 6 -4.309 3.820 -7.865 1.00 54.43 O ATOM 78 CB PRO A 6 -5.070 0.798 -8.312 1.00 40.44 C ATOM 79 CG PRO A 6 -5.094 0.727 -6.825 1.00 0.25 C ATOM 80 CD PRO A 6 -3.655 0.688 -6.389 1.00 34.15 C ATOM 0 HA PRO A 6 -3.328 1.304 -9.572 1.00 65.42 H new ATOM 0 HB2 PRO A 6 -5.965 1.284 -8.700 1.00 40.44 H new ATOM 0 HB3 PRO A 6 -5.030 -0.197 -8.755 1.00 40.44 H new ATOM 0 HG2 PRO A 6 -5.607 1.590 -6.401 1.00 0.25 H new ATOM 0 HG3 PRO A 6 -5.629 -0.160 -6.485 1.00 0.25 H new ATOM 0 HD2 PRO A 6 -3.511 1.191 -5.433 1.00 34.15 H new ATOM 0 HD3 PRO A 6 -3.300 -0.335 -6.268 1.00 34.15 H new ATOM 88 N ARG A 7 -4.281 3.492 -10.091 1.00 51.55 N ATOM 89 CA ARG A 7 -4.609 4.877 -10.410 1.00 3.01 C ATOM 90 C ARG A 7 -4.861 5.046 -11.905 1.00 71.12 C ATOM 91 O ARG A 7 -4.076 4.585 -12.733 1.00 43.42 O ATOM 92 CB ARG A 7 -3.478 5.806 -9.964 1.00 50.34 C ATOM 93 CG ARG A 7 -2.092 5.293 -10.319 1.00 72.40 C ATOM 94 CD ARG A 7 -1.159 6.429 -10.706 1.00 1.31 C ATOM 95 NE ARG A 7 0.237 6.116 -10.412 1.00 32.40 N ATOM 96 CZ ARG A 7 1.238 6.967 -10.605 1.00 52.23 C ATOM 97 NH1 ARG A 7 0.998 8.178 -11.090 1.00 24.05 N ATOM 98 NH2 ARG A 7 2.482 6.608 -10.313 1.00 55.35 N ATOM 0 H ARG A 7 -4.159 2.889 -10.905 1.00 51.55 H new ATOM 0 HA ARG A 7 -5.521 5.141 -9.874 1.00 3.01 H new ATOM 0 HB2 ARG A 7 -3.622 6.785 -10.421 1.00 50.34 H new ATOM 0 HB3 ARG A 7 -3.539 5.946 -8.885 1.00 50.34 H new ATOM 0 HG2 ARG A 7 -1.675 4.752 -9.470 1.00 72.40 H new ATOM 0 HG3 ARG A 7 -2.166 4.584 -11.144 1.00 72.40 H new ATOM 0 HD2 ARG A 7 -1.267 6.640 -11.770 1.00 1.31 H new ATOM 0 HD3 ARG A 7 -1.448 7.334 -10.171 1.00 1.31 H new ATOM 0 HE ARG A 7 0.455 5.193 -10.038 1.00 32.40 H new ATOM 0 HH11 ARG A 7 0.043 8.457 -11.315 1.00 24.05 H new ATOM 0 HH12 ARG A 7 1.768 8.830 -11.237 1.00 24.05 H new ATOM 0 HH21 ARG A 7 2.670 5.677 -9.940 1.00 55.35 H new ATOM 0 HH22 ARG A 7 3.250 7.263 -10.462 1.00 55.35 H new ATOM 112 N ALA A 8 -5.962 5.709 -12.243 1.00 73.20 N ATOM 113 CA ALA A 8 -6.317 5.940 -13.638 1.00 34.33 C ATOM 114 C ALA A 8 -6.472 7.429 -13.926 1.00 5.34 C ATOM 115 O ALA A 8 -7.161 8.143 -13.198 1.00 75.42 O ATOM 116 CB ALA A 8 -7.599 5.198 -13.986 1.00 31.51 C ATOM 0 H ALA A 8 -6.624 6.096 -11.570 1.00 73.20 H new ATOM 0 HA ALA A 8 -5.508 5.558 -14.261 1.00 34.33 H new ATOM 0 HB1 ALA A 8 -7.852 5.379 -15.031 1.00 31.51 H new ATOM 0 HB2 ALA A 8 -7.455 4.129 -13.828 1.00 31.51 H new ATOM 0 HB3 ALA A 8 -8.409 5.553 -13.349 1.00 31.51 H new ATOM 122 N GLU A 9 -5.824 7.892 -14.990 1.00 61.35 N ATOM 123 CA GLU A 9 -5.889 9.298 -15.372 1.00 62.53 C ATOM 124 C GLU A 9 -7.173 9.594 -16.141 1.00 73.31 C ATOM 125 O GLU A 9 -7.433 9.001 -17.188 1.00 12.31 O ATOM 126 CB GLU A 9 -4.674 9.675 -16.223 1.00 20.34 C ATOM 127 CG GLU A 9 -4.724 11.095 -16.760 1.00 55.01 C ATOM 128 CD GLU A 9 -3.476 11.470 -17.535 1.00 54.22 C ATOM 129 OE1 GLU A 9 -2.438 10.802 -17.349 1.00 74.43 O ATOM 130 OE2 GLU A 9 -3.538 12.433 -18.328 1.00 75.04 O ATOM 0 H GLU A 9 -5.248 7.314 -15.603 1.00 61.35 H new ATOM 0 HA GLU A 9 -5.885 9.896 -14.461 1.00 62.53 H new ATOM 0 HB2 GLU A 9 -3.771 9.553 -15.625 1.00 20.34 H new ATOM 0 HB3 GLU A 9 -4.598 8.981 -17.060 1.00 20.34 H new ATOM 0 HG2 GLU A 9 -5.595 11.205 -17.406 1.00 55.01 H new ATOM 0 HG3 GLU A 9 -4.854 11.789 -15.930 1.00 55.01 H new ATOM 137 N ALA A 10 -7.973 10.514 -15.613 1.00 11.31 N ATOM 138 CA ALA A 10 -9.229 10.891 -16.249 1.00 74.32 C ATOM 139 C ALA A 10 -8.992 11.436 -17.653 1.00 42.13 C ATOM 140 O ALA A 10 -8.406 12.506 -17.824 1.00 14.41 O ATOM 141 CB ALA A 10 -9.965 11.917 -15.400 1.00 24.33 C ATOM 0 H ALA A 10 -7.773 11.012 -14.746 1.00 11.31 H new ATOM 0 HA ALA A 10 -9.846 9.997 -16.334 1.00 74.32 H new ATOM 0 HB1 ALA A 10 -10.901 12.189 -15.888 1.00 24.33 H new ATOM 0 HB2 ALA A 10 -10.177 11.492 -14.419 1.00 24.33 H new ATOM 0 HB3 ALA A 10 -9.345 12.806 -15.284 1.00 24.33 H new ATOM 147 N LEU A 11 -9.449 10.694 -18.656 1.00 45.21 N ATOM 148 CA LEU A 11 -9.285 11.103 -20.047 1.00 11.42 C ATOM 149 C LEU A 11 -10.231 12.249 -20.392 1.00 51.01 C ATOM 150 O LEU A 11 -9.984 13.012 -21.326 1.00 4.42 O ATOM 151 CB LEU A 11 -9.538 9.919 -20.981 1.00 32.33 C ATOM 152 CG LEU A 11 -8.560 8.750 -20.862 1.00 62.43 C ATOM 153 CD1 LEU A 11 -8.835 7.712 -21.940 1.00 3.22 C ATOM 154 CD2 LEU A 11 -7.124 9.245 -20.950 1.00 44.14 C ATOM 0 H LEU A 11 -9.936 9.806 -18.532 1.00 45.21 H new ATOM 0 HA LEU A 11 -8.260 11.449 -20.180 1.00 11.42 H new ATOM 0 HB2 LEU A 11 -10.545 9.545 -20.796 1.00 32.33 H new ATOM 0 HB3 LEU A 11 -9.517 10.282 -22.009 1.00 32.33 H new ATOM 0 HG LEU A 11 -8.702 8.280 -19.889 1.00 62.43 H new ATOM 0 HD11 LEU A 11 -8.129 6.887 -21.840 1.00 3.22 H new ATOM 0 HD12 LEU A 11 -9.852 7.335 -21.831 1.00 3.22 H new ATOM 0 HD13 LEU A 11 -8.721 8.169 -22.923 1.00 3.22 H new ATOM 0 HD21 LEU A 11 -6.442 8.399 -20.863 1.00 44.14 H new ATOM 0 HD22 LEU A 11 -6.968 9.740 -21.908 1.00 44.14 H new ATOM 0 HD23 LEU A 11 -6.932 9.950 -20.141 1.00 44.14 H new ATOM 166 N PHE A 12 -11.315 12.364 -19.631 1.00 43.55 N ATOM 167 CA PHE A 12 -12.298 13.418 -19.856 1.00 24.10 C ATOM 168 C PHE A 12 -12.863 13.925 -18.533 1.00 12.14 C ATOM 169 O PHE A 12 -12.425 13.512 -17.459 1.00 1.01 O ATOM 170 CB PHE A 12 -13.432 12.905 -20.745 1.00 72.02 C ATOM 171 CG PHE A 12 -12.957 12.316 -22.043 1.00 33.23 C ATOM 172 CD1 PHE A 12 -12.783 13.117 -23.160 1.00 21.42 C ATOM 173 CD2 PHE A 12 -12.686 10.961 -22.145 1.00 61.12 C ATOM 174 CE1 PHE A 12 -12.346 12.578 -24.355 1.00 63.32 C ATOM 175 CE2 PHE A 12 -12.248 10.416 -23.338 1.00 11.53 C ATOM 176 CZ PHE A 12 -12.079 11.226 -24.444 1.00 61.54 C ATOM 0 H PHE A 12 -11.535 11.741 -18.854 1.00 43.55 H new ATOM 0 HA PHE A 12 -11.798 14.246 -20.359 1.00 24.10 H new ATOM 0 HB2 PHE A 12 -13.998 12.151 -20.199 1.00 72.02 H new ATOM 0 HB3 PHE A 12 -14.117 13.726 -20.957 1.00 72.02 H new ATOM 0 HD1 PHE A 12 -12.991 14.175 -23.096 1.00 21.42 H new ATOM 0 HD2 PHE A 12 -12.818 10.324 -21.283 1.00 61.12 H new ATOM 0 HE1 PHE A 12 -12.213 13.213 -25.218 1.00 63.32 H new ATOM 0 HE2 PHE A 12 -12.038 9.359 -23.405 1.00 11.53 H new ATOM 0 HZ PHE A 12 -11.738 10.802 -25.377 1.00 61.54 H new ATOM 186 N ASP A 13 -13.838 14.823 -18.618 1.00 53.25 N ATOM 187 CA ASP A 13 -14.465 15.387 -17.429 1.00 10.43 C ATOM 188 C ASP A 13 -15.761 14.654 -17.097 1.00 61.34 C ATOM 189 O ASP A 13 -16.721 14.689 -17.867 1.00 41.14 O ATOM 190 CB ASP A 13 -14.745 16.877 -17.632 1.00 14.13 C ATOM 191 CG ASP A 13 -13.670 17.562 -18.452 1.00 53.13 C ATOM 192 OD1 ASP A 13 -13.766 17.535 -19.697 1.00 60.24 O ATOM 193 OD2 ASP A 13 -12.734 18.126 -17.849 1.00 44.14 O ATOM 0 H ASP A 13 -14.212 15.176 -19.499 1.00 53.25 H new ATOM 0 HA ASP A 13 -13.776 15.265 -16.593 1.00 10.43 H new ATOM 0 HB2 ASP A 13 -15.708 16.998 -18.127 1.00 14.13 H new ATOM 0 HB3 ASP A 13 -14.823 17.365 -16.660 1.00 14.13 H new ATOM 198 N PHE A 14 -15.781 13.988 -15.947 1.00 44.42 N ATOM 199 CA PHE A 14 -16.958 13.244 -15.515 1.00 2.23 C ATOM 200 C PHE A 14 -17.707 13.999 -14.421 1.00 12.51 C ATOM 