USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 655 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 60 THR OG1 : rot 180:sc= 0.816 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -177:sc= 0.571 (180deg=-0.299) USER MOD Set 2.1: A 9 THR OG1 : rot 76:sc= 0.952 USER MOD Set 2.2: A 49 SER OG : rot -165:sc= 1.06 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.114 K(o=0.077,f=-1.1) USER MOD Set 3.2: A 38 THR OG1 : rot 72:sc= 0.191 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0148 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= 1.3 (180deg=0.233) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.11 K(o=1.1,f=-0.68) USER MOD Single : A 16 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.3) USER MOD Single : A 17 THR OG1 : rot 159:sc= 1.66 USER MOD Single : A 18 TYR OH : rot -61:sc= 1.02 USER MOD Single : A 20 ASN : amide:sc= -0.0706 K(o=-0.071,f=-4.2!) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0171) USER MOD Single : A 23 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.072) USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= 0.82 (180deg=0.142) USER MOD Single : A 27 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 29 ASN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.537 K(o=-0.54,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 41:sc= 0.0251 USER MOD Single : A 42 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -67:sc= 0.904 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 143:sc= 2.31 (180deg=0.777) USER MOD Single : A 57 MET CE :methyl -177:sc= -0.605 (180deg=-0.65) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 162:sc= -0.344 USER MOD Single : A 64 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 90 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.03) USER MOD Single : A 94 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.43) USER MOD Single : A 99 GLN : amide:sc= -0.113 K(o=-0.11,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.625 17.236 -0.641 1.00 5.51 N ATOM 2 CA GLY A 1 10.450 18.318 0.326 1.00 51.15 C ATOM 3 C GLY A 1 10.095 19.616 -0.373 1.00 32.31 C ATOM 4 O GLY A 1 10.637 19.927 -1.439 1.00 2.51 O ATOM 0 H1 GLY A 1 11.433 16.645 -0.358 1.00 5.51 H new ATOM 0 H2 GLY A 1 9.764 16.654 -0.671 1.00 5.51 H new ATOM 0 H3 GLY A 1 10.804 17.638 -1.583 1.00 5.51 H new ATOM 0 HA2 GLY A 1 9.664 18.055 1.034 1.00 51.15 H new ATOM 0 HA3 GLY A 1 11.367 18.449 0.901 1.00 51.15 H new ATOM 8 N ALA A 2 9.160 20.375 0.195 1.00 64.44 N ATOM 9 CA ALA A 2 8.632 21.587 -0.417 1.00 50.23 C ATOM 10 C ALA A 2 9.026 22.819 0.396 1.00 13.22 C ATOM 11 O ALA A 2 9.516 22.697 1.518 1.00 1.53 O ATOM 12 CB ALA A 2 7.111 21.459 -0.552 1.00 3.30 C ATOM 0 H ALA A 2 8.745 20.162 1.102 1.00 64.44 H new ATOM 0 HA ALA A 2 9.060 21.713 -1.411 1.00 50.23 H new ATOM 0 HB1 ALA A 2 6.709 22.363 -1.009 1.00 3.30 H new ATOM 0 HB2 ALA A 2 6.872 20.599 -1.177 1.00 3.30 H new ATOM 0 HB3 ALA A 2 6.668 21.324 0.435 1.00 3.30 H new ATOM 18 N GLN A 3 8.777 24.010 -0.160 1.00 4.21 N ATOM 19 CA GLN A 3 8.752 25.232 0.633 1.00 71.13 C ATOM 20 C GLN A 3 7.658 25.102 1.688 1.00 42.22 C ATOM 21 O GLN A 3 7.958 25.219 2.876 1.00 43.53 O ATOM 22 CB GLN A 3 8.526 26.479 -0.237 1.00 30.41 C ATOM 23 CG GLN A 3 9.825 27.024 -0.848 1.00 50.11 C ATOM 24 CD GLN A 3 9.815 26.987 -2.370 1.00 3.22 C ATOM 25 OE1 GLN A 3 9.156 27.793 -3.021 1.00 12.41 O ATOM 26 NE2 GLN A 3 10.558 26.086 -2.979 1.00 30.31 N ATOM 0 H GLN A 3 8.591 24.148 -1.153 1.00 4.21 H new ATOM 0 HA GLN A 3 9.722 25.361 1.113 1.00 71.13 H new ATOM 0 HB2 GLN A 3 7.828 26.236 -1.038 1.00 30.41 H new ATOM 0 HB3 GLN A 3 8.060 27.258 0.367 1.00 30.41 H new ATOM 0 HG2 GLN A 3 9.977 28.050 -0.514 1.00 50.11 H new ATOM 0 HG3 GLN A 3 10.669 26.441 -0.479 1.00 50.11 H new ATOM 0 HE21 GLN A 3 11.103 25.420 -2.432 1.00 30.31 H new ATOM 0 HE22 GLN A 3 10.589 26.055 -3.998 1.00 30.31 H new ATOM 33 N ASP A 4 6.404 24.868 1.284 1.00 43.12 N ATOM 34 CA ASP A 4 5.344 24.675 2.265 1.00 44.44 C ATOM 35 C ASP A 4 4.184 23.885 1.663 1.00 65.41 C ATOM 36 O ASP A 4 3.065 24.376 1.499 1.00 11.25 O ATOM 37 CB ASP A 4 4.912 26.020 2.878 1.00 21.33 C ATOM 38 CG ASP A 4 4.464 25.817 4.320 1.00 63.23 C ATOM 39 OD1 ASP A 4 4.122 24.685 4.721 1.00 74.12 O ATOM 40 OD2 ASP A 4 4.539 26.785 5.112 1.00 12.23 O ATOM 0 H ASP A 4 6.109 24.810 0.309 1.00 43.12 H new ATOM 0 HA ASP A 4 5.729 24.074 3.089 1.00 44.44 H new ATOM 0 HB2 ASP A 4 5.740 26.728 2.842 1.00 21.33 H new ATOM 0 HB3 ASP A 4 4.099 26.451 2.293 1.00 21.33 H new ATOM 44 N GLY A 5 4.472 22.645 1.264 1.00 2.14 N ATOM 45 CA GLY A 5 3.571 21.813 0.476 1.00 3.44 C ATOM 46 C GLY A 5 2.552 21.096 1.359 1.00 52.35 C ATOM 47 O GLY A 5 2.501 19.864 1.376 1.00 54.41 O ATOM 0 H GLY A 5 5.355 22.185 1.485 1.00 2.14 H new ATOM 0 HA2 GLY A 5 3.049 22.431 -0.254 1.00 3.44 H new ATOM 0 HA3 GLY A 5 4.149 21.078 -0.084 1.00 3.44 H new ATOM 51 N LYS A 6 1.751 21.852 2.113 1.00 11.43 N ATOM 52 CA LYS A 6 0.751 21.397 3.088 1.00 34.31 C ATOM 53 C LYS A 6 -0.487 20.748 2.453 1.00 25.20 C ATOM 54 O LYS A 6 -1.583 20.861 2.996 1.00 4.11 O ATOM 55 CB LYS A 6 0.369 22.611 3.973 1.00 70.44 C ATOM 56 CG LYS A 6 1.353 22.834 5.124 1.00 21.13 C ATOM 57 CD LYS A 6 1.026 24.159 5.831 1.00 43.52 C ATOM 58 CE LYS A 6 1.666 24.316 7.217 1.00 64.23 C ATOM 59 NZ LYS A 6 3.135 24.225 7.180 1.00 31.02 N ATOM 0 H LYS A 6 1.785 22.870 2.056 1.00 11.43 H new ATOM 0 HA LYS A 6 1.192 20.602 3.689 1.00 34.31 H new ATOM 0 HB2 LYS A 6 0.329 23.508 3.355 1.00 70.44 H new ATOM 0 HB3 LYS A 6 -0.631 22.459 4.379 1.00 70.44 H new ATOM 0 HG2 LYS A 6 1.293 22.008 5.832 1.00 21.13 H new ATOM 0 HG3 LYS A 6 2.374 22.855 4.744 1.00 21.13 H new ATOM 0 HD2 LYS A 6 1.353 24.984 5.198 1.00 43.52 H new ATOM 0 HD3 LYS A 6 -0.056 24.245 5.933 1.00 43.52 H new ATOM 0 HE2 LYS A 6 1.377 25.278 7.639 1.00 64.23 H new ATOM 0 HE3 LYS A 6 1.275 23.546 7.882 1.00 64.23 H new ATOM 0 HZ1 LYS A 6 3.446 23.401 7.733 1.00 31.02 H new ATOM 0 HZ2 LYS A 6 3.452 24.120 6.195 1.00 31.02 H new ATOM 0 HZ3 LYS A 6 3.547 25.089 7.586 1.00 31.02 H new ATOM 69 N GLU A 7 -0.356 20.093 1.305 1.00 33.24 N ATOM 70 CA GLU A 7 -1.503 19.751 0.467 1.00 24.21 C ATOM 71 C GLU A 7 -1.209 18.546 -0.429 1.00 73.35 C ATOM 72 O GLU A 7 -1.546 18.520 -1.616 1.00 74.13 O ATOM 73 CB GLU A 7 -1.908 21.009 -0.309 1.00 60.31 C ATOM 74 CG GLU A 7 -3.390 20.991 -0.701 1.00 1.54 C ATOM 75 CD GLU A 7 -3.854 22.314 -1.304 1.00 60.21 C ATOM 76 OE1 GLU A 7 -3.243 23.382 -1.025 1.00 14.25 O ATOM 77 OE2 GLU A 7 -4.856 22.299 -2.044 1.00 33.11 O ATOM 0 H GLU A 7 0.541 19.785 0.929 1.00 33.24 H new ATOM 0 HA GLU A 7 -2.347 19.435 1.080 1.00 24.21 H new ATOM 0 HB2 GLU A 7 -1.705 21.891 0.299 1.00 60.31 H new ATOM 0 HB3 GLU A 7 -1.297 21.093 -1.207 1.00 60.31 H new ATOM 0 HG2 GLU A 7 -3.562 20.189 -1.418 1.00 1.54 H new ATOM 0 HG3 GLU A 7 -3.992 20.766 0.179 1.00 1.54 H new ATOM 82 N THR A 8 -0.559 17.539 0.137 1.00 3.50 N ATOM 83 CA THR A 8 -0.427 16.222 -0.458 1.00 72.22 C ATOM 84 C THR A 8 -0.564 15.186 0.653 1.00 13.23 C ATOM 85 O THR A 8 -0.094 15.388 1.778 1.00 72.12 O ATOM 86 CB THR A 8 0.901 16.073 -1.236 1.00 44.54 C ATOM 87 OG1 THR A 8 1.826 17.127 -1.005 1.00 43.44 O ATOM 88 CG2 THR A 8 0.611 15.999 -2.736 1.00 54.15 C ATOM 0 H THR A 8 -0.099 17.620 1.044 1.00 3.50 H new ATOM 0 HA THR A 8 -1.215 16.069 -1.196 1.00 72.22 H new ATOM 0 HB THR A 8 1.363 15.156 -0.870 1.00 44.54 H new ATOM 0 HG1 THR A 8 2.641 16.967 -1.526 1.00 43.44 H new ATOM 0 HG21 THR A 8 1.548 15.894 -3.283 1.00 54.15 H new ATOM 0 HG22 THR A 8 -0.027 15.140 -2.941 1.00 54.15 H new ATOM 0 HG23 THR A 8 0.105 16.911 -3.054 1.00 54.15 H new ATOM 96 N THR A 9 -1.213 14.072 0.329 1.00 53.13 N ATOM 97 CA THR A 9 -1.137 12.865 1.130 1.00 43.45 C ATOM 98 C THR A 9 0.274 12.294 1.017 1.00 51.52 C ATOM 99 O THR A 9 1.060 12.663 0.133 1.00 51.21 O ATOM 100 CB THR A 9 -2.199 11.850 0.656 1.00 3.43 C ATOM 101 OG1 THR A 9 -2.405 11.907 -0.749 1.00 63.41 O ATOM 102 CG2 THR A 9 -3.532 12.078 1.343 1.00 71.44 C ATOM 0 H THR A 9 -1.805 13.985 -0.497 1.00 53.13 H new ATOM 0 HA THR A 9 -1.343 13.089 2.177 1.00 43.45 H new ATOM 0 HB THR A 9 -1.810 10.867 0.921 1.00 3.43 H new ATOM 0 HG1 THR A 9 -1.657 11.469 -1.207 1.00 63.41 H new ATOM 0 HG21 THR A 9 -4.256 11.346 0.985 1.00 71.44 H new ATOM 0 HG22 THR A 9 -3.409 11.970 2.421 1.00 71.44 H new ATOM 0 HG23 THR A 9 -3.890 13.082 1.117 1.00 71.44 H new ATOM 110 N THR A 10 0.578 11.341 1.885 1.00 35.24 N ATOM 111 CA THR A 10 1.764 10.531 1.752 1.00 73.22 C ATOM 112 C THR A 10 1.330 9.084 1.904 1.00 42.55 C ATOM 113 O THR A 10 0.504 8.767 2.765 1.00 2.32 O ATOM 114 CB THR A 10 2.826 10.970 2.774 1.00 51.44 C ATOM 115 OG1 THR A 10 3.094 12.355 2.619 1.00 42.51 O ATOM 116 CG2 THR A 10 4.142 10.214 2.605 1.00 61.02 C ATOM 0 H THR A 10 0.006 11.113 2.698 1.00 35.24 H new ATOM 0 HA THR A 10 2.239 10.651 0.778 1.00 73.22 H new ATOM 0 HB THR A 10 2.423 10.751 3.763 1.00 51.44 H new ATOM 0 HG1 THR A 10 3.770 12.633 3.272 1.00 42.51 H new ATOM 0 HG21 THR A 10 4.859 10.560 3.350 1.00 61.02 H new ATOM 0 HG22 THR A 10 3.968 9.146 2.738 1.00 61.02 H new ATOM 0 HG23 THR A 10 4.540 10.395 1.607 1.00 61.02 H new ATOM 124 N ILE A 11 1.887 8.229 1.052 1.00 11.24 N ATOM 125 CA ILE A 11 1.754 6.793 1.130 1.00 14.42 C ATOM 126 C ILE A 11 3.083 6.282 1.670 1.00 73.24 C ATOM 127 O ILE A 11 4.144 6.850 1.408 1.00 52.34 O ATOM 128 CB ILE A 11 1.398 6.209 -0.251 1.00 55.12 C ATOM 129 CG1 ILE A 11 0.025 6.730 -0.713 1.00 24.10 C ATOM 130 CG2 ILE A 11 1.339 4.674 -0.195 1.00 24.53 C ATOM 131 CD1 ILE A 11 -0.182 6.657 -2.220 1.00 13.13 C ATOM 0 H ILE A 11 2.460 8.535 0.266 1.00 11.24 H new ATOM 0 HA ILE A 11 0.942 6.484 1.789 1.00 14.42 H new ATOM 0 HB ILE A 11 2.173 6.521 -0.952 1.00 55.12 H new ATOM 0 HG12 ILE A 11 -0.757 6.154 -0.219 1.00 24.10 H new ATOM 0 HG13 ILE A 11 -0.089 7.765 -0.389 1.00 24.10 H new ATOM 0 HG21 ILE A 11 1.086 4.283 -1.181 1.00 24.53 H new ATOM 0 HG22 ILE A 11 2.309 4.284 0.112 1.00 24.53 H new ATOM 0 HG23 ILE A 11 0.580 4.365 0.523 1.00 24.53 H new ATOM 0 HD11 ILE A 11 -1.171 7.041 -2.470 1.00 13.13 H new ATOM 0 HD12 ILE A 11 0.578 7.257 -2.721 1.00 13.13 H new ATOM 0 HD13 ILE A 11 -0.101 5.621 -2.549 1.00 13.13 H new ATOM 142 N ARG A 12 3.037 5.156 2.371 1.00 11.14 N ATOM 143 CA ARG A 12 4.217 4.366 2.641 1.00 13.41 C ATOM 144 C ARG A 12 3.850 2.916 2.414 1.00 72.44 C ATOM 145 O ARG A 12 2.807 2.461 2.884 1.00 40.34 O ATOM 146 CB ARG A 12 4.724 4.643 4.057 1.00 65.44 C ATOM 147 CG ARG A 12 6.074 3.953 4.304 1.00 5.10 C ATOM 148 CD ARG A 12 6.159 3.426 5.728 1.00 32.22 C ATOM 149 NE ARG A 12 6.205 4.531 6.695 1.00 71.53 N ATOM 150 CZ ARG A 12 7.273 5.209 7.120 1.00 10.01 C ATOM 151 NH1 ARG A 12 8.499 4.957 6.681 1.00 45.05 N ATOM 152 NH2 ARG A 12 7.102 6.181 8.001 1.00 3.43 N ATOM 0 H ARG A 12 2.179 4.771 2.765 1.00 11.14 H new ATOM 0 HA ARG A 12 5.039 4.627 1.975 1.00 13.41 H new ATOM 0 HB2 ARG A 12 4.828 5.718 4.206 1.00 65.44 H new ATOM 0 HB3 ARG A 12 3.993 4.290 4.784 1.00 65.44 H new ATOM 0 HG2 ARG A 12 6.202 3.131 3.599 1.00 5.10 H new ATOM 0 HG3 ARG A 12 6.886 4.657 4.123 1.00 5.10 H new ATOM 0 HD2 ARG A 12 5.298 2.791 5.937 1.00 32.22 H new ATOM 0 HD3 ARG A 12 7.048 2.805 5.837 1.00 32.22 H new ATOM 0 HE ARG A 12 5.309 4.815 7.091 1.00 71.53 H new ATOM 0 HH11 ARG A 12 8.653 4.221 5.992 1.00 45.05 H new ATOM 0 HH12 ARG A 12 9.288 5.499 7.032 1.00 45.05 H new ATOM 0 HH21 ARG A 12 6.166 6.400 8.343 1.00 3.43 H new ATOM 0 HH22 ARG A 12 7.906 6.711 8.338 1.00 3.43 H new ATOM 163 N LEU A 13 4.674 2.200 1.669 1.00 5.13 N ATOM 164 CA LEU A 13 4.540 0.764 1.493 1.00 45.01 C ATOM 165 C LEU A 13 5.540 0.098 2.423 1.00 25.23 C ATOM 166 O LEU A 13 6.678 0.554 2.527 1.00 25.42 O ATOM 167 CB LEU A 13 4.812 0.410 0.019 1.00 23.42 C ATOM 168 CG LEU A 13 3.588 0.250 -0.897 1.00 43.32 C ATOM 169 CD1 LEU A 13 3.010 -1.155 -0.765 1.00 43.45 C ATOM 170 CD2 LEU A 13 2.528 1.330 -0.680 1.00 75.33 C ATOM 0 H LEU A 13 5.463 2.603 1.164 1.00 5.13 H new ATOM 0 HA LEU A 13 3.536 