201 O PHE A 14 -17.110 14.746 -13.645 1.00 13.44 O ATOM 202 CB PHE A 14 -16.553 11.858 -15.008 1.00 13.33 C ATOM 203 CG PHE A 14 -17.723 10.975 -14.680 1.00 70.13 C ATOM 204 CD1 PHE A 14 -18.755 10.805 -15.589 1.00 34.03 C ATOM 205 CD2 PHE A 14 -17.790 10.314 -13.464 1.00 60.14 C ATOM 206 CE1 PHE A 14 -19.833 9.993 -15.289 1.00 52.35 C ATOM 207 CE2 PHE A 14 -18.865 9.500 -13.160 1.00 12.42 C ATOM 208 CZ PHE A 14 -19.888 9.339 -14.074 1.00 44.21 C ATOM 0 H PHE A 14 -14.995 13.948 -15.298 1.00 44.42 H new ATOM 0 HA PHE A 14 -17.621 13.130 -16.373 1.00 2.23 H new ATOM 0 HB2 PHE A 14 -15.939 11.368 -15.764 1.00 13.33 H new ATOM 0 HB3 PHE A 14 -15.933 11.972 -14.119 1.00 13.33 H new ATOM 0 HD1 PHE A 14 -18.717 11.312 -16.542 1.00 34.03 H new ATOM 0 HD2 PHE A 14 -16.993 10.436 -12.745 1.00 60.14 H new ATOM 0 HE1 PHE A 14 -20.632 9.870 -16.005 1.00 52.35 H new ATOM 0 HE2 PHE A 14 -18.905 8.990 -12.209 1.00 12.42 H new ATOM 0 HZ PHE A 14 -20.729 8.703 -13.839 1.00 44.21 H new ATOM 218 N THR A 15 -19.020 13.800 -14.366 1.00 15.23 N ATOM 219 CA THR A 15 -19.853 14.463 -13.370 1.00 22.44 C ATOM 220 C THR A 15 -21.007 13.567 -12.935 1.00 14.45 C ATOM 221 O THR A 15 -22.085 13.596 -13.527 1.00 70.43 O ATOM 222 CB THR A 15 -20.421 15.790 -13.905 1.00 53.24 C ATOM 223 OG1 THR A 15 -19.352 16.654 -14.309 1.00 34.53 O ATOM 224 CG2 THR A 15 -21.268 16.483 -12.848 1.00 23.51 C ATOM 0 H THR A 15 -19.530 13.185 -15.000 1.00 15.23 H new ATOM 0 HA THR A 15 -19.214 14.671 -12.512 1.00 22.44 H new ATOM 0 HB THR A 15 -21.053 15.568 -14.765 1.00 53.24 H new ATOM 0 HG1 THR A 15 -19.722 17.495 -14.650 1.00 34.53 H new ATOM 0 HG21 THR A 15 -21.658 17.418 -13.250 1.00 23.51 H new ATOM 0 HG22 THR A 15 -22.098 15.836 -12.565 1.00 23.51 H new ATOM 0 HG23 THR A 15 -20.656 16.692 -11.971 1.00 23.51 H new ATOM 232 N GLY A 16 -20.775 12.773 -11.894 1.00 22.11 N ATOM 233 CA GLY A 16 -21.806 11.881 -11.397 1.00 23.41 C ATOM 234 C GLY A 16 -23.066 12.619 -10.992 1.00 51.13 C ATOM 235 O GLY A 16 -23.137 13.843 -11.096 1.00 24.10 O ATOM 0 H GLY A 16 -19.891 12.732 -11.386 1.00 22.11 H new ATOM 0 HA2 GLY A 16 -22.049 11.148 -12.166 1.00 23.41 H new ATOM 0 HA3 GLY A 16 -21.421 11.328 -10.540 1.00 23.41 H new ATOM 239 N ASN A 17 -24.065 11.873 -10.531 1.00 40.33 N ATOM 240 CA ASN A 17 -25.330 12.465 -10.112 1.00 12.12 C ATOM 241 C ASN A 17 -25.321 12.766 -8.616 1.00 44.02 C ATOM 242 O ASN A 17 -25.439 13.920 -8.204 1.00 31.21 O ATOM 243 CB ASN A 17 -26.492 11.527 -10.447 1.00 43.43 C ATOM 244 CG ASN A 17 -27.281 11.994 -11.655 1.00 13.20 C ATOM 245 OD1 ASN A 17 -26.837 11.850 -12.794 1.00 54.42 O ATOM 246 ND2 ASN A 17 -28.459 12.557 -11.410 1.00 41.12 N ATOM 0 H ASN A 17 -24.023 10.858 -10.438 1.00 40.33 H new ATOM 0 HA ASN A 17 -25.460 13.402 -10.653 1.00 12.12 H new ATOM 0 HB2 ASN A 17 -26.105 10.525 -10.634 1.00 43.43 H new ATOM 0 HB3 ASN A 17 -27.158 11.456 -9.587 1.00 43.43 H new ATOM 0 HD21 ASN A 17 -29.035 12.891 -12.183 1.00 41.12 H new ATOM 0 HD22 ASN A 17 -28.787 12.656 -10.449 1.00 41.12 H new ATOM 253 N SER A 18 -25.178 11.720 -7.808 1.00 52.05 N ATOM 254 CA SER A 18 -25.156 11.871 -6.358 1.00 52.43 C ATOM 255 C SER A 18 -23.810 11.437 -5.787 1.00 44.52 C ATOM 256 O SER A 18 -22.859 11.188 -6.528 1.00 63.53 O ATOM 257 CB SER A 18 -26.281 11.052 -5.722 1.00 3.43 C ATOM 258 OG SER A 18 -27.030 11.837 -4.810 1.00 41.10 O ATOM 0 H SER A 18 -25.076 10.759 -8.133 1.00 52.05 H new ATOM 0 HA SER A 18 -25.307 12.925 -6.125 1.00 52.43 H new ATOM 0 HB2 SER A 18 -26.939 10.666 -6.501 1.00 3.43 H new ATOM 0 HB3 SER A 18 -25.860 10.190 -5.204 1.00 3.43 H new ATOM 0 HG SER A 18 -27.744 11.292 -4.418 1.00 41.10 H new ATOM 264 N LYS A 19 -23.736 11.350 -4.463 1.00 52.04 N ATOM 265 CA LYS A 19 -22.508 10.945 -3.790 1.00 1.41 C ATOM 266 C LYS A 19 -22.019 9.598 -4.312 1.00 54.13 C ATOM 267 O LYS A 19 -20.822 9.398 -4.518 1.00 64.11 O ATOM 268 CB LYS A 19 -22.733 10.867 -2.278 1.00 40.02 C ATOM 269 CG LYS A 19 -23.408 12.098 -1.699 1.00 40.31 C ATOM 270 CD LYS A 19 -22.643 12.644 -0.505 1.00 20.10 C ATOM 271 CE LYS A 19 -22.891 11.811 0.744 1.00 40.44 C ATOM 272 NZ LYS A 19 -23.352 12.648 1.886 1.00 52.43 N ATOM 0 H LYS A 19 -24.513 11.555 -3.835 1.00 52.04 H new ATOM 0 HA LYS A 19 -21.745 11.694 -4.000 1.00 1.41 H new ATOM 0 HB2 LYS A 19 -23.341 9.991 -2.054 1.00 40.02 H new ATOM 0 HB3 LYS A 19 -21.772 10.723 -1.783 1.00 40.02 H new ATOM 0 HG2 LYS A 19 -23.483 12.868 -2.467 1.00 40.31 H new ATOM 0 HG3 LYS A 19 -24.425 11.848 -1.397 1.00 40.31 H new ATOM 0 HD2 LYS A 19 -21.576 12.656 -0.730 1.00 20.10 H new ATOM 0 HD3 LYS A 19 -22.942 13.676 -0.321 1.00 20.10 H new ATOM 0 HE2 LYS A 19 -23.638 11.047 0.529 1.00 40.44 H new ATOM 0 HE3 LYS A 19 -21.974 11.291 1.022 1.00 40.44 H new ATOM 0 HZ1 LYS A 19 -23.510 12.044 2.718 1.00 52.43 H new ATOM 0 HZ2 LYS A 19 -22.628 13.361 2.108 1.00 52.43 H new ATOM 0 HZ3 LYS A 19 -24.240 13.125 1.631 1.00 52.43 H new ATOM 286 N LEU A 20 -22.953 8.678 -4.526 1.00 73.12 N ATOM 287 CA LEU A 20 -22.618 7.349 -5.027 1.00 2.33 C ATOM 288 C LEU A 20 -21.847 7.441 -6.339 1.00 65.45 C ATOM 289 O LEU A 20 -21.084 6.539 -6.686 1.00 10.22 O ATOM 290 CB LEU A 20 -23.889 6.522 -5.225 1.00 62.42 C ATOM 291 CG LEU A 20 -24.465 5.865 -3.970 1.00 63.43 C ATOM 292 CD1 LEU A 20 -23.445 4.926 -3.343 1.00 54.14 C ATOM 293 CD2 LEU A 20 -24.905 6.922 -2.969 1.00 13.31 C ATOM 0 H LEU A 20 -23.948 8.828 -4.361 1.00 73.12 H new ATOM 0 HA LEU A 20 -21.984 6.858 -4.289 1.00 2.33 H new ATOM 0 HB2 LEU A 20 -24.654 7.167 -5.657 1.00 62.42 H new ATOM 0 HB3 LEU A 20 -23.680 5.741 -5.956 1.00 62.42 H new ATOM 0 HG LEU A 20 -25.338 5.280 -4.258 1.00 63.43 H new ATOM 0 HD11 LEU A 20 -23.872 4.468 -2.451 1.00 54.14 H new ATOM 0 HD12 LEU A 20 -23.178 4.148 -4.059 1.00 54.14 H new ATOM 0 HD13 LEU A 20 -22.552 5.489 -3.069 1.00 54.14 H new ATOM 0 HD21 LEU A 20 -25.312 6.436 -2.082 1.00 13.31 H new ATOM 0 HD22 LEU A 20 -24.049 7.534 -2.686 1.00 13.31 H new ATOM 0 HD23 LEU A 20 -25.670 7.554 -3.420 1.00 13.31 H new ATOM 305 N GLU A 21 -22.049 8.537 -7.064 1.00 74.52 N ATOM 306 CA GLU A 21 -21.371 8.745 -8.338 1.00 54.41 C ATOM 307 C GLU A 21 -20.247 9.767 -8.195 1.00 53.40 C ATOM 308 O GLU A 21 -20.463 10.881 -7.716 1.00 2.44 O ATOM 309 CB GLU A 21 -22.368 9.213 -9.401 1.00 31.30 C ATOM 310 CG GLU A 21 -23.515 8.242 -9.628 1.00 41.25 C ATOM 311 CD GLU A 21 -23.973 8.208 -11.074 1.00 5.43 C ATOM 312 OE1 GLU A 21 -23.642 9.152 -11.822 1.00 63.13 O ATOM 313 OE2 GLU A 21 -24.661 7.240 -11.456 1.00 72.42 O ATOM 0 H GLU A 21 -22.676 9.294 -6.791 1.00 74.52 H new ATOM 0 HA GLU A 21 -20.938 7.795 -8.650 1.00 54.41 H new ATOM 0 HB2 GLU A 21 -22.775 10.180 -9.105 1.00 31.30 H new ATOM 0 HB3 GLU A 21 -21.839 9.364 -10.342 1.00 31.30 H new ATOM 0 HG2 GLU A 21 -23.205 7.242 -9.325 1.00 41.25 H new ATOM 0 HG3 GLU A 21 -24.354 8.522 -8.991 1.00 41.25 H new ATOM 320 N LEU A 22 -19.047 9.380 -8.613 1.00 54.54 N ATOM 321 CA LEU A 22 -17.888 10.262 -8.532 1.00 63.21 C ATOM 322 C LEU A 22 -17.893 