0.417 1.736 1.00 45.01 H new ATOM 0 HB2 LEU A 13 5.452 1.185 -0.403 1.00 23.42 H new ATOM 0 HB3 LEU A 13 5.379 -0.521 -0.007 1.00 23.42 H new ATOM 0 HG LEU A 13 3.931 0.388 -1.922 1.00 43.32 H new ATOM 0 HD11 LEU A 13 2.144 -1.255 -1.419 1.00 43.45 H new ATOM 0 HD12 LEU A 13 3.766 -1.887 -1.049 1.00 43.45 H new ATOM 0 HD13 LEU A 13 2.707 -1.328 0.268 1.00 43.45 H new ATOM 0 HD21 LEU A 13 1.691 1.160 -1.357 1.00 75.33 H new ATOM 0 HD22 LEU A 13 2.175 1.291 0.350 1.00 75.33 H new ATOM 0 HD23 LEU A 13 2.961 2.310 -0.879 1.00 75.33 H new ATOM 181 N ILE A 14 5.114 -0.969 3.097 1.00 71.32 N ATOM 182 CA ILE A 14 5.920 -1.811 3.960 1.00 14.44 C ATOM 183 C ILE A 14 5.708 -3.272 3.531 1.00 1.42 C ATOM 184 O ILE A 14 4.579 -3.675 3.244 1.00 61.13 O ATOM 185 CB ILE A 14 5.500 -1.600 5.435 1.00 1.12 C ATOM 186 CG1 ILE A 14 5.389 -0.133 5.916 1.00 64.52 C ATOM 187 CG2 ILE A 14 6.494 -2.330 6.346 1.00 54.14 C ATOM 188 CD1 ILE A 14 4.037 0.528 5.606 1.00 32.13 C ATOM 0 H ILE A 14 4.144 -1.281 3.049 1.00 71.32 H new ATOM 0 HA ILE A 14 6.976 -1.555 3.874 1.00 14.44 H new ATOM 0 HB ILE A 14 4.488 -2.000 5.492 1.00 1.12 H new ATOM 0 HG12 ILE A 14 5.559 -0.101 6.992 1.00 64.52 H new ATOM 0 HG13 ILE A 14 6.182 0.452 5.451 1.00 64.52 H new ATOM 0 HG21 ILE A 14 6.206 -2.187 7.387 1.00 54.14 H new ATOM 0 HG22 ILE A 14 6.489 -3.394 6.111 1.00 54.14 H new ATOM 0 HG23 ILE A 14 7.495 -1.928 6.188 1.00 54.14 H new ATOM 0 HD11 ILE A 14 4.040 1.554 5.975 1.00 32.13 H new ATOM 0 HD12 ILE A 14 3.872 0.531 4.529 1.00 32.13 H new ATOM 0 HD13 ILE A 14 3.238 -0.031 6.094 1.00 32.13 H new ATOM 199 N ASN A 15 6.764 -4.089 3.528 1.00 33.23 N ATOM 200 CA ASN A 15 6.729 -5.516 3.206 1.00 12.43 C ATOM 201 C ASN A 15 6.896 -6.433 4.438 1.00 5.42 C ATOM 202 O ASN A 15 7.848 -7.212 4.489 1.00 65.52 O ATOM 203 CB ASN A 15 7.858 -5.796 2.203 1.00 42.35 C ATOM 204 CG ASN A 15 7.640 -7.132 1.510 1.00 41.35 C ATOM 205 OD1 ASN A 15 6.528 -7.496 1.139 1.00 14.31 O ATOM 206 ND2 ASN A 15 8.711 -7.858 1.284 1.00 11.02 N ATOM 0 H ASN A 15 7.702 -3.761 3.759 1.00 33.23 H new ATOM 0 HA ASN A 15 5.746 -5.742 2.793 1.00 12.43 H new ATOM 0 HB2 ASN A 15 7.899 -4.998 1.461 1.00 42.35 H new ATOM 0 HB3 ASN A 15 8.818 -5.801 2.720 1.00 42.35 H new ATOM 0 HD21 ASN A 15 8.630 -8.747 0.790 1.00 11.02 H new ATOM 0 HD22 ASN A 15 9.624 -7.533 1.603 1.00 11.02 H new ATOM 212 N GLN A 16 6.044 -6.348 5.467 1.00 74.45 N ATOM 213 CA GLN A 16 6.145 -7.160 6.691 1.00 12.31 C ATOM 214 C GLN A 16 5.711 -8.623 6.469 1.00 1.30 C ATOM 215 O GLN A 16 4.826 -9.148 7.148 1.00 4.22 O ATOM 216 CB GLN A 16 5.378 -6.538 7.873 1.00 74.15 C ATOM 217 CG GLN A 16 5.751 -5.076 8.178 1.00 74.24 C ATOM 218 CD GLN A 16 5.757 -4.759 9.674 1.00 2.31 C ATOM 219 OE1 GLN A 16 5.060 -5.368 10.481 1.00 3.20 O ATOM 220 NE2 GLN A 16 6.544 -3.784 10.108 1.00 64.11 N ATOM 0 H GLN A 16 5.253 -5.704 5.475 1.00 74.45 H new ATOM 0 HA GLN A 16 7.204 -7.168 6.951 1.00 12.31 H new ATOM 0 HB2 GLN A 16 4.309 -6.591 7.664 1.00 74.15 H new ATOM 0 HB3 GLN A 16 5.559 -7.139 8.764 1.00 74.15 H new ATOM 0 HG2 GLN A 16 6.737 -4.865 7.764 1.00 74.24 H new ATOM 0 HG3 GLN A 16 5.045 -4.415 7.675 1.00 74.24 H new ATOM 0 HE21 GLN A 16 7.129 -3.269 9.450 1.00 64.11 H new ATOM 0 HE22 GLN A 16 6.565 -3.549 11.100 1.00 64.11 H new ATOM 227 N THR A 17 6.371 -9.299 5.539 1.00 1.13 N ATOM 228 CA THR A 17 6.129 -10.683 5.152 1.00 20.24 C ATOM 229 C THR A 17 7.435 -11.454 4.986 1.00 0.00 C ATOM 230 O THR A 17 8.525 -10.879 4.948 1.00 32.40 O ATOM 231 CB THR A 17 5.336 -10.715 3.840 1.00 13.31 C ATOM 232 OG1 THR A 17 5.929 -9.824 2.921 1.00 14.23 O ATOM 233 CG2 THR A 17 3.869 -10.374 4.059 1.00 75.44 C ATOM 0 H THR A 17 7.130 -8.875 5.006 1.00 1.13 H new ATOM 0 HA THR A 17 5.556 -11.164 5.945 1.00 20.24 H new ATOM 0 HB THR A 17 5.366 -11.728 3.438 1.00 13.31 H new ATOM 0 HG1 THR A 17 5.666 -10.071 2.010 1.00 14.23 H new ATOM 0 HG21 THR A 17 3.341 -10.407 3.106 1.00 75.44 H new ATOM 0 HG22 THR A 17 3.426 -11.096 4.744 1.00 75.44 H new ATOM 0 HG23 THR A 17 3.788 -9.374 4.484 1.00 75.44 H new ATOM 241 N TYR A 18 7.319 -12.774 4.816 1.00 34.12 N ATOM 242 CA TYR A 18 8.424 -13.716 4.648 1.00 32.32 C ATOM 243 C TYR A 18 8.989 -13.784 3.220 1.00 41.04 C ATOM 244 O TYR A 18 9.879 -14.601 2.970 1.00 61.42 O ATOM 245 CB TYR A 18 8.033 -15.108 5.178 1.00 54.42 C ATOM 246 CG TYR A 18 7.092 -15.993 4.363 1.00 11.12 C ATOM 247 CD1 TYR A 18 6.149 -15.482 3.449 1.00 61.22 C ATOM 248 CD2 TYR A 18 7.138 -17.381 4.582 1.00 3.11 C ATOM 249 CE1 TYR A 18 5.216 -16.343 2.830 1.00 41.41 C ATOM 250 CE2 TYR A 18 6.253 -18.254 3.929 1.00 72.42 C ATOM 251 CZ TYR A 18 5.270 -17.736 3.063 1.00 55.41 C ATOM 252 OH TYR A 18 4.406 -18.587 2.445 1.00 42.45 O ATOM 0 H TYR A 18 6.409 -13.234 4.791 1.00 34.12 H new ATOM 0 HA TYR A 18 9.246 -13.327 5.249 1.00 32.32 H new ATOM 0 HB2 TYR A 18 8.955 -15.668 5.331 1.00 54.42 H new ATOM 0 HB3 TYR A 18 7.579 -14.967 6.159 1.00 54.42 H new ATOM 0 HD1 TYR A 18 6.140 -14.426 3.221 1.00 61.22 H new ATOM 0 HD2 TYR A 18 7.869 -17.784 5.267 1.00 3.11 H new ATOM 0 HE1 TYR A 18 4.459 -15.936 2.176 1.00 41.41 H new ATOM 0 HE2 TYR A 18 6.326 -19.319 4.090 1.00 72.42 H new ATOM 0 HH TYR A 18 3.487 -18.366 2.705 1.00 42.45 H new ATOM 261 N PHE A 19 8.532 -12.925 2.298 1.00 5.43 N ATOM 262 CA PHE A 19 8.989 -12.904 0.909 1.00 21.33 C ATOM 263 C PHE A 19 9.555 -11.527 0.515 1.00 44.35 C ATOM 264 O PHE A 19 9.746 -10.656 1.364 1.00 3.33 O ATOM 265 CB PHE A 19 7.881 -13.388 -0.036 1.00 71.13 C ATOM 266 CG PHE A 19 6.553 -12.692 0.164 1.00 1.20 C ATOM 267 CD1 PHE A 19 6.377 -11.342 -0.189 1.00 62.13 C ATOM 268 CD2 PHE A 19 5.523 -13.383 0.817 1.00 20.30 C ATOM 269 CE1 PHE A 19 5.176 -10.688 0.128 1.00 15.34 C ATOM 270 CE2 PHE A 19 4.355 -12.713 1.201 1.00 63.34 C ATOM 271 CZ PHE A 19 4.172 -11.370 0.833 1.00 63.51 C ATOM 0 H PHE A 19 7.826 -12.218 2.503 1.00 5.43 H new ATOM 0 HA PHE A 19 9.818 -13.605 0.812 1.00 21.33 H new ATOM 0 HB2 PHE A 19 8.206 -13.239 -1.066 1.00 71.13 H new ATOM 0 HB3 PHE A 19 7.742 -14.460 0.103 1.00 71.13 H new ATOM 0 HD1 PHE A 19 7.164 -10.810 -0.703 1.00 62.13 H new ATOM 0 HD2 PHE A 19 5.631 -14.437 1.025 1.00 20.30 H new ATOM 0 HE1 PHE A 19 5.025 -9.661 -0.170 1.00 15.34 H new ATOM 0 HE2 PHE A 19 3.599 -13.226 1.777 1.00 63.34 H new ATOM 0 HZ PHE A 19 3.256 -10.860 1.093 1.00 63.51 H new ATOM 280 N ASN A 20 9.804 -11.339 -0.786 1.00 12.04 N ATOM 281 CA ASN A 20 10.203 -10.119 -1.492 1.00 24.34 C ATOM 282 C ASN A 20 9.145 -9.837 -2.568 1.00 31.33 C ATOM 283 O ASN A 20 8.547 -10.781 -3.094 1.00 5.20 O ATOM 284 CB ASN A 20 11.583 -10.370 -2.129 1.00 51.02 C ATOM 285 CG ASN A 20 11.932 -9.363 -3.220 1.00 10.13 C ATOM 286 OD1 ASN A 20 12.077 -8.182 -2.962 1.00 42.33 O ATOM 287 ND2 ASN A 20 12.097 -9.796 -4.461 1.00 21.23 N ATOM 0 H ASN A 20 9.722 -12.120 -1.437 1.00 12.04 H new ATOM 0 HA ASN A 20 10.272 -9.261 -0.824 1.00 24.34 H new ATOM 0 HB2 ASN A 20 12.347 -10.334 -1.352 1.00 51.02 H new ATOM 0 HB3 ASN A 20 11.604 -11.375 -2.551 1.00 51.02 H new ATOM 0 HD21 ASN A 20 12.346 -9.140 -5.201 1.00 21.23 H new ATOM 0 HD22 ASN A 20 11.975 -10.786 -4.676 1.00 21.23 H new ATOM 293 N VAL A 21 8.910 -8.573 -2.925 1.00 65.12 N ATOM 294 CA VAL A 21 7.947 -8.163 -3.954 1.00 10.01 C ATOM 295 C VAL A 21 8.616 -7.138 -4.872 1.00 34.10 C ATOM 296 O VAL A 21 9.407 -6.326 -4.411 1.00 53.02 O ATOM 297 CB VAL A 21 6.666 -7.583 -3.315 1.00 54.35 C ATOM 298 CG1 VAL A 21 5.739 -8.658 -2.758 1.00 51.12 C ATOM 299 CG2 VAL A 21 6.937 -6.573 -2.191 1.00 32.52 C ATOM 0 H VAL A 21 9.395 -7.785 -2.497 1.00 65.12 H new ATOM 0 HA VAL A 21 7.647 -9.033 -4.538 1.00 10.01 H new ATOM 0 HB VAL A 21 6.182 -7.069 -4.146 1.00 54.35 H new ATOM 0 HG11 VAL A 21 4.857 -8.188 -2.323 1.00 51.12 H new ATOM 0 HG12 VAL A 21 5.434 -9.327 -3.562 1.00 51.12 H new ATOM 0 HG13 VAL A 21 6.263 -9.228 -1.991 1.00 51.12 H new ATOM 0 HG21 VAL A 21 5.990 -6.210 -1.792 1.00 32.52 H new ATOM 0 HG22 VAL A 21 7.504 -7.057 -1.396 1.00 32.52 H new ATOM 0 HG23 VAL A 21 7.510 -5.734 -2.586 1.00 32.52 H new ATOM 309 N LYS A 22 8.307 -7.146 -6.176 1.00 11.03 N ATOM 310 CA LYS A 22 9.087 -6.414 -7.194 1.00 33.44 C ATOM 311 C LYS A 22 8.237 -5.721 -8.254 1.00 63.31 C ATOM 312 O LYS A 22 8.668 -5.510 -9.386 1.00 34.13 O ATOM 313 CB LYS A 22 10.148 -7.352 -7.805 1.00 3.42 C ATOM 314 CG LYS A 22 9.548 -8.645 -8.386 1.00 64.21 C ATOM 315 CD LYS A 22 9.582 -9.814 -7.389 1.00 53.04 C ATOM 316 CE LYS A 22 8.601 -10.896 -7.826 1.00 71.44 C ATOM 317 NZ LYS A 22 9.007 -11.532 -9.093 1.00 70.31 N ATOM 0 H LYS A 22 7.512 -7.658 -6.558 1.00 11.03 H new ATOM 0 HA LYS A 22 9.590 -5.592 -6.685 1.00 33.44 H new ATOM 0 HB2 LYS A 22 10.683 -6.821 -8.592 1.00 3.42 H new ATOM 0 HB3 LYS A 22 10.880 -7.610 -7.040 1.00 3.42 H new ATOM 0 HG2 LYS A 22 8.517 -8.459 -8.687 1.00 64.21 H new ATOM 0 HG3 LYS A 22 10.097 -8.924 -9.285 1.00 64.21 H new ATOM 0 HD2 LYS A 22 10.590 -10.226 -7.332 1.00 53.04 H new ATOM 0 HD3 LYS A 22 9.325 -9.460 -6.391 1.00 53.04 H new ATOM 0 HE2 LYS A 22 8.528 -11.655 -7.047 1.00 71.44 H new ATOM 0 HE3 LYS A 22 7.609 -10.460 -7.941 1.00 71.44 H new ATOM 0 HZ1 LYS A 22 8.341 -12.295 -9.327 1.00 70.31 H new ATOM 0 HZ2 LYS A 22 9.003 -10.823 -9.854 1.00 70.31 H new ATOM 0 HZ3 LYS A 22 9.964 -11.927 -8.992 1.00 70.31 H new ATOM 327 N ASN A 23 6.984 -5.423 -7.919 1.00 23.21 N ATOM 328 CA ASN A 23 5.965 -4.954 -8.850 1.00 54.03 C ATOM 329 C ASN A 23 4.688 -4.770 -8.053 1.00 13.04 C ATOM 330 O ASN A 23 3.799 -5.623 -8.078 1.00 14.04 O ATOM 331 CB ASN A 23 5.749 -5.908 -10.059 1.00 70.12 C ATOM 332 CG ASN A 23 5.839 -7.407 -9.773 1.00 44.03 C ATOM 333 OD1 ASN A 23 6.375 -8.172 -10.565 1.00 63.53 O ATOM 334 ND2 ASN A 23 5.350 -7.861 -8.636 1.00 11.13 N ATOM 0 H ASN A 23 6.641 -5.504 -6.962 1.00 23.21 H new ATOM 0 HA ASN A 23 6.290 -4.014 -9.297 1.00 54.03 H new ATOM 0 HB2 ASN A 23 4.767 -5.701 -10.485 1.00 70.12 H new ATOM 0 HB3 ASN A 23 6.487 -5.662 -10.823 1.00 70.12 H new ATOM 0 HD21 ASN A 23 5.417 -8.854 -8.412 1.00 11.13 H new ATOM 0 HD22 ASN A 23 4.905 -7.219 -7.980 1.00 11.13 H new ATOM 340 N ILE A 24 4.647 -3.721 -7.242 1.00 62.53 N ATOM 341 CA ILE A 24 3.560 -3.452 -6.314 1.00 63.52 C ATOM 342 C ILE A 24 2.833 -2.212 -6.795 1.00 54.43 C ATOM 343 O ILE A 24 3.289 -1.098 -6.528 1.00 63.34 O ATOM 344 CB ILE A 24 4.137 -3.279 -4.903 1.00 15.42 C ATOM 345 CG1 ILE A 24 5.067 -4.451 -4.551 1.00 74.31 C ATOM 346 CG2 ILE A 24 3.033 -3.133 -3.858 1.00 12.20 C ATOM 347 CD1 ILE A 24 6.541 -4.056 -4.656 1.00 44.02 C ATOM 0 H ILE A 24 5.386 -3.019 -7.212 1.00 62.53 H new ATOM 0 HA ILE A 24 2.848 -4.277 -6.275 1.00 63.52 H new ATOM 0 HB ILE A 24 4.720 -2.358 -4.895 1.00 15.42 H new ATOM 0 HG12 ILE A 24 4.853 -4.793 -3.538 1.00 74.31 H new ATOM 0 HG13 ILE A 24 4.866 -5.288 -5.220 1.00 74.31 H new ATOM 0 HG21 ILE A 24 3.480 -3.013 -2.871 1.00 12.20 H new ATOM 0 HG22 ILE A 24 2.425 -2.258 -4.090 1.00 12.20 H new ATOM 0 HG23 ILE A 24 2.405 -4.024 -3.866 1.00 12.20 H new ATOM 0 HD11 ILE A 24 7.166 -4.911 -4.399 1.00 44.02 H new ATOM 0 HD12 ILE A 24 6.761 -3.739 -5.675 1.00 44.02 H new ATOM 0 HD13 ILE A 24 6.748 -3.236 -3.968 1.00 44.02 H new ATOM 358 N LYS A 25 1.732 -2.387 -7.533 1.00 64.31 N ATOM 359 CA LYS A 25 0.914 -1.229 -7.885 1.00 1.33 C ATOM 360 C LYS A 25 0.209 -0.697 -6.654 1.00 63.52 C ATOM 361 O LYS A 25 -0.166 -1.459 -5.757 1.00 60.23 O ATOM 362 CB LYS A 25 -0.121 -1.529 -8.972 1.00 72.11 C ATOM 363 CG LYS A 25 0.455 -1.409 -10.389 1.00 31.40 C ATOM 364 CD LYS A 25 -0.539 -0.762 -11.339 1.00 60.42 C ATOM 365 CE LYS A 25 -0.838 0.693 -10.975 1.00 53.04 C ATOM 366 NZ LYS A 25 0.261 1.616 -11.298 1.00 4.30 N ATOM 0 H LYS A 25 1.398 -3.284 -7.885 1.00 64.31 H new ATOM 0 HA LYS A 25 1.597 -0.481 -8.288 1.00 1.33 H new ATOM 0 HB2 LYS A 25 -0.512 -2.536 -8.827 1.00 72.11 H new ATOM 0 HB3 LYS A 25 -0.961 -0.843 -8.867 1.00 72.11 H new ATOM 0 HG2 LYS A 25 1.371 -0.819 -10.362 1.00 31.40 H new ATOM 0 HG3 LYS A 25 0.723 -2.398 -10.759 1.00 31.40 H new ATOM 0 HD2 LYS A 25 -0.146 -0.805 -12.355 1.00 60.42 