11.275 -9.672 1.00 11.30 C ATOM 323 O LEU A 22 -18.473 11.032 -10.729 1.00 71.02 O ATOM 324 CB LEU A 22 -16.596 9.443 -8.569 1.00 34.23 C ATOM 325 CG LEU A 22 -15.293 10.243 -8.554 1.00 74.14 C ATOM 326 CD1 LEU A 22 -15.180 11.056 -7.274 1.00 55.23 C ATOM 327 CD2 LEU A 22 -14.096 9.316 -8.707 1.00 34.33 C ATOM 0 H LEU A 22 -18.851 8.462 -9.011 1.00 54.54 H new ATOM 0 HA LEU A 22 -17.941 10.805 -7.588 1.00 63.21 H new ATOM 0 HB2 LEU A 22 -16.594 8.767 -7.714 1.00 34.23 H new ATOM 0 HB3 LEU A 22 -16.608 8.823 -9.466 1.00 34.23 H new ATOM 0 HG LEU A 22 -15.303 10.933 -9.398 1.00 74.14 H new ATOM 0 HD11 LEU A 22 -14.246 11.619 -7.281 1.00 55.23 H new ATOM 0 HD12 LEU A 22 -16.020 11.748 -7.207 1.00 55.23 H new ATOM 0 HD13 LEU A 22 -15.193 10.385 -6.415 1.00 55.23 H new ATOM 0 HD21 LEU A 22 -13.177 9.903 -8.694 1.00 34.33 H new ATOM 0 HD22 LEU A 22 -14.082 8.601 -7.884 1.00 34.33 H new ATOM 0 HD23 LEU A 22 -14.170 8.779 -9.653 1.00 34.33 H new ATOM 339 N ASN A 23 -17.241 12.412 -9.449 1.00 61.15 N ATOM 340 CA ASN A 23 -17.169 13.462 -10.459 1.00 11.11 C ATOM 341 C ASN A 23 -15.760 14.042 -10.542 1.00 32.53 C ATOM 342 O ASN A 23 -15.351 14.832 -9.691 1.00 31.54 O ATOM 343 CB ASN A 23 -18.172 14.573 -10.141 1.00 43.20 C ATOM 344 CG ASN A 23 -18.109 15.011 -8.690 1.00 74.53 C ATOM 345 OD1 ASN A 23 -17.305 15.867 -8.322 1.00 61.34 O ATOM 346 ND2 ASN A 23 -18.961 14.422 -7.858 1.00 51.51 N ATOM 0 H ASN A 23 -16.755 12.630 -8.579 1.00 61.15 H new ATOM 0 HA ASN A 23 -17.418 13.021 -11.424 1.00 11.11 H new ATOM 0 HB2 ASN A 23 -17.977 15.430 -10.785 1.00 43.20 H new ATOM 0 HB3 ASN A 23 -19.180 14.225 -10.369 1.00 43.20 H new ATOM 0 HD21 ASN A 23 -18.966 14.675 -6.870 1.00 51.51 H new ATOM 0 HD22 ASN A 23 -19.610 13.717 -8.207 1.00 51.51 H new ATOM 353 N PHE A 24 -15.022 13.644 -11.573 1.00 75.20 N ATOM 354 CA PHE A 24 -13.659 14.123 -11.768 1.00 20.04 C ATOM 355 C PHE A 24 -13.566 15.011 -13.005 1.00 61.11 C ATOM 356 O PHE A 24 -14.575 15.320 -13.639 1.00 41.22 O ATOM 357 CB PHE A 24 -12.695 12.942 -11.900 1.00 2.24 C ATOM 358 CG PHE A 24 -13.087 11.965 -12.971 1.00 2.02 C ATOM 359 CD1 PHE A 24 -12.943 12.291 -14.310 1.00 34.51 C ATOM 360 CD2 PHE A 24 -13.598 10.721 -12.639 1.00 32.14 C ATOM 361 CE1 PHE A 24 -13.304 11.393 -15.297 1.00 51.45 C ATOM 362 CE2 PHE A 24 -13.960 9.819 -13.622 1.00 13.51 C ATOM 363 CZ PHE A 24 -13.812 10.156 -14.953 1.00 60.01 C ATOM 0 H PHE A 24 -15.345 12.991 -12.286 1.00 75.20 H new ATOM 0 HA PHE A 24 -13.380 14.715 -10.896 1.00 20.04 H new ATOM 0 HB2 PHE A 24 -11.696 13.321 -12.113 1.00 2.24 H new ATOM 0 HB3 PHE A 24 -12.640 12.419 -10.945 1.00 2.24 H new ATOM 0 HD1 PHE A 24 -12.545 13.256 -14.585 1.00 34.51 H new ATOM 0 HD2 PHE A 24 -13.715 10.453 -11.599 1.00 32.14 H new ATOM 0 HE1 PHE A 24 -13.189 11.659 -16.337 1.00 51.45 H new ATOM 0 HE2 PHE A 24 -14.358 8.853 -13.350 1.00 13.51 H new ATOM 0 HZ PHE A 24 -14.093 9.453 -15.723 1.00 60.01 H new ATOM 373 N LYS A 25 -12.347 15.419 -13.343 1.00 33.41 N ATOM 374 CA LYS A 25 -12.119 16.270 -14.504 1.00 55.42 C ATOM 375 C LYS A 25 -11.013 15.702 -15.387 1.00 1.30 C ATOM 376 O LYS A 25 -10.232 14.856 -14.952 1.00 51.23 O ATOM 377 CB LYS A 25 -11.754 17.688 -14.059 1.00 3.14 C ATOM 378 CG LYS A 25 -12.812 18.344 -13.188 1.00 65.10 C ATOM 379 CD LYS A 25 -13.933 18.937 -14.025 1.00 3.35 C ATOM 380 CE LYS A 25 -14.767 19.923 -13.220 1.00 64.22 C ATOM 381 NZ LYS A 25 -14.792 21.272 -13.850 1.00 62.23 N ATOM 0 H LYS A 25 -11.501 15.173 -12.828 1.00 33.41 H new ATOM 0 HA LYS A 25 -13.041 16.304 -15.085 1.00 55.42 H new ATOM 0 HB2 LYS A 25 -10.812 17.657 -13.511 1.00 3.14 H new ATOM 0 HB3 LYS A 25 -11.588 18.305 -14.942 1.00 3.14 H new ATOM 0 HG2 LYS A 25 -13.223 17.608 -12.497 1.00 65.10 H new ATOM 0 HG3 LYS A 25 -12.353 19.127 -12.585 1.00 65.10 H new ATOM 0 HD2 LYS A 25 -13.512 19.440 -14.895 1.00 3.35 H new ATOM 0 HD3 LYS A 25 -14.573 18.137 -14.398 1.00 3.35 H new ATOM 0 HE2 LYS A 25 -15.786 19.546 -13.128 1.00 64.22 H new ATOM 0 HE3 LYS A 25 -14.363 20.001 -12.211 1.00 64.22 H new ATOM 0 HZ1 LYS A 25 -15.370 21.915 -13.272 1.00 62.23 H new ATOM 0 HZ2 LYS A 25 -13.822 21.643 -13.915 1.00 62.23 H new ATOM 0 HZ3 LYS A 25 -15.201 21.202 -14.804 1.00 62.23 H new ATOM 395 N ALA A 26 -10.951 16.174 -16.628 1.00 12.11 N ATOM 396 CA ALA A 26 -9.938 15.715 -17.570 1.00 40.50 C ATOM 397 C ALA A 26 -8.534 15.985 -17.041 1.00 4.44 C ATOM 398 O ALA A 26 -8.007 17.088 -17.183 1.00 14.32 O ATOM 399 CB ALA A 26 -10.132 16.386 -18.922 1.00 33.10 C ATOM 0 H ALA A 26 -11.590 16.874 -17.004 1.00 12.11 H new ATOM 0 HA ALA A 26 -10.052 14.638 -17.691 1.00 40.50 H new ATOM 0 HB1 ALA A 26 -9.369 16.034 -19.616 1.00 33.10 H new ATOM 0 HB2 ALA A 26 -11.119 16.139 -19.313 1.00 33.10 H new ATOM 0 HB3 ALA A 26 -10.047 17.467 -18.807 1.00 33.10 H new ATOM 405 N GLY A 27 -7.932 14.970 -16.428 1.00 44.31 N ATOM 406 CA GLY A 27 -6.594 15.119 -15.886 1.00 2.32 C ATOM 407 C GLY A 27 -6.585 15.176 -14.371 1.00 71.41 C ATOM 408 O GLY A 27 -5.682 15.757 -13.770 1.00 24.11 O ATOM 0 H GLY A 27 -8.347 14.047 -16.297 1.00 44.31 H new ATOM 0 HA2 GLY A 27 -5.976 14.285 -16.219 1.00 2.32 H new ATOM 0 HA3 GLY A 27 -6.144 16.029 -16.283 1.00 2.32 H new ATOM 412 N ASP A 28 -7.594 14.572 -13.753 1.00 20.05 N ATOM 413 CA ASP A 28 -7.700 14.556 -12.298 1.00 43.32 C ATOM 414 C ASP A 28 -6.901 13.399 -11.708 1.00 24.43 C ATOM 415 O ASP A 28 -6.196 13.561 -10.712 1.00 3.44 O ATOM 416 CB ASP A 28 -9.165 14.450 -11.873 1.00 71.01 C ATOM 417 CG ASP A 28 -9.619 15.644 -11.056 1.00 60.31 C ATOM 418 OD1 ASP A 28 -8.780 16.222 -10.335 1.00 44.54 O ATOM 419 OD2 ASP A 28 -10.814 15.999 -11.137 1.00 22.42 O ATOM 0 H ASP A 28 -8.350 14.087 -14.236 1.00 20.05 H new ATOM 0 HA ASP A 28 -7.287 15.490 -11.918 1.00 43.32 H new ATOM 0 HB2 ASP A 28 -9.792 14.361 -12.760 1.00 71.01 H new ATOM 0 HB3 ASP A 28 -9.306 13.540 -11.290 1.00 71.01 H new ATOM 424 N VAL A 29 -7.016 12.229 -12.328 1.00 75.13 N ATOM 425 CA VAL A 29 -6.305 11.044 -11.865 1.00 32.44 C ATOM 426 C VAL A 29 -6.807 10.603 -10.494 1.00 71.43 C ATOM 427 O VAL A 29 -6.646 11.317 -9.504 1.00 75.40 O ATOM 428 CB VAL A 29 -4.787 11.294 -11.787 1.00 55.40 C ATOM 429 CG1 VAL A 29 -4.042 9.991 -11.546 1.00 33.55 C ATOM 430 CG2 VAL A 29 -4.294 11.973 -13.056 1.00 74.32 C ATOM 0 H VAL A 29 -7.596 12.077 -13.153 1.00 75.13 H new ATOM 0 HA VAL A 29 -6.499 10.255 -12.592 1.00 32.44 H new ATOM 0 HB VAL A 29 -4.589 11.958 -10.946 1.00 55.40 H new ATOM 0 HG11 VAL A 29 -2.971 10.188 -11.494 1.00 33.55 H new ATOM 0 HG12 VAL A 29 -4.376 9.549 -10.607 1.00 33.55 H new ATOM 0 HG13 VAL A 29 -4.244 9.300 -12.364 1.00 33.55 H new ATOM 0 HG21 VAL A 29 -3.220 12.142 -12.984 1.00 74.32 H new ATOM 0 HG22 VAL A 29 -4.504 11.336 -13.915 1.00 74.32 H new ATOM 0 HG23 VAL A 29 -4.804 12.928 -13.179 1.00 74.32 H new ATOM 440 N ILE A 30 -7.415 9.422 -10.445 1.00 23.02 N ATOM 441 CA ILE A 30 -7.939 8.885 -9.195 1.00 63.11 C ATOM 442 C ILE A 30 -7.050 7.766 -8.662 1.00 73.13 C ATOM 443 O ILE A 30 -6.204 7.235 -9.382 1.00 21.25 O ATOM 444 CB ILE A 30 -9.372 8.348 -9.370 1.00 3.30 C ATOM 445 CG1 ILE A 30 -10.127 9.177 -10.411 1.00 3.51 C ATOM 446 CG2 ILE A 30 -10.108 8.361 -8.039 1.00 12.22 C ATOM 447 CD1 ILE A 30 -10.012 8.632 -11.817 1.00 32.30 C ATOM 0 H ILE A 30 -7.557 8.819 -11.256 1.00 23.02 H new ATOM 0 HA ILE A 30 -7.953 9.707 -8.479 1.00 63.11 H new ATOM 0 HB ILE A 30 -9.318 7.318 -9.723 1.00 3.30 H new ATOM 0 HG12 ILE A 30 -11.180 9.223 -10.133 1.00 3.51 H new ATOM 0 HG13 ILE A 30 -9.748 10.199 -10.394 1.00 3.51 H new ATOM 0 HG21 ILE A 30 -11.119 7.979 -8.179 1.00 12.22 H new ATOM 0 HG22 ILE A 30 -9.578 7.732 -7.324 1.00 12.22 H new ATOM 0 HG23 ILE A 30 -10.155 9.382 -7.659 1.00 12.22 H new ATOM 0 HD11 ILE A 30 -10.572 9.270 -12.501 1.00 32.30 H new ATOM 0 HD12 ILE A 30 -8.964 8.612 -12.115 1.00 32.30 H new ATOM 0 HD13 ILE A 30 -10.418 7.621 -11.850 1.00 32.30 H new ATOM 459 N PHE A 31 -7.250 7.411 -7.397 1.00 42.03 N ATOM 460 CA PHE A 31 -6.467 6.354 -6.767 1.00 74.13 C ATOM 461 C PHE A 31 -7.180 5.009 -6.880 1.00 43.23 C ATOM 462 O PHE A 31 -6.589 3.958 -6.630 1.00 61.33 O ATOM 463 CB PHE A 31 -6.213 6.687 -5.296 1.00 24.22 C ATOM 464 CG PHE A 31 -4.784 7.044 -5.001 1.00 23.43 C ATOM 465 CD1 PHE A 31 -4.086 7.907 -5.830 1.00 62.52 C ATOM 466 CD2 PHE A 31 -4.139 6.517 -3.894 1.00 23.55 C ATOM 467 CE1 PHE A 31 -2.771 8.236 -5.561 1.00 62.33 C ATOM 468 CE2 PHE A 31 -2.824 6.842 -3.619 1.00 43.52 C ATOM 469 CZ PHE A 31 -2.139 7.704 -4.454 1.00 13.12 C ATOM 0 H PHE A 31 -7.947 7.839 -6.788 1.00 42.03 H new ATOM 0 HA PHE A 31 -5.511 6.284 -7.287 1.00 74.13 H new ATOM 0 HB2 PHE A 31 -6.855 7.518 -5.004 1.00 24.22 H new ATOM 0 HB3 PHE A 31 -6.500 5.832 -4.683 1.00 24.22 H new ATOM 0 HD1 PHE A 31 -4.575 8.327 -6.696 1.00 62.52 H new ATOM 0 HD2 PHE A 31 -4.670 5.844 -3.238 1.00 23.55 H new ATOM 0 HE1 PHE A 31 -2.238 8.909 -6.216 1.00 62.33 H new ATOM 0 HE2 PHE A 31 -2.333 6.423 -2.753 1.00 43.52 H new ATOM 0 HZ PHE A 31 -1.112 7.961 -4.242 1.00 13.12 H new ATOM 479 N LEU A 32 -8.453 5.051 -7.258 1.00 24.21 N ATOM 480 CA LEU A 32 -9.247 3.836 -7.404 1.00 54.30 C ATOM 481 C LEU A 32 -9.426 3.137 -6.060 1.00 43.21 C ATOM 482 O LEU A 32 -8.459 2.666 -5.460 1.00 44.10 O ATOM 483 CB LEU A 32 -8.584 2.886 -8.402 1.00 62.11 C ATOM 484 CG LEU A 32 -7.912 3.542 -9.609 1.00 72.00 C ATOM 485 CD1 LEU A 32 -7.422 2.485 -10.587 1.00 4.43 C ATOM 486 CD2 LEU A 32 -8.872 4.503 -10.296 1.00 65.32 C ATOM 0 H LEU A 32 -8.957 5.912 -7.469 1.00 24.21 H new ATOM 0 HA LEU A 32 -10.231 4.118 -7.779 1.00 54.30 H new ATOM 0 HB2 LEU A 32 -7.836 2.297 -7.871 1.00 62.11 H new ATOM 0 HB3 LEU A 32 -9.339 2.189 -8.766 1.00 62.11 H new ATOM 0 HG LEU A 32 -7.050 4.109 -9.258 1.00 72.00 H new ATOM 0 HD11 LEU A 32 -6.947 2.970 -11.439 1.00 4.43 H new ATOM 0 HD12 LEU A 32 -6.701 1.836 -10.090 1.00 4.43 H new ATOM 0 HD13 LEU A 32 -8.267 1.890 -10.933 1.00 4.43 H new ATOM 0 HD21 LEU A 32 -8.377 4.961 -11.153 1.00 65.32 H new ATOM 0 HD22 LEU A 32 -9.753 3.957 -10.634 1.00 65.32 H new ATOM 0 HD23 LEU A 32 -9.174 5.280 -9.594 1.00 65.32 H new ATOM 498 N LEU A 33 -10.668 3.071 -5.594 1.00 2.54 N ATOM 499 CA LEU A 33 -10.974 2.427 -4.321 1.00 50.30 C ATOM 500 C LEU A 33 -11.324 0.957 -4.525 1.00 70.23 C ATOM 501 O LEU A 33 -10.989 0.108 -3.699 1.00 14.22 O ATOM 502 CB LEU A 33 -12.132 3.148 -3.628 1.00 71.51 C ATOM 503 CG LEU A 33 -11.756 4.363 -2.780 1.00 45.14 C ATOM 504 CD1 LEU A 33 -12.586 5.572 -3.182 1.00 50.12 C ATOM 505 CD2 LEU A 33 -11.936 4.058 -1.301 1.00 21.15 C ATOM 0 H LEU A 33 -11.479 3.455 -6.078 1.00 2.54 H new ATOM 0 HA LEU A 33 -10.088 2.486 -3.689 1.00 50.30 H new ATOM 0 HB2 LEU A 33 -12.842 3.468 -4.390 1.00 71.51 H new ATOM 0 HB3 LEU A 33 -12.650 2.432 -2.990 1.00 71.51 H new ATOM 0 HG LEU A 33 -10.706 4.594 -2.957 1.00 45.14 H new ATOM 0 HD11 LEU A 33 -12.304 6.427 -2.568 1.00 50.12 H new ATOM 0 HD12 LEU A 33 -12.406 5.804 -4.232 1.00 50.12 H new ATOM 0 HD13 LEU A 33 -13.644 5.352 -3.035 1.00 50.12 H new ATOM 0 HD21 LEU A 33 -11.664 4.934 -0.713 1.00 21.15 H new ATOM 0 HD22 LEU A 33 -12.977 3.800 -1.107 1.00 21.15 H new ATOM 0 HD23 LEU A 33 -11.297 3.221 -1.022 1.00 21.15 H new ATOM 517 N SER A 34 -11.998 0.662 -5.633 1.00 4.53 N ATOM 518 CA SER A 34 -12.394 -0.705 -5.945 1.00 74.52 C ATOM 519 C SER A 34 -13.100 -0.771 -7.296 1.00 75.21 C ATOM 520 O SER A 34 -13.371 0.256 -7.918 1.00 41.30 O ATOM 521 CB SER A 34 -13.311 -1.256 -4.851 1.00 3.13 C ATOM 522 OG SER A 34 -12.581 -2.035 -3.918 1.00 42.45 O ATOM 0 H SER A 34 -12.281 1.352 -6.329 1.00 4.53 H new ATOM 0 HA SER A 34 -11.492 -1.315 -5.995 1.00 74.52 H new ATOM 0 HB2 SER A 34 -13.803 -0.431 -4.335 1.00 3.13 H new ATOM 0 HB3 SER A 34 -14.096 -1.864 -5.302 1.00 3.13 H new ATOM 0 HG SER A 34 -11.832 -1.509 -3.568 1.00 42.45 H new ATOM 528 N ARG A 35 -13.396 -1.987 -7.744 1.00 32.15 N ATOM 529 CA ARG A 35 -14.070 -2.188 -9.021 1.00 24.42 C ATOM 530 C ARG A 35 -15.501 -2.673 -8.810 1.00 52.23 C ATOM 531 O ARG A 35 -15.756 -3.545 -7.979 1.00 3.42 O ATOM 532 CB ARG A 35 -13.299 -3.197 -9.875 1.00 1.04 C ATOM 533 CG ARG A 35 -14.049 -3.639 -11.121 1.00 22.04 C ATOM 534 CD ARG A 35 -14.525 -5.078 -11.003 1.00 31.42 C ATOM 535 NE ARG A 35 -13.745 -5.983 -11.843 1.00 74.40 N ATOM 536 CZ ARG A 35 -13.862 -7.306 -11.803 1.00 64.15 C ATOM 537 NH1 ARG A 35 -14.721 -7.875 -10.970 1.00 14.23 N ATOM 538 NH2 ARG A 35 -13.117 -8.063 -12.600 1.00 10.24 N ATOM 0 H ARG A 35 -13.180 -2.848 -7.241 1.00 32.15 H new ATOM 0 HA ARG A 35 -14.102 -1.231 -9.541 1.00 24.42 H new ATOM 0 HB2 ARG A 35 -12.347 -2.757 -10.171 1.00 1.04 H new ATOM 0 HB3 ARG A 35 -13.070 -4.074 -9.269 1.00 1.04 H new ATOM 0 HG2 ARG A 35 -14.905 -2.984 -11.284 1.00 22.04 H new ATOM 0 HG3 ARG A 35 -13.401 -3.539 -11.992 1.00 22.04 H new ATOM 0 HD2 ARG A 35 -14.456 -5.399 -9.963 1.00 31.42 H new ATOM 0 HD3 ARG A 35 -15.576 -5.137 -11.286 1.00 31.42 H new ATOM 0 HE ARG A 35 -13.074 -5.578 -12.496 1.00 74.40 H new ATOM 0 HH11 ARG A 35 -15.295 -7.297 -10.356 1.00 14.23 H new ATOM 0 HH12 ARG A 35 -14.808 -8.891 -10.942 1.00 14.23 H new ATOM 0 HH21 ARG A 35 -12.455 -7.629 -13.243 1.00 10.24 H new ATOM 0 HH22 ARG A 35 -13.207 -9.079 -12.569 1.00 10.24 H new ATOM 552 N ILE A 36 -16.431 -2.101 -9.568 1.00 70.42 N ATOM 553 CA ILE A 36 -17.836 -2.476 -9.465 1.00 10.53 C ATOM 554 C ILE A 36 -18.126 -3.747 -10.255 1.00 51.35 C ATOM 555 O ILE A 36 -18.717 -4.692 -9.735 1.00 55.25 O ATOM 556 CB ILE A 36 -18.757 -1.349 -9.969 1.00 71.13 C ATOM 557 CG1 ILE A 36 -18.272 0.007 -9.452 1.00 23.40 C ATOM 558 CG2 ILE A 36 -20.193 -1.604 -9.535 1.00 62.54 C ATOM 559 CD1 ILE A 36 -18.088 0.050 -7.951 1.00 50.11 C ATOM 0 H ILE A 36 -16.237 -1.377 -10.260 1.00 70.42 H new ATOM 0 HA ILE A 36 -18.038 -2.655 -8.409 1.00 10.53 H new ATOM 0 HB ILE A 36 -18.724 -1.334 -11.058 1.00 71.13 H new ATOM 0 HG12 ILE A 36 -17.325 0.253 -9.933 1.00 23.40 H new ATOM 0 HG13 ILE A 36 -18.987 0.775 -9.745 1.00 23.40 H new ATOM 0 HG21 ILE A 36 -20.831 -0.799 -9.899 1.00 62.54 H new