H new ATOM 0 HD3 LYS A 25 -1.468 -1.333 -11.332 1.00 60.42 H new ATOM 0 HE2 LYS A 25 -1.737 1.013 -11.501 1.00 53.04 H new ATOM 0 HE3 LYS A 25 -1.053 0.756 -9.908 1.00 53.04 H new ATOM 0 HZ1 LYS A 25 -0.131 2.536 -11.584 1.00 4.30 H new ATOM 0 HZ2 LYS A 25 0.866 1.742 -10.461 1.00 4.30 H new ATOM 0 HZ3 LYS A 25 0.826 1.223 -12.078 1.00 4.30 H new ATOM 376 N VAL A 26 0.011 0.613 -6.640 1.00 73.21 N ATOM 377 CA VAL A 26 -0.648 1.340 -5.578 1.00 1.31 C ATOM 378 C VAL A 26 -1.584 2.347 -6.227 1.00 4.14 C ATOM 379 O VAL A 26 -1.128 3.019 -7.145 1.00 74.43 O ATOM 380 CB VAL A 26 0.433 2.065 -4.749 1.00 53.45 C ATOM 381 CG1 VAL A 26 -0.167 2.742 -3.518 1.00 42.15 C ATOM 382 CG2 VAL A 26 1.567 1.123 -4.336 1.00 72.15 C ATOM 0 H VAL A 26 0.319 1.218 -7.401 1.00 73.21 H new ATOM 0 HA VAL A 26 -1.216 0.679 -4.923 1.00 1.31 H new ATOM 0 HB VAL A 26 0.856 2.835 -5.395 1.00 53.45 H new ATOM 0 HG11 VAL A 26 0.622 3.243 -2.957 1.00 42.15 H new ATOM 0 HG12 VAL A 26 -0.910 3.475 -3.832 1.00 42.15 H new ATOM 0 HG13 VAL A 26 -0.642 1.992 -2.885 1.00 42.15 H new ATOM 0 HG21 VAL A 26 2.305 1.675 -3.755 1.00 72.15 H new ATOM 0 HG22 VAL A 26 1.163 0.310 -3.732 1.00 72.15 H new ATOM 0 HG23 VAL A 26 2.041 0.712 -5.227 1.00 72.15 H new ATOM 392 N THR A 27 -2.818 2.487 -5.739 1.00 72.21 N ATOM 393 CA THR A 27 -3.845 3.401 -6.251 1.00 21.23 C ATOM 394 C THR A 27 -4.498 4.145 -5.080 1.00 14.32 C ATOM 395 O THR A 27 -4.560 3.573 -3.994 1.00 71.55 O ATOM 396 CB THR A 27 -4.930 2.583 -6.967 1.00 44.33 C ATOM 397 OG1 THR A 27 -4.394 1.514 -7.724 1.00 52.42 O ATOM 398 CG2 THR A 27 -5.829 3.440 -7.847 1.00 74.24 C ATOM 0 H THR A 27 -3.145 1.943 -4.941 1.00 72.21 H new ATOM 0 HA THR A 27 -3.386 4.113 -6.937 1.00 21.23 H new ATOM 0 HB THR A 27 -5.541 2.163 -6.168 1.00 44.33 H new ATOM 0 HG1 THR A 27 -4.329 0.715 -7.161 1.00 52.42 H new ATOM 0 HG21 THR A 27 -6.576 2.809 -8.328 1.00 74.24 H new ATOM 0 HG22 THR A 27 -6.328 4.191 -7.235 1.00 74.24 H new ATOM 0 HG23 THR A 27 -5.227 3.934 -8.610 1.00 74.24 H new ATOM 406 N TRP A 28 -5.023 5.365 -5.266 1.00 23.12 N ATOM 407 CA TRP A 28 -5.633 6.162 -4.183 1.00 52.04 C ATOM 408 C TRP A 28 -6.644 7.205 -4.680 1.00 11.40 C ATOM 409 O TRP A 28 -6.997 8.171 -4.002 1.00 21.44 O ATOM 410 CB TRP A 28 -4.498 6.846 -3.415 1.00 74.33 C ATOM 411 CG TRP A 28 -3.647 7.731 -4.276 1.00 20.11 C ATOM 412 CD1 TRP A 28 -3.892 9.020 -4.598 1.00 34.04 C ATOM 413 CD2 TRP A 28 -2.471 7.351 -5.037 1.00 71.44 C ATOM 414 NE1 TRP A 28 -2.941 9.467 -5.498 1.00 15.31 N ATOM 415 CE2 TRP A 28 -2.064 8.455 -5.842 1.00 23.42 C ATOM 416 CE3 TRP A 28 -1.732 6.159 -5.135 1.00 14.12 C ATOM 417 CZ2 TRP A 28 -0.971 8.368 -6.718 1.00 32.30 C ATOM 418 CZ3 TRP A 28 -0.623 6.068 -5.987 1.00 72.42 C ATOM 419 CH2 TRP A 28 -0.245 7.166 -6.780 1.00 40.04 C ATOM 0 H TRP A 28 -5.038 5.831 -6.173 1.00 23.12 H new ATOM 0 HA TRP A 28 -6.203 5.488 -3.544 1.00 52.04 H new ATOM 0 HB2 TRP A 28 -4.923 7.439 -2.605 1.00 74.33 H new ATOM 0 HB3 TRP A 28 -3.869 6.084 -2.956 1.00 74.33 H new ATOM 0 HD1 TRP A 28 -4.708 9.613 -4.211 1.00 34.04 H new ATOM 0 HE1 TRP A 28 -2.893 10.419 -5.861 1.00 15.31 H new ATOM 0 HE3 TRP A 28 -2.023 5.302 -4.546 1.00 14.12 H new ATOM 0 HZ2 TRP A 28 -0.692 9.210 -7.334 1.00 32.30 H new ATOM 0 HZ3 TRP A 28 -0.056 5.150 -6.035 1.00 72.42 H new ATOM 0 HH2 TRP A 28 0.607 7.085 -7.439 1.00 40.04 H new ATOM 429 N ASN A 29 -7.124 7.038 -5.894 1.00 24.12 N ATOM 430 CA ASN A 29 -8.215 7.804 -6.488 1.00 24.41 C ATOM 431 C ASN A 29 -8.780 6.928 -7.598 1.00 54.42 C ATOM 432 O ASN A 29 -8.426 5.745 -7.668 1.00 14.42 O ATOM 433 CB ASN A 29 -7.745 9.188 -6.981 1.00 14.42 C ATOM 434 CG ASN A 29 -8.694 10.286 -6.529 1.00 24.21 C ATOM 435 OD1 ASN A 29 -9.419 10.859 -7.328 1.00 61.04 O ATOM 436 ND2 ASN A 29 -8.698 10.614 -5.246 1.00 52.44 N ATOM 0 H ASN A 29 -6.751 6.332 -6.529 1.00 24.12 H new ATOM 0 HA ASN A 29 -8.990 8.035 -5.758 1.00 24.41 H new ATOM 0 HB2 ASN A 29 -6.743 9.391 -6.602 1.00 14.42 H new ATOM 0 HB3 ASN A 29 -7.679 9.186 -8.069 1.00 14.42 H new ATOM 0 HD21 ASN A 29 -9.313 11.356 -4.911 1.00 52.44 H new ATOM 0 HD22 ASN A 29 -8.086 10.125 -4.593 1.00 52.44 H new ATOM 442 N ASP A 30 -9.671 7.451 -8.431 1.00 2.12 N ATOM 443 CA ASP A 30 -10.177 6.695 -9.570 1.00 43.33 C ATOM 444 C ASP A 30 -9.285 7.023 -10.764 1.00 11.11 C ATOM 445 O ASP A 30 -9.459 8.056 -11.416 1.00 33.04 O ATOM 446 CB ASP A 30 -11.680 6.943 -9.782 1.00 63.05 C ATOM 447 CG ASP A 30 -12.454 5.632 -9.609 1.00 35.32 C ATOM 448 OD1 ASP A 30 -12.404 5.024 -8.512 1.00 22.12 O ATOM 449 OD2 ASP A 30 -13.100 5.182 -10.577 1.00 60.22 O ATOM 0 H ASP A 30 -10.057 8.391 -8.340 1.00 2.12 H new ATOM 0 HA ASP A 30 -10.122 5.619 -9.403 1.00 43.33 H new ATOM 0 HB2 ASP A 30 -12.039 7.685 -9.068 1.00 63.05 H new ATOM 0 HB3 ASP A 30 -11.854 7.349 -10.778 1.00 63.05 H new ATOM 453 N GLY A 31 -8.250 6.207 -10.970 1.00 71.11 N ATOM 454 CA GLY A 31 -7.285 6.330 -12.058 1.00 64.51 C ATOM 455 C GLY A 31 -6.116 7.204 -11.623 1.00 4.14 C ATOM 456 O GLY A 31 -5.825 8.226 -12.251 1.00 41.42 O ATOM 0 H GLY A 31 -8.056 5.413 -10.359 1.00 71.11 H new ATOM 0 HA2 GLY A 31 -6.924 5.343 -12.348 1.00 64.51 H new ATOM 0 HA3 GLY A 31 -7.767 6.763 -12.935 1.00 64.51 H new ATOM 460 N LYS A 32 -5.525 6.878 -10.476 1.00 22.32 N ATOM 461 CA LYS A 32 -4.395 7.568 -9.880 1.00 71.42 C ATOM 462 C LYS A 32 -3.609 6.521 -9.134 1.00 43.42 C ATOM 463 O LYS A 32 -3.972 6.159 -8.013 1.00 21.23 O ATOM 464 CB LYS A 32 -4.848 8.659 -8.911 1.00 4.32 C ATOM 465 CG LYS A 32 -5.131 10.038 -9.512 1.00 14.53 C ATOM 466 CD LYS A 32 -3.886 10.805 -9.996 1.00 35.31 C ATOM 467 CE LYS A 32 -3.347 10.351 -11.360 1.00 43.41 C ATOM 468 NZ LYS A 32 -3.024 11.484 -12.252 1.00 0.53 N ATOM 0 H LYS A 32 -5.840 6.087 -9.914 1.00 22.32 H new ATOM 0 HA LYS A 32 -3.801 8.058 -10.652 1.00 71.42 H new ATOM 0 HB2 LYS A 32 -5.752 8.314 -8.409 1.00 4.32 H new ATOM 0 HB3 LYS A 32 -4.082 8.773 -8.144 1.00 4.32 H new ATOM 0 HG2 LYS A 32 -5.815 9.918 -10.352 1.00 14.53 H new ATOM 0 HG3 LYS A 32 -5.646 10.644 -8.766 1.00 14.53 H new ATOM 0 HD2 LYS A 32 -4.128 11.867 -10.050 1.00 35.31 H new ATOM 0 HD3 LYS A 32 -3.096 10.695 -9.253 1.00 35.31 H new ATOM 0 HE2 LYS A 32 -2.453 9.746 -11.210 1.00 43.41 H new ATOM 0 HE3 LYS A 32 -4.086 9.712 -11.844 1.00 43.41 H new ATOM 0 HZ1 LYS A 32 -2.665 11.121 -13.158 1.00 0.53 H new ATOM 0 HZ2 LYS A 32 -3.881 12.048 -12.421 1.00 0.53 H new ATOM 0 HZ3 LYS A 32 -2.299 12.081 -11.806 1.00 0.53 H new ATOM 478 N GLU A 33 -2.566 6.029 -9.784 1.00 55.45 N ATOM 479 CA GLU A 33 -1.770 4.924 -9.312 1.00 55.43 C ATOM 480 C GLU A 33 -0.327 5.110 -9.761 1.00 73.12 C ATOM 481 O GLU A 33 -0.054 5.778 -10.760 1.00 0.20 O ATOM 482 CB GLU A 33 -2.368 3.596 -9.823 1.00 14.11 C ATOM 483 CG GLU A 33 -2.733 3.515 -11.318 1.00 51.44 C ATOM 484 CD GLU A 33 -4.012 4.279 -11.702 1.00 60.31 C ATOM 485 OE1 GLU A 33 -5.078 4.037 -11.090 1.00 15.23 O ATOM 486 OE2 GLU A 33 -3.947 5.128 -12.616 1.00 14.44 O ATOM 0 H GLU A 33 -2.247 6.403 -10.678 1.00 55.45 H new ATOM 0 HA GLU A 33 -1.779 4.892 -8.223 1.00 55.43 H new ATOM 0 HB2 GLU A 33 -1.656 2.800 -9.606 1.00 14.11 H new ATOM 0 HB3 GLU A 33 -3.267 3.386 -9.244 1.00 14.11 H new ATOM 0 HG2 GLU A 33 -1.901 3.905 -11.904 1.00 51.44 H new ATOM 0 HG3 GLU A 33 -2.853 2.467 -11.594 1.00 51.44 H new ATOM 491 N GLN A 34 0.578 4.467 -9.031 1.00 1.03 N ATOM 492 CA GLN A 34 2.004 4.311 -9.323 1.00 1.00 C ATOM 493 C GLN A 34 2.398 2.868 -8.975 1.00 75.44 C ATOM 494 O GLN A 34 1.506 2.025 -8.814 1.00 60.32 O ATOM 495 CB GLN A 34 2.842 5.430 -8.660 1.00 73.45 C ATOM 496 CG GLN A 34 2.951 5.434 -7.124 1.00 5.42 C ATOM 497 CD GLN A 34 4.022 4.481 -6.605 1.00 33.24 C ATOM 498 OE1 GLN A 34 3.711 3.436 -6.046 1.00 22.53 O ATOM 499 NE2 GLN A 34 5.285 4.788 -6.857 1.00 52.33 N ATOM 0 H GLN A 34 0.319 4.008 -8.158 1.00 1.03 H new ATOM 0 HA GLN A 34 2.222 4.447 -10.382 1.00 1.00 H new ATOM 0 HB2 GLN A 34 3.852 5.377 -9.067 1.00 73.45 H new ATOM 0 HB3 GLN A 34 2.424 6.388 -8.968 1.00 73.45 H new ATOM 0 HG2 GLN A 34 3.174 6.445 -6.783 1.00 5.42 H new ATOM 0 HG3 GLN A 34 1.987 5.159 -6.695 1.00 5.42 H new ATOM 0 HE21 GLN A 34 5.513 5.666 -7.324 1.00 52.33 H new ATOM 0 HE22 GLN A 34 6.030 4.147 -6.584 1.00 52.33 H new ATOM 506 N THR A 35 3.682 2.523 -8.942 1.00 65.55 N ATOM 507 CA THR A 35 4.113 1.246 -8.383 1.00 73.51 C ATOM 508 C THR A 35 5.454 1.434 -7.687 1.00 72.31 C ATOM 509 O THR A 35 6.232 2.313 -8.061 1.00 45.02 O ATOM 510 CB THR A 35 4.087 0.151 -9.474 1.00 63.43 C ATOM 511 OG1 THR A 35 4.766 -1.058 -9.174 1.00 51.01 O ATOM 512 CG2 THR A 35 4.510 0.625 -10.859 1.00 5.31 C ATOM 0 H THR A 35 4.440 3.108 -9.295 1.00 65.55 H new ATOM 0 HA THR A 35 3.423 0.894 -7.616 1.00 73.51 H new ATOM 0 HB THR A 35 3.022 -0.079 -9.485 1.00 63.43 H new ATOM 0 HG1 THR A 35 4.683 -1.676 -9.930 1.00 51.01 H new ATOM 0 HG21 THR A 35 4.461 -0.209 -11.559 1.00 5.31 H new ATOM 0 HG22 THR A 35 3.841 1.418 -11.192 1.00 5.31 H new ATOM 0 HG23 THR A 35 5.531 1.005 -10.818 1.00 5.31 H new ATOM 520 N VAL A 36 5.729 0.593 -6.692 1.00 12.40 N ATOM 521 CA VAL A 36 7.021 0.556 -6.032 1.00 5.03 C ATOM 522 C VAL A 36 7.894 -0.377 -6.860 1.00 23.31 C ATOM 523 O VAL A 36 7.407 -1.408 -7.337 1.00 24.22 O ATOM 524 CB VAL A 36 6.846 0.096 -4.570 1.00 64.11 C ATOM 525 CG1 VAL A 36 8.169 -0.262 -3.875 1.00 34.10 C ATOM 526 CG2 VAL A 36 6.136 1.196 -3.765 1.00 12.31 C ATOM 0 H VAL A 36 5.057 -0.081 -6.324 1.00 12.40 H new ATOM 0 HA VAL A 36 7.497 1.535 -5.976 1.00 5.03 H new ATOM 0 HB VAL A 36 6.248 -0.815 -4.603 1.00 64.11 H new ATOM 0 HG11 VAL A 36 7.968 -0.577 -2.851 1.00 34.10 H new ATOM 0 HG12 VAL A 36 8.656 -1.074 -4.415 1.00 34.10 H new ATOM 0 HG13 VAL A 36 8.823 0.610 -3.865 1.00 34.10 H new ATOM 0 HG21 VAL A 36 6.013 0.869 -2.732 1.00 12.31 H new ATOM 0 HG22 VAL A 36 6.733 2.107 -3.789 1.00 12.31 H new ATOM 0 HG23 VAL A 36 5.157 1.393 -4.202 1.00 12.31 H new ATOM 536 N ASN A 37 9.169 -0.006 -6.987 1.00 25.11 N ATOM 537 CA ASN A 37 10.249 -0.784 -7.569 1.00 65.15 C ATOM 538 C ASN A 37 10.273 -2.194 -6.986 1.00 30.31 C ATOM 539 O ASN A 37 9.725 -3.119 -7.583 1.00 71.34 O ATOM 540 CB ASN A 37 11.577 -0.040 -7.345 1.00 62.42 C ATOM 541 CG ASN A 37 12.802 -0.872 -7.687 1.00 13.41 C ATOM 542 OD1 ASN A 37 12.736 -1.788 -8.503 1.00 21.41 O ATOM 543 ND2 ASN A 37 13.931 -0.595 -7.060 1.00 52.21 N ATOM 0 H ASN A 37 9.489 0.907 -6.663 1.00 25.11 H new ATOM 0 HA ASN A 37 10.092 -0.894 -8.642 1.00 65.15 H new ATOM 0 HB2 ASN A 37 11.583 0.867 -7.950 1.00 62.42 H new ATOM 0 HB3 ASN A 37 11.639 0.272 -6.302 1.00 62.42 H new ATOM 0 HD21 ASN A 37 14.768 -1.146 -7.250 1.00 52.21 H new ATOM 0 HD22 ASN A 37 13.966 0.170 -6.386 1.00 52.21 H new ATOM 549 N THR A 38 10.904 -2.366 -5.829 1.00 2.03 N ATOM 550 CA THR A 38 11.053 -3.637 -5.160 1.00 65.55 C ATOM 551 C THR A 38 11.066 -3.337 -3.671 1.00 31.11 C ATOM 552 O THR A 38 11.663 -2.348 -3.248 1.00 33.54 O ATOM 553 CB THR A 38 12.346 -4.330 -5.629 1.00 62.33 C ATOM 554 OG1 THR A 38 12.358 -4.536 -7.032 1.00 11.22 O ATOM 555 CG2 THR A 38 12.559 -5.696 -4.977 1.00 2.43 C ATOM 0 H THR A 38 11.337 -1.594 -5.321 1.00 2.03 H new ATOM 0 HA THR A 38 10.239 -4.323 -5.392 1.00 65.55 H new ATOM 0 HB THR A 38 13.144 -3.650 -5.331 1.00 62.33 H new ATOM 0 HG1 THR A 38 12.474 -3.676 -7.488 1.00 11.22 H new ATOM 0 HG21 THR A 38 13.486 -6.135 -5.347 1.00 2.43 H new ATOM 0 HG22 THR A 38 12.620 -5.577 -3.895 1.00 2.43 H new ATOM 0 HG23 THR A 38 11.723 -6.351 -5.224 1.00 2.43 H new ATOM 563 N LEU A 39 10.404 -4.189 -2.896 1.00 41.44 N ATOM 564 CA LEU A 39 10.345 -4.130 -1.457 1.00 1.12 C ATOM 565 C LEU A 39 10.835 -5.479 -0.962 1.00 72.11 C ATOM 566 O LEU A 39 10.135 -6.489 -1.083 1.00 71.32 O ATOM 567 CB LEU A 39 8.930 -3.755 -0.988 1.00 52.15 C ATOM 568 CG LEU A 39 8.923 -2.761 0.176 1.00 43.45 C ATOM 569 CD1 LEU A 39 9.673 -1.456 -0.166 1.00 54.42 C ATOM 570 CD2 LEU A 39 7.464 -2.394 0.454 1.00 54.32 C ATOM 0 H LEU A 39 9.873 -4.971 -3.280 1.00 41.44 H new ATOM 0 HA LEU A 39 10.980 -3.349 -1.039 1.00 1.12 H new ATOM 0 HB2 LEU A 