ATOM 0 HG22 ILE A 36 -20.535 -2.553 -9.948 1.00 62.54 H new ATOM 0 HG23 ILE A 36 -20.243 -1.643 -8.447 1.00 62.54 H new ATOM 0 HD11 ILE A 36 -17.743 1.041 -7.655 1.00 50.11 H new ATOM 0 HD12 ILE A 36 -19.038 -0.165 -7.462 1.00 50.11 H new ATOM 0 HD13 ILE A 36 -17.350 -0.695 -7.653 1.00 50.11 H new ATOM 571 N ASN A 37 -17.704 -3.763 -11.516 1.00 2.54 N ATOM 572 CA ASN A 37 -17.917 -4.919 -12.379 1.00 11.43 C ATOM 573 C ASN A 37 -16.850 -4.990 -13.466 1.00 44.45 C ATOM 574 O ASN A 37 -15.979 -5.859 -13.442 1.00 25.45 O ATOM 575 CB ASN A 37 -19.307 -4.856 -13.016 1.00 22.24 C ATOM 576 CG ASN A 37 -19.784 -3.432 -13.224 1.00 0.11 C ATOM 577 OD1 ASN A 37 -19.472 -2.803 -14.235 1.00 53.32 O ATOM 578 ND2 ASN A 37 -20.544 -2.917 -12.265 1.00 11.52 N ATOM 0 H ASN A 37 -17.213 -2.988 -11.962 1.00 2.54 H new ATOM 0 HA ASN A 37 -17.846 -5.817 -11.766 1.00 11.43 H new ATOM 0 HB2 ASN A 37 -19.288 -5.373 -13.975 1.00 22.24 H new ATOM 0 HB3 ASN A 37 -20.018 -5.386 -12.382 1.00 22.24 H new ATOM 0 HD21 ASN A 37 -20.895 -1.963 -12.349 1.00 11.52 H new ATOM 0 HD22 ASN A 37 -20.777 -3.476 -11.444 1.00 11.52 H new ATOM 585 N LYS A 38 -16.923 -4.068 -14.421 1.00 32.21 N ATOM 586 CA LYS A 38 -15.963 -4.023 -15.517 1.00 72.45 C ATOM 587 C LYS A 38 -16.017 -2.678 -16.233 1.00 52.52 C ATOM 588 O LYS A 38 -14.985 -2.126 -16.617 1.00 75.33 O ATOM 589 CB LYS A 38 -16.241 -5.153 -16.512 1.00 25.33 C ATOM 590 CG LYS A 38 -17.643 -5.120 -17.095 1.00 3.03 C ATOM 591 CD LYS A 38 -17.982 -6.420 -17.805 1.00 13.40 C ATOM 592 CE LYS A 38 -17.782 -6.302 -19.308 1.00 64.31 C ATOM 593 NZ LYS A 38 -18.867 -6.983 -20.067 1.00 41.04 N ATOM 0 H LYS A 38 -17.638 -3.342 -14.457 1.00 32.21 H new ATOM 0 HA LYS A 38 -14.965 -4.152 -15.098 1.00 72.45 H new ATOM 0 HB2 LYS A 38 -15.517 -5.096 -17.325 1.00 25.33 H new ATOM 0 HB3 LYS A 38 -16.086 -6.110 -16.014 1.00 25.33 H new ATOM 0 HG2 LYS A 38 -18.365 -4.940 -16.299 1.00 3.03 H new ATOM 0 HG3 LYS A 38 -17.727 -4.289 -17.795 1.00 3.03 H new ATOM 0 HD2 LYS A 38 -17.356 -7.223 -17.415 1.00 13.40 H new ATOM 0 HD3 LYS A 38 -19.016 -6.692 -17.595 1.00 13.40 H new ATOM 0 HE2 LYS A 38 -17.748 -5.249 -19.588 1.00 64.31 H new ATOM 0 HE3 LYS A 38 -16.820 -6.736 -19.582 1.00 64.31 H new ATOM 0 HZ1 LYS A 38 -18.694 -6.880 -21.087 1.00 41.04 H new ATOM 0 HZ2 LYS A 38 -18.883 -7.993 -19.819 1.00 41.04 H new ATOM 0 HZ3 LYS A 38 -19.782 -6.553 -19.826 1.00 41.04 H new ATOM 607 N ASP A 39 -17.225 -2.154 -16.408 1.00 13.41 N ATOM 608 CA ASP A 39 -17.413 -0.871 -17.075 1.00 52.42 C ATOM 609 C ASP A 39 -17.488 0.265 -16.059 1.00 64.30 C ATOM 610 O ASP A 39 -17.288 1.430 -16.400 1.00 45.35 O ATOM 611 CB ASP A 39 -18.685 -0.895 -17.925 1.00 65.12 C ATOM 612 CG ASP A 39 -18.723 -2.076 -18.875 1.00 34.21 C ATOM 613 OD1 ASP A 39 -17.775 -2.226 -19.673 1.00 72.42 O ATOM 614 OD2 ASP A 39 -19.702 -2.850 -18.820 1.00 55.24 O ATOM 0 H ASP A 39 -18.089 -2.598 -16.097 1.00 13.41 H new ATOM 0 HA ASP A 39 -16.554 -0.698 -17.724 1.00 52.42 H new ATOM 0 HB2 ASP A 39 -19.556 -0.931 -17.270 1.00 65.12 H new ATOM 0 HB3 ASP A 39 -18.754 0.030 -18.497 1.00 65.12 H new ATOM 619 N TRP A 40 -17.777 -0.084 -14.811 1.00 14.12 N ATOM 620 CA TRP A 40 -17.879 0.907 -13.745 1.00 34.41 C ATOM 621 C TRP A 40 -16.910 0.589 -12.612 1.00 20.21 C ATOM 622 O TRP A 40 -16.753 -0.569 -12.222 1.00 34.12 O ATOM 623 CB TRP A 40 -19.310 0.962 -13.208 1.00 15.32 C ATOM 624 CG TRP A 40 -20.338 1.178 -14.277 1.00 53.11 C ATOM 625 CD1 TRP A 40 -20.178 1.878 -15.439 1.00 23.40 C ATOM 626 CD2 TRP A 40 -21.685 0.693 -14.281 1.00 72.35 C ATOM 627 NE1 TRP A 40 -21.344 1.856 -16.165 1.00 41.35 N ATOM 628 CE2 TRP A 40 -22.284 1.135 -15.478 1.00 5.24 C ATOM 629 CE3 TRP A 40 -22.443 -0.074 -13.393 1.00 34.12 C ATOM 630 CZ2 TRP A 40 -23.604 0.836 -15.804 1.00 44.21 C ATOM 631 CZ3 TRP A 40 -23.753 -0.370 -13.718 1.00 55.32 C ATOM 632 CH2 TRP A 40 -24.323 0.084 -14.916 1.00 23.24 C ATOM 0 H TRP A 40 -17.945 -1.045 -14.512 1.00 14.12 H new ATOM 0 HA TRP A 40 -17.616 1.880 -14.160 1.00 34.41 H new ATOM 0 HB2 TRP A 40 -19.530 0.031 -12.685 1.00 15.32 H new ATOM 0 HB3 TRP A 40 -19.385 1.765 -12.475 1.00 15.32 H new ATOM 0 HD1 TRP A 40 -19.269 2.376 -15.742 1.00 23.40 H new ATOM 0 HE1 TRP A 40 -21.487 2.304 -17.070 1.00 41.35 H new ATOM 0 HE3 TRP A 40 -22.013 -0.429 -12.468 1.00 34.12 H new ATOM 0 HZ2 TRP A 40 -24.045 1.186 -16.726 1.00 44.21 H new ATOM 0 HZ3 TRP A 40 -24.348 -0.961 -13.038 1.00 55.32 H new ATOM 0 HH2 TRP A 40 -25.349 -0.165 -15.142 1.00 23.24 H new ATOM 643 N LEU A 41 -16.261 1.622 -12.087 1.00 14.33 N ATOM 644 CA LEU A 41 -15.307 1.453 -10.997 1.00 24.31 C ATOM 645 C LEU A 41 -15.531 2.498 -9.909 1.00 22.11 C ATOM 646 O LEU A 41 -16.435 3.327 -10.009 1.00 22.34 O ATOM 647 CB LEU A 41 -13.875 1.551 -11.527 1.00 30.30 C ATOM 648 CG LEU A 41 -13.654 1.058 -12.958 1.00 1.53 C ATOM 649 CD1 LEU A 41 -12.222 1.322 -13.397 1.00 60.53 C ATOM 650 CD2 LEU A 41 -13.984 -0.423 -13.069 1.00 53.21 C ATOM 0 H LEU A 41 -16.378 2.586 -12.399 1.00 14.33 H new ATOM 0 HA LEU A 41 -15.461 0.465 -10.563 1.00 24.31 H new ATOM 0 HB2 LEU A 41 -13.558 2.592 -11.470 1.00 30.30 H new ATOM 0 HB3 LEU A 41 -13.223 0.983 -10.863 1.00 30.30 H new ATOM 0 HG LEU A 41 -14.323 1.609 -13.620 1.00 1.53 H new ATOM 0 HD11 LEU A 41 -12.083 0.965 -14.417 1.00 60.53 H new ATOM 0 HD12 LEU A 41 -12.020 2.392 -13.356 1.00 60.53 H new ATOM 0 HD13 LEU A 41 -11.535 0.798 -12.732 1.00 60.53 H new ATOM 0 HD21 LEU A 41 -13.821 -0.756 -14.094 1.00 53.21 H new ATOM 0 HD22 LEU A 41 -13.341 -0.990 -12.396 1.00 53.21 H new ATOM 0 HD23 LEU A 41 -15.027 -0.585 -12.796 1.00 53.21 H new ATOM 662 N GLU A 42 -14.700 2.453 -8.872 1.00 31.01 N ATOM 663 CA GLU A 42 -14.808 3.398 -7.766 1.00 63.43 C ATOM 664 C GLU A 42 -13.457 4.040 -7.466 1.00 44.44 C ATOM 665 O GLU A 42 -12.408 3.426 -7.659 1.00 52.32 O ATOM 666 CB GLU A 42 -15.339 2.694 -6.515 1.00 51.45 C ATOM 667 CG GLU A 42 -15.554 3.629 -5.337 1.00 33.01 C ATOM 668 CD GLU A 42 -16.926 3.472 -4.711 1.00 34.12 C ATOM 669 OE1 GLU A 42 -17.213 2.380 -4.177 1.00 24.30 O ATOM 670 OE2 GLU A 42 -17.714 4.440 -4.755 1.00 4.13 O ATOM 0 H GLU A 42 -13.946 1.773 -8.775 1.00 31.01 H new ATOM 0 HA GLU A 42 -15.507 4.182 -8.058 1.00 63.43 H new ATOM 0 HB2 GLU A 42 -16.282 2.204 -6.757 1.00 51.45 H new ATOM 0 HB3 GLU A 42 -14.639 1.911 -6.224 1.00 51.45 H new ATOM 0 HG2 GLU A 42 -14.791 3.439 -4.583 1.00 33.01 H new ATOM 0 HG3 GLU A 42 -15.425 4.660 -5.668 1.00 33.01 H new ATOM 677 N GLY A 43 -13.491 5.283 -6.994 1.00 23.24 N ATOM 678 CA GLY A 43 -12.264 5.989 -6.675 1.00 43.23 C ATOM 679 C GLY A 43 -12.521 7.336 -6.030 1.00 10.41 C ATOM 680 O GLY A 43 -13.618 7.885 -6.136 1.00 53.51 O ATOM 0 H GLY A 43 -14.346 5.813 -6.827 1.00 23.24 H new ATOM 0 HA2 GLY A 43 -11.661 5.378 -6.004 1.00 43.23 H new ATOM 0 HA3 GLY A 43 -11.683 6.131 -7.586 1.00 43.23 H new ATOM 684 N THR A 44 -11.507 7.872 -5.356 1.00 74.34 N ATOM 685 CA THR A 44 -11.630 9.161 -4.689 1.00 3.33 C ATOM 686 C THR A 44 -10.673 10.185 -5.290 1.00 