39 8.378 -3.328 -1.825 1.00 52.15 H new ATOM 0 HB3 LEU A 39 8.402 -4.660 -0.687 1.00 52.15 H new ATOM 0 HG LEU A 39 9.417 -3.226 1.029 1.00 43.45 H new ATOM 0 HD11 LEU A 39 9.641 -0.783 0.690 1.00 54.42 H new ATOM 0 HD12 LEU A 39 10.711 -1.685 -0.408 1.00 54.42 H new ATOM 0 HD13 LEU A 39 9.198 -0.977 -1.022 1.00 54.42 H new ATOM 0 HD21 LEU A 39 7.418 -1.685 1.280 1.00 54.32 H new ATOM 0 HD22 LEU A 39 7.026 -1.942 -0.436 1.00 54.32 H new ATOM 0 HD23 LEU A 39 6.906 -3.293 0.716 1.00 54.32 H new ATOM 581 N GLY A 40 12.077 -5.482 -0.492 1.00 51.02 N ATOM 582 CA GLY A 40 12.743 -6.637 0.075 1.00 72.22 C ATOM 583 C GLY A 40 12.095 -7.072 1.386 1.00 32.14 C ATOM 584 O GLY A 40 11.094 -6.507 1.835 1.00 12.22 O ATOM 0 H GLY A 40 12.664 -4.648 -0.498 1.00 51.02 H new ATOM 0 HA2 GLY A 40 12.713 -7.461 -0.638 1.00 72.22 H new ATOM 0 HA3 GLY A 40 13.794 -6.403 0.248 1.00 72.22 H new ATOM 588 N SER A 41 12.644 -8.103 2.016 1.00 30.31 N ATOM 589 CA SER A 41 12.122 -8.681 3.245 1.00 3.01 C ATOM 590 C SER A 41 11.989 -7.619 4.343 1.00 74.15 C ATOM 591 O SER A 41 13.007 -7.048 4.727 1.00 2.23 O ATOM 592 CB SER A 41 13.055 -9.834 3.657 1.00 10.12 C ATOM 593 OG SER A 41 14.430 -9.502 3.572 1.00 41.15 O ATOM 0 H SER A 41 13.485 -8.571 1.677 1.00 30.31 H new ATOM 0 HA SER A 41 11.117 -9.071 3.086 1.00 3.01 H new ATOM 0 HB2 SER A 41 12.823 -10.132 4.680 1.00 10.12 H new ATOM 0 HB3 SER A 41 12.857 -10.697 3.021 1.00 10.12 H new ATOM 0 HG SER A 41 14.567 -8.588 3.898 1.00 41.15 H new ATOM 598 N HIS A 42 10.771 -7.341 4.833 1.00 72.33 N ATOM 599 CA HIS A 42 10.477 -6.307 5.835 1.00 24.33 C ATOM 600 C HIS A 42 10.936 -4.902 5.422 1.00 70.22 C ATOM 601 O HIS A 42 11.081 -4.019 6.272 1.00 43.05 O ATOM 602 CB HIS A 42 10.918 -6.765 7.239 1.00 3.31 C ATOM 603 CG HIS A 42 9.919 -7.693 7.891 1.00 74.43 C ATOM 604 ND1 HIS A 42 9.286 -7.476 9.095 1.00 74.53 N ATOM 605 CD2 HIS A 42 9.433 -8.868 7.382 1.00 31.53 C ATOM 606 CE1 HIS A 42 8.451 -8.503 9.316 1.00 62.41 C ATOM 607 NE2 HIS A 42 8.486 -9.371 8.286 1.00 33.12 N ATOM 0 H HIS A 42 9.938 -7.846 4.533 1.00 72.33 H new ATOM 0 HA HIS A 42 9.395 -6.189 5.890 1.00 24.33 H new ATOM 0 HB2 HIS A 42 11.882 -7.269 7.166 1.00 3.31 H new ATOM 0 HB3 HIS A 42 11.063 -5.890 7.873 1.00 3.31 H new ATOM 0 HD2 HIS A 42 9.727 -9.326 6.449 1.00 31.53 H new ATOM 0 HE1 HIS A 42 7.837 -8.618 10.197 1.00 62.41 H new ATOM 0 HE2 HIS A 42 7.934 -10.223 8.184 1.00 33.12 H new ATOM 614 N ASP A 43 11.151 -4.659 4.126 1.00 31.10 N ATOM 615 CA ASP A 43 11.550 -3.345 3.640 1.00 23.12 C ATOM 616 C ASP A 43 10.378 -2.378 3.593 1.00 12.11 C ATOM 617 O ASP A 43 9.229 -2.743 3.855 1.00 41.15 O ATOM 618 CB ASP A 43 12.266 -3.427 2.291 1.00 31.53 C ATOM 619 CG ASP A 43 13.503 -2.551 2.287 1.00 25.32 C ATOM 620 OD1 ASP A 43 13.356 -1.315 2.294 1.00 74.53 O ATOM 621 OD2 ASP A 43 14.628 -3.104 2.338 1.00 71.11 O ATOM 0 H ASP A 43 11.053 -5.363 3.394 1.00 31.10 H new ATOM 0 HA ASP A 43 12.266 -2.948 4.359 1.00 23.12 H new ATOM 0 HB2 ASP A 43 12.545 -4.460 2.084 1.00 31.53 H new ATOM 0 HB3 ASP A 43 11.590 -3.114 1.495 1.00 31.53 H new ATOM 625 N SER A 44 10.672 -1.129 3.246 1.00 33.44 N ATOM 626 CA SER A 44 9.653 -0.088 3.116 1.00 10.14 C ATOM 627 C SER A 44 10.117 1.113 2.280 1.00 45.41 C ATOM 628 O SER A 44 11.309 1.273 2.026 1.00 14.33 O ATOM 629 CB SER A 44 9.163 0.335 4.509 1.00 64.53 C ATOM 630 OG SER A 44 10.238 0.731 5.343 1.00 22.54 O ATOM 0 H SER A 44 11.620 -0.809 3.047 1.00 33.44 H new ATOM 0 HA SER A 44 8.817 -0.513 2.561 1.00 10.14 H new ATOM 0 HB2 SER A 44 8.455 1.158 4.412 1.00 64.53 H new ATOM 0 HB3 SER A 44 8.627 -0.493 4.974 1.00 64.53 H new ATOM 0 HG SER A 44 9.891 0.995 6.221 1.00 22.54 H new ATOM 635 N ILE A 45 9.180 1.971 1.866 1.00 44.05 N ATOM 636 CA ILE A 45 9.437 3.209 1.131 1.00 74.34 C ATOM 637 C ILE A 45 8.289 4.185 1.407 1.00 54.12 C ATOM 638 O ILE A 45 7.143 3.738 1.491 1.00 63.12 O ATOM 639 CB ILE A 45 9.585 2.895 -0.377 1.00 51.42 C ATOM 640 CG1 ILE A 45 9.897 4.189 -1.146 1.00 42.12 C ATOM 641 CG2 ILE A 45 8.373 2.152 -0.981 1.00 31.22 C ATOM 642 CD1 ILE A 45 10.279 4.012 -2.614 1.00 41.24 C ATOM 0 H ILE A 45 8.187 1.815 2.041 1.00 44.05 H new ATOM 0 HA ILE A 45 10.368 3.672 1.458 1.00 74.34 H new ATOM 0 HB ILE A 45 10.419 2.201 -0.479 1.00 51.42 H new ATOM 0 HG12 ILE A 45 9.025 4.841 -1.093 1.00 42.12 H new ATOM 0 HG13 ILE A 45 10.712 4.705 -0.637 1.00 42.12 H new ATOM 0 HG21 ILE A 45 8.551 1.967 -2.040 1.00 31.22 H new ATOM 0 HG22 ILE A 45 8.235 1.202 -0.465 1.00 31.22 H new ATOM 0 HG23 ILE A 45 7.477 2.762 -0.864 1.00 31.22 H new ATOM 0 HD11 ILE A 45 10.478 4.987 -3.058 1.00 41.24 H new ATOM 0 HD12 ILE A 45 11.173 3.392 -2.685 1.00 41.24 H new ATOM 0 HD13 ILE A 45 9.460 3.530 -3.148 1.00 41.24 H new ATOM 653 N ASP A 46 8.564 5.493 1.496 1.00 74.24 N ATOM 654 CA ASP A 46 7.527 6.540 1.497 1.00 54.44 C ATOM 655 C ASP A 46 7.539 7.263 0.156 1.00 50.12 C ATOM 656 O ASP A 46 8.598 7.414 -0.455 1.00 64.14 O ATOM 657 CB ASP A 46 7.633 7.550 2.662 1.00 50.43 C ATOM 658 CG ASP A 46 8.679 8.667 2.488 1.00 70.12 C ATOM 659 OD1 ASP A 46 8.445 9.631 1.717 1.00 30.32 O ATOM 660 OD2 ASP A 46 9.726 8.594 3.177 1.00 30.11 O ATOM 0 H ASP A 46 9.513 5.858 1.570 1.00 74.24 H new ATOM 0 HA ASP A 46 6.576 6.031 1.652 1.00 54.44 H new ATOM 0 HB2 ASP A 46 6.657 8.012 2.807 1.00 50.43 H new ATOM 0 HB3 ASP A 46 7.864 7.000 3.574 1.00 50.43 H new ATOM 664 N PHE A 47 6.363 7.689 -0.306 1.00 50.02 N ATOM 665 CA PHE A 47 6.214 8.536 -1.487 1.00 42.43 C ATOM 666 C PHE A 47 4.939 9.377 -1.391 1.00 34.44 C ATOM 667 O PHE A 47 4.013 9.049 -0.645 1.00 2.52 O ATOM 668 CB PHE A 47 6.238 7.701 -2.779 1.00 5.42 C ATOM 669 CG PHE A 47 5.285 6.522 -2.811 1.00 70.11 C ATOM 670 CD1 PHE A 47 5.662 5.320 -2.184 1.00 13.14 C ATOM 671 CD2 PHE A 47 4.039 6.615 -3.463 1.00 3.01 C ATOM 672 CE1 PHE A 47 4.786 4.225 -2.171 1.00 51.24 C ATOM 673 CE2 PHE A 47 3.168 5.509 -3.470 1.00 31.13 C ATOM 674 CZ PHE A 47 3.539 4.327 -2.808 1.00 2.24 C ATOM 0 H PHE A 47 5.475 7.451 0.137 1.00 50.02 