22.54 C ATOM 687 O THR A 44 -9.456 9.995 -5.275 1.00 54.31 O ATOM 688 CB THR A 44 -11.352 9.041 -3.178 1.00 61.44 C ATOM 689 OG1 THR A 44 -11.371 10.337 -2.572 1.00 3.45 O ATOM 690 CG2 THR A 44 -10.006 8.377 -2.927 1.00 73.00 C ATOM 0 H THR A 44 -10.592 7.432 -5.258 1.00 74.34 H new ATOM 0 HA THR A 44 -12.657 9.496 -4.837 1.00 3.33 H new ATOM 0 HB THR A 44 -12.133 8.423 -2.735 1.00 61.44 H new ATOM 0 HG1 THR A 44 -11.195 10.252 -1.612 1.00 3.45 H new ATOM 0 HG21 THR A 44 -9.831 8.303 -1.854 1.00 73.00 H new ATOM 0 HG22 THR A 44 -10.006 7.379 -3.364 1.00 73.00 H new ATOM 0 HG23 THR A 44 -9.216 8.973 -3.383 1.00 73.00 H new ATOM 698 N VAL A 45 -11.229 11.270 -5.817 1.00 55.14 N ATOM 699 CA VAL A 45 -10.425 12.325 -6.422 1.00 62.10 C ATOM 700 C VAL A 45 -11.003 13.702 -6.114 1.00 63.35 C ATOM 701 O VAL A 45 -12.220 13.879 -6.067 1.00 71.34 O ATOM 702 CB VAL A 45 -10.327 12.151 -7.949 1.00 72.23 C ATOM 703 CG1 VAL A 45 -11.715 12.074 -8.568 1.00 24.31 C ATOM 704 CG2 VAL A 45 -9.523 13.286 -8.564 1.00 65.12 C ATOM 0 H VAL A 45 -12.234 11.442 -5.837 1.00 55.14 H new ATOM 0 HA VAL A 45 -9.427 12.249 -5.991 1.00 62.10 H new ATOM 0 HB VAL A 45 -9.809 11.215 -8.158 1.00 72.23 H new ATOM 0 HG11 VAL A 45 -11.626 11.951 -9.647 1.00 24.31 H new ATOM 0 HG12 VAL A 45 -12.253 11.224 -8.149 1.00 24.31 H new ATOM 0 HG13 VAL A 45 -12.261 12.992 -8.351 1.00 24.31 H new ATOM 0 HG21 VAL A 45 -9.464 13.147 -9.643 1.00 65.12 H new ATOM 0 HG22 VAL A 45 -10.010 14.236 -8.347 1.00 65.12 H new ATOM 0 HG23 VAL A 45 -8.518 13.289 -8.143 1.00 65.12 H new ATOM 714 N ARG A 46 -10.121 14.674 -5.906 1.00 53.32 N ATOM 715 CA ARG A 46 -10.544 16.036 -5.602 1.00 41.24 C ATOM 716 C ARG A 46 -11.414 16.069 -4.349 1.00 72.44 C ATOM 717 O ARG A 46 -12.365 16.844 -4.262 1.00 35.31 O ATOM 718 CB ARG A 46 -11.311 16.631 -6.785 1.00 32.42 C ATOM 719 CG ARG A 46 -10.439 16.911 -7.998 1.00 10.24 C ATOM 720 CD ARG A 46 -11.026 18.015 -8.863 1.00 15.33 C ATOM 721 NE ARG A 46 -10.710 19.344 -8.345 1.00 31.45 N ATOM 722 CZ ARG A 46 -11.388 20.439 -8.667 1.00 54.13 C ATOM 723 NH1 ARG A 46 -12.416 20.365 -9.502 1.00 63.11 N ATOM 724 NH2 ARG A 46 -11.040 21.612 -8.154 1.00 44.13 N ATOM 0 H ARG A 46 -9.110 14.544 -5.942 1.00 53.32 H new ATOM 0 HA ARG A 46 -9.651 16.634 -5.419 1.00 41.24 H new ATOM 0 HB2 ARG A 46 -12.108 15.945 -7.072 1.00 32.42 H new ATOM 0 HB3 ARG A 46 -11.787 17.559 -6.469 1.00 32.42 H new ATOM 0 HG2 ARG A 46 -9.439 17.196 -7.671 1.00 10.24 H new ATOM 0 HG3 ARG A 46 -10.333 16.001 -8.589 1.00 10.24 H new ATOM 0 HD2 ARG A 46 -10.643 17.922 -9.879 1.00 15.33 H new ATOM 0 HD3 ARG A 46 -12.108 17.895 -8.918 1.00 15.33 H new ATOM 0 HE ARG A 46 -9.925 19.436 -7.700 1.00 31.45 H new ATOM 0 HH11 ARG A 46 -12.687 19.465 -9.898 1.00 63.11 H new ATOM 0 HH12 ARG A 46 -12.935 21.208 -9.748 1.00 63.11 H new ATOM 0 HH21 ARG A 46 -10.250 21.673 -7.511 1.00 44.13 H new ATOM 0 HH22 ARG A 46 -11.562 22.452 -8.402 1.00 44.13 H new ATOM 738 N GLY A 47 -11.081 15.220 -3.381 1.00 51.04 N ATOM 739 CA GLY A 47 -11.842 15.167 -2.147 1.00 12.21 C ATOM 740 C GLY A 47 -13.253 14.654 -2.357 1.00 51.32 C ATOM 741 O GLY A 47 -14.123 14.844 -1.508 1.00 2.54 O ATOM 0 H GLY A 47 -10.298 14.568 -3.430 1.00 51.04 H new ATOM 0 HA2 GLY A 47 -11.327 14.523 -1.434 1.00 12.21 H new ATOM 0 HA3 GLY A 47 -11.883 16.163 -1.706 1.00 12.21 H new ATOM 745 N ALA A 48 -13.481 14.003 -3.493 1.00 52.32 N ATOM 746 CA ALA A 48 -14.796 13.461 -3.812 1.00 52.42 C ATOM 747 C ALA A 48 -14.722 11.962 -4.080 1.00 42.12 C ATOM 748 O ALA A 48 -13.809 11.486 -4.756 1.00 73.42 O ATOM 749 CB ALA A 48 -15.388 14.185 -5.012 1.00 53.34 C ATOM 0 H ALA A 48 -12.772 13.838 -4.208 1.00 52.32 H new ATOM 0 HA ALA A 48 -15.445 13.618 -2.950 1.00 52.42 H new ATOM 0 HB1 ALA A 48 -16.370 13.770 -5.239 1.00 53.34 H new ATOM 0 HB2 ALA A 48 -15.486 15.246 -4.784 1.00 53.34 H new ATOM 0 HB3 ALA A 48 -14.732 14.058 -5.873 1.00 53.34 H new ATOM 755 N THR A 49 -15.688 11.221 -3.545 1.00 44.34 N ATOM 756 CA THR A 49 -15.730 9.776 -3.725 1.00 74.42 C ATOM 757 C THR A 49 -16.959 9.357 -4.525 1.00 43.21 C ATOM 758 O THR A 49 -17.894 10.137 -4.698 1.00 14.13 O ATOM 759 CB THR A 49 -15.739 9.041 -2.371 1.00 42.13 C ATOM 760 OG1 THR A 49 -15.456 9.963 -1.312 1.00 62.53 O ATOM 761 CG2 THR A 49 -14.714 7.917 -2.359 1.00 72.33 C ATOM 0 H THR A 49 -16.451 11.599 -2.984 1.00 44.34 H new ATOM 0 HA THR A 49 -14.830 9.500 -4.274 1.00 74.42 H new ATOM 0 HB THR A 49 -16.729 8.610 -2.222 1.00 42.13 H new ATOM 0 HG1 THR A 49 -15.465 9.489 -0.454 1.00 62.53 H new ATOM 0 HG21 THR A 49 -14.739 7.412 -1.393 1.00 72.33 H new ATOM 0 HG22 THR A 49 -14.949 7.202 -3.148 1.00 72.33 H new ATOM 0 HG23 THR A 49 -13.719 8.330 -2.528 1.00 72.33 H new ATOM 769 N GLY A 50 -16.949 8.120 -5.011 1.00 75.34 N ATOM 770 CA GLY A 50 -18.069 7.619 -5.787 1.00 52.11 C ATOM 771 C GLY A 50 -17.634 6.674 -6.890 1.00 13.32 C ATOM 772 O GLY A 50 -16.474 6.266 -6.945 1.00 3.43 O ATOM 0 H GLY A 50 -16.186 7.456 -4.882 1.00 75.34 H new ATOM 0 HA2 GLY A 50 -18.764 7.104 -5.124 1.00 52.11 H new ATOM 0 HA3 GLY A 50 -18.609 8.459 -6.224 1.00 52.11 H new ATOM 776 N ILE A 51 -18.567 6.324 -7.769 1.00 11.22 N ATOM 777 CA ILE A 51 -18.274 5.421 -8.875 1.00 24.15 C ATOM 778 C ILE A 51 -18.179 6.180 -10.194 1.00 32.41 C ATOM 779 O ILE A 51 -18.740 7.266 -10.339 1.00 44.22 O ATOM 780 CB ILE A 51 -19.345 4.322 -9.003 1.00 25.41 C ATOM 781 CG1 ILE A 51 -20.716 4.944 -9.270 1.00 14.43 C ATOM 782 CG2 ILE A 51 -19.380 3.467 -7.744 1.00 52.45 C ATOM 783 CD1 ILE A 51 -21.486 4.260 -10.378 1.00 22.45 C ATOM 0 H ILE A 51 -19.532 6.652 -7.737 1.00 11.22 H new ATOM 0 HA ILE A 51 -17.313 4.956 -8.657 1.00 24.15 H new ATOM 0 HB ILE A 51 -19.088 3.681 -9.846 1.00 25.41 H new ATOM 0 HG12 ILE A 51 -21.306 4.909 -8.354 1.00 14.43 H new ATOM 0 HG13 ILE A 51 -20.585 5.996 -9.525 1.00 14.43 H new ATOM 0 HG21 ILE A 51 -20.142 2.695 -7.850 1.00 52.45 H new ATOM 0 HG22 ILE A 51 -18.407 2.999 -7.595 1.00 52.45 H new ATOM 0 HG23 ILE A 51 -19.616 4.094 -6.885 1.00 52.45 H new ATOM 0 HD11 ILE A 51 -22.448 4.755 -10.511 1.00 22.45 H new ATOM 0 HD12 ILE A 51 -20.917 4.317 -11.306 1.00 22.45 H new ATOM 0 HD13 ILE A 51 -21.649 3.214 -10.116 1.00 22.45 H new ATOM 795 N PHE A 52 -17.468 5.599 -11.154 1.00 62.25 N ATOM 796 CA PHE A 52 -17.300 6.219 -12.463 1.00 54.44 C ATOM 797 C PHE A 52 -17.001 5.169 -13.529 1.00 53.11 C ATOM 798 O PHE A 52 -16.460 4.100 -13.248 1.00 62.31 O ATOM 799 CB PHE A 52 -16.174 7.254 -12.421 1.00 22.15 C ATOM 800 CG PHE A 52 -14.845 6.677 -12.022 1.00 14.41 C ATOM 801 CD1 PHE A 52 -14.038 6.052 -12.958 1.00 5.41 C ATOM 802 CD2 PHE A 52 -14.405 6.760 -10.711 1.00 1.13 C ATOM 803 CE1 PHE A 52 -12.814 5.521 -12.595 1.00 13.15 C ATOM 804 CE2 PHE A 52 -13.183 6.231 -10.342 1.00 4.14 C ATOM 805 CZ PHE A 52 -12.387 5.610 -11.284 1.00 61.22 C ATOM 0 H PHE A 52 -16.999 4.699 -11.050 1.00 62.25 H new ATOM 0 HA PHE A 52 -18.234 6.718 -12.722 1.00 54.44 H new ATOM 0 HB2 PHE A 52 -16.080 7.717 -13.403 1.00 22.15 H new ATOM 0 HB3 PHE A 52 -16.443 8.044 -11.720 1.00 22.15 H new ATOM 0 HD1 PHE A 52 -14.369 5.978 -13.984 1.00 5.41 H new ATOM 0 HD2 PHE A 52 -15.024 7.243 -9.969 1.00 1.13 H new ATOM 0 HE1 PHE A 52 -12.193 5.038 -13.335 1.00 13.15 H new ATOM 0 HE2 PHE A 52 -12.851 6.303 -9.317 1.00 4.14 H new ATOM 0 HZ PHE A 52 -11.432 5.195 -10.997 1.00 61.22 H new ATOM 815 N PRO A 53 -17.363 5.480 -14.783 1.00 23.41 N ATOM 816 CA PRO A 53 -17.143 4.576 -15.917 1.00 14.44 C ATOM 817 C PRO A 53 -15.667 4.440 -16.272 1.00 22.44 C ATOM 818 O PRO A 53 -14.965 5.437 -16.446 1.00 24.41 O ATOM 819 CB PRO A 53 -17.908 5.249 -17.059 1.00 40.42 C ATOM 820 CG PRO A 53 -17.945 6.693 -16.692 1.00 63.31 C ATOM 821 CD PRO A 53 -18.013 6.736 -15.191 1.00 4.54 C ATOM 0 HA PRO A 53 -17.477 3.561 -15.701 1.00 14.44 H new ATOM 0 HB2 PRO A 53 -17.407 5.096 -18.015 1.00 40.42 H new ATOM 0 HB3 PRO A 53 -18.913 4.840 -17.157 1.00 40.42 H new ATOM 0 HG2 PRO A 53 -17.059 7.212 -17.058 1.00 63.31 H new ATOM 0 HG3 PRO A 53 -18.809 7.187 -17.136 1.00 63.31 H new ATOM 0 HD2 PRO A 53 -17.493 7.606 -14.790 1.00 4.54 H new ATOM 0 HD3 PRO A 53 -19.043 6.789 -14.837 1.00 4.54 H new ATOM 829 N LEU A 54 -15.201 3.200 -16.378 1.00 11.11 N ATOM 830 CA LEU A 54 -13.807 2.933 -16.713 1.00 63.31 C ATOM 831 C LEU A 54 -13.486 3.406 -18.127 1.00 52.31 C ATOM 832 O LEU A 54 -12.321 3.560 -18.492 1.00 4.23 O ATOM 833 CB LEU A 54 -13.508 1.438 -16.584 1.00 11.14 C ATOM 834 CG LEU A 54 -12.098 0.999 -16.979 1.00 70.44 C ATOM 835 CD1 LEU A 54 -11.661 -0.201 -16.153 1.00 74.44 C ATOM 836 CD2 LEU A 54 -12.037 0.676 -18.465 1.00 53.13 C ATOM 0 H LEU A 54 -15.768 2.364 -16.237 1.00 11.11 H new ATOM 0 HA LEU A 54 -13.179 3.485 -16.013 1.00 63.31 H new ATOM 0 HB2 LEU A 54 -13.683 1.141 -15.550 1.00 11.14 H new ATOM 0 HB3 LEU A 54 -14.223 0.891 -17.198 1.00 11.14 H new ATOM 0 HG LEU A 54 -11.412 1.822 -16.777 1.00 70.44 H new ATOM 0 HD11 LEU A 54 -10.655 -0.499 -16.448 1.00 74.44 H new ATOM 0 HD12 LEU A 54 -11.665 0.064 -15.096 1.00 74.44 H new ATOM 0 HD13 LEU A 54 -12.349 -1.029 -16.322 1.00 74.44 H new ATOM 0 HD21 LEU A 54 -11.026 0.365 -18.729 1.00 53.13 H new ATOM 0 HD22 LEU A 54 -12.735 -0.130 -18.691 1.00 53.13 H new ATOM 0 HD23 LEU A 54 -12.306 1.561 -19.041 1.00 53.13 H new ATOM 848 N SER A 55 -14.529 3.638 -18.919 1.00 24.23 N ATOM 849 CA SER A 55 -14.358 4.093 -20.294 1.00 31.33 C ATOM 850 C SER A 55 -14.048 5.586 -20.337 1.00 62.23 C ATOM 851 O SER A 55 -13.806 6.151 -21.404 1.00 73.54 O ATOM 852 CB SER A 55 -15.618 3.798 -21.111 1.00 23.05 C ATOM 853 OG SER A 55 -15.291 3.467 -22.449 1.00 75.22 O ATOM 0 H SER A 55 -15.500 3.518 -18.632 1.00 24.23 H new ATOM 0 HA SER A 55 -13.517 3.552 -20.728 1.00 31.33 H new ATOM 0 HB2 SER A 55 -16.168 2.976 -20.653 1.00 23.05 H new ATOM 0 HB3 SER A 55 -16.276 4.667 -21.098 1.00 23.05 H new ATOM 0 HG SER A 55 -16.112 3.281 -22.950 1.00 75.22 H new ATOM 859 N PHE A 56 -14.056 6.220 -19.169 1.00 72.24 N ATOM 860 CA PHE A 56 -13.777 7.648 -19.073 1.00 22.23 C ATOM 861 C PHE A 56 -12.498 7.899 -18.278 1.00 55.34 C ATOM 862 O PHE A 56 -12.272 9.001 -17.777 1.00 32.41 O ATOM 863 CB PHE A 56 -14.951 8.375 -18.415 1.00 11.44 C ATOM 864 CG PHE A 56 -16.171 8.457 -19.288 1.00 4.45 C ATOM 865 CD1 PHE A 56 -16.864 7.311 -19.641 1.00 14.32 C ATOM 866 CD2 PHE A 56 -16.623 9.681 -19.755 1.00 62.23 C ATOM 867 CE1 PHE A 56 -17.987 7.383 -20.444 1.00 12.34 C ATOM 868 CE2 PHE A 56 -17.745 9.759 -20.558 1.00 71.00 C ATOM 869 CZ PHE A 56 -18.427 8.609 -20.904 1.00 35.24 C ATOM 0 H PHE A 56 -14.253 5.768 -18.276 1.00 72.24 H new ATOM 0 HA PHE A 56 -13.639 8.035 -20.082 1.00 22.23 H new ATOM 0 HB2 PHE A 56 -15.211 7.864 -17.488 1.00 11.44 H new ATOM 0 HB3 PHE A 56 -14.638 9.384 -18.146 1.00 11.44 H new ATOM 0 HD1 PHE A 56 -16.523 6.350 -19.285 1.00 14.32 H new ATOM 0 HD2 PHE A 56 -16.093 10.583 -19.489 1.00 62.23 H new ATOM 0 HE1 PHE A 56 -18.519 6.482 -20.711 1.00 12.34 H new ATOM 0 HE2 PHE A 56 -18.088 10.719 -20.915 1.00 71.00 H new ATOM 0 HZ PHE A 56 -19.303 8.668 -21.533 1.00 35.24 H new ATOM 879 N VAL A 57 -11.665 6.869 -18.168 1.00 14.44 N ATOM 880 CA VAL A 57 -10.409 6.977 -17.435 1.00 53.42 C ATOM 881 C VAL A 57 -9.362 6.022 -17.996 1.00 72.11 C ATOM 882 O VAL A 57 -9.691 4.944 -18.493 1.00 10.51 O ATOM 883 CB VAL A 57 -10.607 6.683 -15.936 1.00 44.03 C ATOM 884 CG1 VAL A 57 -11.475 7.753 -15.292 1.00 23.34 C ATOM 885 CG2 VAL A 57 -11.214 5.302 -15.740 1.00 51.24 C ATOM 0 H VAL A 57 -11.837 5.951 -18.577 1.00 14.44 H new ATOM 0 HA VAL A 57 -10.060 8.003 -17.553 1.00 53.42 H new ATOM 0 HB VAL A 57 -9.632 6.699 -15.448 1.00 44.03 H new ATOM 0 HG11 VAL A 57 -11.604 7.528 -14.233 1.00 23.34 H new ATOM 0 HG12 VAL A 57 -10.995 8.725 -15.401 1.00 23.34 H new ATOM 0 HG13 VAL A 57 -12.450 7.773 -15.780 1.00 23.34 H new ATOM 0 HG21 VAL A 57 -11.347 5.111 -14.675 1.00 51.24 H new ATOM 0 HG22 VAL A 57 -12.181 5.255 -16.241 1.00 51.24 H new ATOM 0 HG23 VAL A 57 -10.549 4.549 -16.164 1.00 51.24 H new ATOM 895 N LYS A 58 -8.098 6.423 -17.913 1.00 53.21 N ATOM 896 CA LYS A 58 -7.000 5.603 -18.410 1.00 73.24 C ATOM 897 C LYS A 58 -6.340 4.830 -17.273 1.00 71.01 C ATOM 898 O LYS A 58 -5.516 5.374 -16.537 1.00 72.21 O ATOM 899 CB LYS A 58 -5.962 6.478 -19.117 1.00 31.43 C ATOM 900 CG LYS A 58 -4.737 5.711 -19.583 1.00 25.12 C ATOM 901 CD LYS A 58 -5.069 4.774 -20.732 1.00 22.43 C ATOM 902 CE LYS A 58 -5.156 3.329 -20.265 1.00 32.32 C ATOM 903 NZ LYS A 58 -4.017 2.513 -20.770 1.00 34.32 N ATOM 0 H LYS A 58 -7.809 7.312 -17.506 1.00 53.21 H new ATOM 0 HA LYS A 58 -7.408 4.887 -19.123 1.00 73.24 H new ATOM 0 HB2 LYS A 58 -6.429 6.958 -19.977 1.00 31.43 H new ATOM 0 HB3 LYS A 58 -5.647 7.273 -18.440 1.00 31.43 H new ATOM 0 HG2 LYS A 58 -3.965 6.413 -19.897 1.00 25.12 H new ATOM 0 HG3 LYS A 58 -4.328 5.137 -18.751 1.00 25.12 H new ATOM 0 HD2 LYS A 58 -6.017 5.070 -21.182 1.00 22.43 H new ATOM 0 HD3 LYS A 58 -4.307 4.862 -21.507 1.00 22.43 H new ATOM 0 HE2 LYS A 58 -5.169 3.300 -19.175 1.00 32.32 H new ATOM 0 HE3 LYS A 58 -6.095 2.893 -20.607 1.00 32.32 H new ATOM 0 HZ1 LYS A 58 -4.113 1.535 -20.430 1.00 34.32 H new ATOM 0 HZ2 LYS A 58 -4.019 2.520 -21.810 1.00 34.32 H new ATOM 0 HZ3 LYS A 58 -3.122 2.914 -20.423 1.00 34.32 H new ATOM 917 N ILE A 59 -6.706 3.560 -17.136 1.00 71.03 N ATOM 918 CA ILE A 59 -6.147 2.713 -16.090 1.00 61.22 C ATOM 919 C ILE A 59 -4.628 2.630 -16.203 1.00 74.33 C ATOM 920 O ILE A 59 -4.095 1.849 -16.993 1.00 54.11 O ATOM 921 CB ILE A 59 -6.733 1.290 -16.145 1.00 31.30 C ATOM 922 CG1 ILE A 59 -8.260 1.346 -16.232 1.00 44.52 C ATOM 923 CG2 ILE A 59 -6.296 0.490 -14.927 1.00 31.31 C ATOM 924 CD1 ILE A 59 -8.898 2.165 -15.132 1.00 3.21 C ATOM 0 H ILE A 59 -7.387 3.095 -17.736 1.00 71.03 H new ATOM 0 HA ILE A 59 -6.414 3.170 -15.137 1.00 61.22 H new ATOM 0 HB ILE A 59 -6.355 0.792 -17.038 1.00 31.30 H new ATOM 0 HG12 ILE A 59 -8.546 1.764 -17.197 1.00 44.52 H new ATOM 0 HG13 ILE A 59 -8.656 0.331 -16.194 1.00 44.52 H new ATOM 0 HG21 ILE A 59 -6.718 -0.514 -14.980 1.00 31.31 H new ATOM 0 HG22 ILE A 59 -5.208 0.425 -14.905 1.00 31.31 H new ATOM 0 HG23 ILE A 59 -6.648 0.984 -14.022 1.00 31.31 H new ATOM 0 HD11 ILE A 59 -9.981 2.161 -15.257 1.00 3.21 H new ATOM 0 HD12 ILE A 59 -8.642 1.735 -14.163 1.00 3.21 H new ATOM 0 HD13 ILE A 59 -8.531 3.190 -15.182 1.00 3.21 H new ATOM 936 N LEU A 60 -3.936 3.438 -15.408 1.00 35.12 N ATOM 937 CA LEU A 60 -2.478 3.455 -15.416 1.00 42.04 C ATOM 938 C LEU A 60 -1.915 2.356 -14.521 1.00 60.44 C ATOM 939 O LEU A 60 -0.718 2.068 -14.550 1.00 11.52 O ATOM 940 CB LEU A 60 -1.961 4.819 -14.954 1.00 75.23 C ATOM 941 CG LEU A 60 -2.710 6.038 -15.494 1.00 31.00 C ATOM 942 CD1 LEU A 60 -2.132 7.319 -14.913 1.00 55.32 C ATOM 943 CD2 LEU A 60 -2.655 6.067 -17.014 1.00 55.45 C ATOM 0 H LEU A 60 -4.361 4.090 -14.749 1.00 35.12 H new ATOM 0 HA LEU A 60 -2.144 3.273 -16.437 1.00 42.04 H new ATOM 0 HB2 LEU A 60 -1.996 4.849 -13.865 1.00 75.23 H new ATOM 0 HB3 LEU A 60 -0.913 4.905 -15.241 1.00 75.23 H new ATOM 0 HG LEU A 60 -3.754 5.964 -15.190 1.00 31.00 H new ATOM 0 HD11 LEU A 60 -2.677 8.176 -15.308 1.00 55.32 H new ATOM 0 HD12 LEU A 60 -2.224 7.300 -13.827 1.00 55.32 H new ATOM 0 HD13 LEU A 60 -1.080 7.400 -15.187 1.00 55.32 H new ATOM 0 HD21 LEU A 60 -3.193 6.941 -17.381 1.00 55.45 H new ATOM 0 HD22 LEU A 60 -1.616 6.117 -17.340 1.00 55.45 H new ATOM 0 HD23 LEU A 60 -3.117 5.163 -17.412 1.00 55.45 H new ATOM 955 N LYS A 61 -2.786 1.741 -13.728 1.00 54.54 N ATOM 956 CA LYS A 61 -2.379 0.670 -12.827 1.00 4.51 C ATOM 957 C LYS A 61 -3.590 -0.109 -12.325 1.00 1.01 C ATOM 958 O LYS A 61 -4.565 0.477 -11.855 1.00 34.33 O ATOM 959 CB LYS A 61 -1.600 1.243 -11.640 1.00 51.44 C ATOM 960 CG LYS A 61 -1.049 0.181 -10.705 1.00 2.42 C ATOM 961 CD LYS A 61 -0.001 -0.678 -11.392 1.00 72.04 C ATOM 962 CE LYS A 61 0.467 -1.812 -10.493 1.00 43.31 C ATOM 963 NZ LYS A 61 0.149 -3.146 -11.072 1.00 23.41 N ATOM 0 H LYS A 61 -3.780 1.967 -13.691 1.00 54.54 H new ATOM 0 HA LYS A 61 -1.735 -0.012 -13.382 1.00 4.51 H new ATOM 0 HB2 LYS A 61 -0.775 1.848 -12.016 1.00 51.44 H new ATOM 0 HB3 LYS A 61 -2.252 1.909 -11.075 1.00 51.44 H new ATOM 0 HG2 LYS A 61 -0.611 0.659 -9.828 1.00 2.42 H new ATOM 0 HG3 LYS A 61 -1.863 -0.451 -10.351 1.00 2.42 H new ATOM 0 HD2 LYS A 61 -0.413 -1.089 -12.313 1.00 72.04 H new ATOM 0 HD3 LYS A 61 0.851 -0.059 -11.672 1.00 72.04 H new ATOM 0 HE2 LYS A 61 1.543 -1.731 -10.337 1.00 43.31 H new ATOM 0 HE3 LYS A 61 -0.005 -1.719 -9.515 1.00 43.31 H new ATOM 0 HZ1 LYS A 61 0.484 -3.892 -10.430 1.00 23.41 H new ATOM 0 HZ2 LYS A 61 -0.880 -3.234 -11.198 1.00 23.41 H new ATOM 0 HZ3 LYS A 61 0.620 -3.246 -11.994 1.00 23.41 H new ATOM 977 N ASP A 62 -3.520 -1.432 -12.427 1.00 11.43 N ATOM 978 CA ASP A 62 -4.610 -2.291 -11.981 1.00 32.45 C ATOM 979 C ASP A 62 -4.572 -2.476 -10.467 1.00 23.33 C ATOM 980 O ASP A 62 -3.562 -2.192 -9.822 1.00 32.44 O ATOM 981 CB ASP A 62 -4.532 -3.652 -12.675 1.00 52.10 C ATOM 982 CG ASP A 62 -5.897 -4.284 -12.865 1.00 21.23 C ATOM 983 OD1 ASP A 62 -6.414 -4.879 -11.897 1.00 33.33 O ATOM 984 OD2 ASP A 62 -6.447 -4.185 -13.982 1.00 13.34 O ATOM 0 H ASP A 62 -2.720 -1.932 -12.815 1.00 11.43 H new ATOM 0 HA ASP A 62 -5.551 -1.809 -12.247 1.00 32.45 H new ATOM 0 HB2 ASP A 62 -4.051 -3.534 -13.646 1.00 52.10 H new ATOM 0 HB3 ASP A 62 -3.904 -4.321 -12.087 1.00 52.10 H new ATOM 989 N PHE A 63 -5.678 -2.953 -9.906 1.00 11.23 N ATOM 990 CA PHE A 63 -5.772 -3.174 -8.467 1.00 41.53 C ATOM 991 C PHE A 63 -4.844 -4.303 -8.029 1.00 1.33 C ATOM 992 O PHE A 63 -4.425 -5.141 -8.827 1.00 20.32 O ATOM 993 CB PHE A 63 -7.214 -3.501 -8.073 1.00 4.20 C ATOM 994 CG PHE A 63 -8.072 -2.284 -7.874 1.00 25.21 C ATOM 995 CD1 PHE A 63 -8.707 -1.685 -8.949 1.00 42.35 C ATOM 996 CD2 PHE A 63 -8.243 -1.740 -6.611 1.00 72.32 C ATOM 997 CE1 PHE A 63 -9.496 -0.565 -8.769 1.00 11.40 C ATOM 998 CE2 PHE A 63 -9.032 -0.621 -6.424 1.00 43.55 C ATOM 999 CZ PHE A 63 -9.660 -0.033 -7.505 1.00 2.41 C ATOM 0 H PHE A 63 -6.522 -3.194 -10.426 1.00 11.23 H new ATOM 0 HA PHE A 63 -5.464 -2.258 -7.963 1.00 41.53 H new ATOM 0 HB2 PHE A 63 -7.660 -4.128 -8.845 1.00 4.20 H new ATOM 0 HB3 PHE A 63 -7.207 -4.085 -7.153 1.00 4.20 H new ATOM 0 HD1 PHE A 63 -8.584 -2.098 -9.939 1.00 42.35 H new ATOM 0 HD2 PHE A 63 -7.754 -2.196 -5.763 1.00 72.32 H new ATOM 0 HE1 PHE A 63 -9.984 -0.106 -9.616 1.00 11.40 H new ATOM 0 HE2 PHE A 63 -9.157 -0.207 -5.434 1.00 43.55 H new ATOM 0 HZ PHE A 63 -10.278 0.841 -7.362 1.00 2.41 H new ATOM 1009 N PRO A 64 -4.514 -4.326 -6.729 1.00 0.51 N ATOM 1010 CA PRO A 64 -3.632 -5.346 -6.154 1.00 13.32 C ATOM 1011 C PRO A 64 -4.288 -6.722 -6.112 1.00 40.22 C ATOM 1012 O PRO A 64 -4.882 -7.105 -5.105 1.00 75.34 O ATOM 1013 CB PRO A 64 -3.375 -4.833 -4.735 1.00 1.04 C ATOM 1014 CG PRO A 64 -4.557 -3.983 -4.419 1.00 3.31 C ATOM 1015 CD PRO A 64 -4.977 -3.357 -5.720 1.00 64.43 C ATOM 0 HA PRO A 64 -2.726 -5.481 -6.744 1.00 13.32 H new ATOM 0 HB2 PRO A 64 -3.279 -5.657 -4.028 1.00 1.04 H new ATOM 0 HB3 PRO A 64 -2.450 -4.259 -4.683 1.00 1.04 H new ATOM 0 HG2 PRO A 64 -5.364 -4.580 -3.995 1.00 3.31 H new ATOM 0 HG3 PRO A 64 -4.303 -3.220 -3.683 1.00 3.31 H new ATOM 0 HD2 PRO A 64 -6.056 -3.213 -5.767 1.00 64.43 H new ATOM 0 HD3 PRO A 64 -4.518 -2.379 -5.862 1.00 64.43 H new ATOM 1023 N GLU A 65 -4.175 -7.460 -7.212 1.00 43.21 N ATOM 1024 CA GLU A 65 -4.758 -8.794 -7.300 1.00 4.44 C ATOM 1025 C GLU A 65 -3.766 -9.853 -6.827 1.00 11.22 C ATOM 1026 O GLU A 65 -2.817 -10.189 -7.535 1.00 14.24 O ATOM 1027 CB GLU A 65 -5.192 -9.091 -8.736 1.00 71.13 C ATOM 1028 CG GLU A 65 -6.214 -8.106 -9.280 1.00 22.35 C ATOM 1029 CD GLU A 65 -7.540 -8.178 -8.548 1.00 30.51 C ATOM 1030 OE1 GLU A 65 -7.711 -9.099 -7.721 1.00 55.03 O ATOM 1031 OE2 GLU A 65 -8.406 -7.315 -8.802 1.00 20.53 O ATOM 0 H GLU A 65 -3.685 -7.157 -8.054 1.00 43.21 H new ATOM 0 HA GLU A 65 -5.633 -8.824 -6.650 1.00 4.44 H new ATOM 0 HB2 GLU A 65 -4.313 -9.083 -9.381 1.00 71.13 H new ATOM 0 HB3 GLU A 65 -5.610 -10.097 -8.779 1.00 71.13 H new ATOM 0 HG2 GLU A 65 -5.815 -7.095 -9.203 1.00 22.35 H new ATOM 0 HG3 GLU A 65 -6.377 -8.305 -10.339 1.00 22.35 H new ATOM 1038 N GLU A 66 -3.994 -10.374 -5.625 1.00 41.31 N ATOM 1039 CA GLU A 66 -3.120 -11.393 -5.057 1.00 61.42 C ATOM 1040 C GLU A 66 -2.955 -12.566 -6.019 1.00 73.34 C ATOM 1041 O GLU A 66 -3.652 -12.655 -7.030 1.00 32.23 O ATOM 1042 CB GLU A 66 -3.679 -11.890 -3.722 1.00 4.41 C ATOM 1043 CG GLU A 66 -2.684 -11.803 -2.576 1.00 72.33 C ATOM 1044 CD GLU A 66 -1.923 -13.098 -2.366 1.00 12.15 C ATOM 1045 OE1 GLU A 66 -1.335 -13.606 -3.344 1.00 12.45 O ATOM 1046 OE2 GLU A 66 -1.916 -13.603 -1.224 1.00 22.32 O ATOM 0 H GLU A 66 -4.776 -10.107 -5.027 1.00 41.31 H new ATOM 0 HA GLU A 66 -2.142 -10.943 -4.888 1.00 61.42 H new ATOM 0 HB2 GLU A 66 -4.564 -11.307 -3.469 1.00 4.41 H new ATOM 0 HB3 GLU A 66 -4.001 -12.925 -3.835 1.00 4.41 H new ATOM 0 HG2 GLU A 66 -1.976 -10.998 -2.774 1.00 72.33 H new ATOM 0 HG3 GLU A 66 -3.213 -11.544 -1.659 1.00 72.33 H new TER 1053 GLU A 66