H new ATOM 0 HA PHE A 47 7.064 9.217 -1.524 1.00 42.43 H new ATOM 0 HB2 PHE A 47 6.006 8.356 -3.619 1.00 5.42 H new ATOM 0 HB3 PHE A 47 7.252 7.331 -2.933 1.00 5.42 H new ATOM 0 HD1 PHE A 47 6.630 5.240 -1.711 1.00 13.14 H new ATOM 0 HD2 PHE A 47 3.753 7.532 -3.956 1.00 3.01 H new ATOM 0 HE1 PHE A 47 5.069 3.309 -1.674 1.00 51.24 H new ATOM 0 HE2 PHE A 47 2.219 5.569 -3.982 1.00 31.13 H new ATOM 0 HZ PHE A 47 2.858 3.489 -2.789 1.00 2.24 H new ATOM 683 N SER A 48 4.862 10.480 -2.140 1.00 25.10 N ATOM 684 CA SER A 48 3.632 11.249 -2.258 1.00 44.43 C ATOM 685 C SER A 48 2.689 10.515 -3.198 1.00 24.32 C ATOM 686 O SER A 48 3.111 9.985 -4.229 1.00 41.43 O ATOM 687 CB SER A 48 3.917 12.650 -2.803 1.00 64.32 C ATOM 688 OG SER A 48 2.819 13.516 -2.574 1.00 33.13 O ATOM 0 H SER A 48 5.644 10.858 -2.674 1.00 25.10 H new ATOM 0 HA SER A 48 3.178 11.354 -1.272 1.00 44.43 H new ATOM 0 HB2 SER A 48 4.810 13.055 -2.327 1.00 64.32 H new ATOM 0 HB3 SER A 48 4.124 12.593 -3.872 1.00 64.32 H new ATOM 0 HG SER A 48 2.055 13.226 -3.115 1.00 33.13 H new ATOM 693 N SER A 49 1.406 10.582 -2.874 1.00 23.21 N ATOM 694 CA SER A 49 0.318 10.396 -3.805 1.00 1.32 C ATOM 695 C SER A 49 0.150 11.696 -4.598 1.00 40.21 C ATOM 696 O SER A 49 0.559 12.767 -4.145 1.00 15.34 O ATOM 697 CB SER A 49 -0.968 10.068 -3.027 1.00 42.35 C ATOM 698 OG SER A 49 -0.815 10.022 -1.619 1.00 71.15 O ATOM 0 H SER A 49 1.090 10.774 -1.923 1.00 23.21 H new ATOM 0 HA SER A 49 0.525 9.572 -4.488 1.00 1.32 H new ATOM 0 HB2 SER A 49 -1.724 10.814 -3.272 1.00 42.35 H new ATOM 0 HB3 SER A 49 -1.347 9.105 -3.369 1.00 42.35 H new ATOM 0 HG SER A 49 -1.595 9.584 -1.219 1.00 71.15 H new ATOM 703 N ASP A 50 -0.527 11.617 -5.740 1.00 15.52 N ATOM 704 CA ASP A 50 -0.949 12.762 -6.544 1.00 35.10 C ATOM 705 C ASP A 50 -2.370 13.121 -6.126 1.00 60.44 C ATOM 706 O ASP A 50 -3.330 12.862 -6.864 1.00 21.02 O ATOM 707 CB ASP A 50 -0.931 12.368 -8.017 1.00 33.20 C ATOM 708 CG ASP A 50 0.457 12.478 -8.630 1.00 42.55 C ATOM 709 OD1 ASP A 50 1.249 11.519 -8.494 1.00 5.31 O ATOM 710 OD2 ASP A 50 0.707 13.506 -9.299 1.00 21.13 O ATOM 0 H ASP A 50 -0.807 10.724 -6.146 1.00 15.52 H new ATOM 0 HA ASP A 50 -0.283 13.612 -6.395 1.00 35.10 H new ATOM 0 HB2 ASP A 50 -1.291 11.344 -8.121 1.00 33.20 H new ATOM 0 HB3 ASP A 50 -1.621 13.006 -8.569 1.00 33.20 H new ATOM 714 N ALA A 51 -2.536 13.549 -4.874 1.00 42.55 N ATOM 715 CA ALA A 51 -3.855 13.753 -4.304 1.00 4.13 C ATOM 716 C ALA A 51 -3.754 14.546 -3.004 1.00 31.20 C ATOM 717 O ALA A 51 -3.002 14.168 -2.099 1.00 21.12 O ATOM 718 CB ALA A 51 -4.488 12.378 -4.051 1.00 34.41 C ATOM 0 H ALA A 51 -1.766 13.760 -4.239 1.00 42.55 H new ATOM 0 HA ALA A 51 -4.477 14.324 -4.993 1.00 4.13 H new ATOM 0 HB1 ALA A 51 -5.482 12.508 -3.622 1.00 34.41 H new ATOM 0 HB2 ALA A 51 -4.568 11.835 -4.993 1.00 34.41 H new ATOM 0 HB3 ALA A 51 -3.865 11.813 -3.358 1.00 34.41 H new ATOM 724 N GLY A 52 -4.551 15.607 -2.884 1.00 35.43 N ATOM 725 CA GLY A 52 -4.709 16.339 -1.632 1.00 63.33 C ATOM 726 C GLY A 52 -5.651 15.616 -0.667 1.00 32.00 C ATOM 727 O GLY A 52 -5.589 15.853 0.538 1.00 63.14 O ATOM 0 H GLY A 52 -5.105 15.982 -3.654 1.00 35.43 H new ATOM 0 HA2 GLY A 52 -3.735 16.468 -1.161 1.00 63.33 H new ATOM 0 HA3 GLY A 52 -5.097 17.336 -1.840 1.00 63.33 H new ATOM 731 N SER A 53 -6.509 14.723 -1.169 1.00 33.34 N ATOM 732 CA SER A 53 -7.501 14.009 -0.378 1.00 75.31 C ATOM 733 C SER A 53 -7.684 12.602 -0.922 1.00 54.23 C ATOM 734 O SER A 53 -7.635 12.396 -2.142 1.00 2.53 O ATOM 735 CB SER A 53 -8.820 14.788 -0.399 1.00 14.31 C ATOM 736 OG SER A 53 -9.152 15.280 -1.698 1.00 32.10 O ATOM 0 H SER A 53 -6.529 14.475 -2.158 1.00 33.34 H new ATOM 0 HA SER A 53 -7.162 13.927 0.655 1.00 75.31 H new ATOM 0 HB2 SER A 53 -9.623 14.143 -0.044 1.00 14.31 H new ATOM 0 HB3 SER A 53 -8.753 15.625 0.295 1.00 14.31 H new ATOM 0 HG SER A 53 -10.001 15.767 -1.656 1.00 32.10 H new ATOM 741 N VAL A 54 -7.921 11.642 -0.030 1.00 54.53 N ATOM 742 CA VAL A 54 -8.048 10.228 -0.385 1.00 35.11 C ATOM 743 C VAL A 54 -9.053 9.546 0.555 1.00 13.32 C ATOM 744 O VAL A 54 -9.101 9.870 1.744 1.00 21.20 O ATOM 745 CB VAL A 54 -6.659 9.537 -0.349 1.00 74.33 C ATOM 746 CG1 VAL A 54 -6.729 8.027 -0.632 1.00 51.41 C ATOM 747 CG2 VAL A 54 -5.677 10.145 -1.366 1.00 32.03 C ATOM 0 H VAL A 54 -8.031 11.824 0.968 1.00 54.53 H new ATOM 0 HA VAL A 54 -8.428 10.139 -1.403 1.00 35.11 H new ATOM 0 HB VAL A 54 -6.304 9.703 0.668 1.00 74.33 H new ATOM 0 HG11 VAL A 54 -5.726 7.603 -0.592 1.00 51.41 H new ATOM 0 HG12 VAL A 54 -7.357 7.545 0.118 1.00 51.41 H new ATOM 0 HG13 VAL A 54 -7.154 7.862 -1.622 1.00 51.41 H new ATOM 0 HG21 VAL A 54 -4.720 9.627 -1.302 1.00 32.03 H new ATOM 0 HG22 VAL A 54 -6.082 10.036 -2.372 1.00 32.03 H new ATOM 0 HG23 VAL A 54 -5.533 11.203 -1.145 1.00 32.03 H new ATOM 757 N TYR A 55 -9.814 8.583 0.028 1.00 74.05 N ATOM 758 CA TYR A 55 -10.825 7.787 0.731 1.00 64.41 C ATOM 759 C TYR A 55 -10.860 6.311 0.284 1.00 54.21 C ATOM 760 O TYR A 55 -11.672 5.544 0.797 1.00 60.44 O ATOM 761 CB TYR A 55 -12.200 8.442 0.556 1.00 34.00 C ATOM 762 CG TYR A 55 -12.471 8.920 -0.862 1.00 74.24 C ATOM 763 CD1 TYR A 55 -12.443 8.006 -1.934 1.00 41.33 C ATOM 764 CD2 TYR A 55 -12.641 10.293 -1.120 1.00 61.13 C ATOM 765 CE1 TYR A 55 -12.467 8.465 -3.262 1.00 35.31 C ATOM 766 CE2 TYR A 55 -12.751 10.756 -2.443 1.00 31.03 C ATOM 767 CZ TYR A 55 -12.631 9.846 -3.519 1.00 1.22 C ATOM 768 OH TYR A 55 -12.643 10.295 -4.802 1.00 43.35 O ATOM 0 H TYR A 55 -9.737 8.323 -0.955 1.00 74.05 H new ATOM 0 HA TYR A 55 -10.550 7.771 1.786 1.00 64.41 H new ATOM 0 HB2 TYR A 55 -12.972 7.729 0.844 1.00 34.00 H new ATOM 0 HB3 TYR A 55 -12.279 9.289 1.237 1.00 34.00 H new ATOM 0 HD1 TYR A 55 -12.403 6.945 -1.734 1.00 41.33 H new ATOM 0 HD2 TYR A 55 -12.687 10.993 -0.299 1.00 61.13 H new ATOM 0 HE1 TYR A 55 -12.361 7.768 -4.080 1.00 35.31 H new ATOM 0 HE2 TYR A 55 -12.927 11.804 -2.637 1.00 31.03 H new ATOM 0 HH TYR A 55 -12.766 11.267 -4.807 1.00 43.35 H new ATOM 777 N LYS A 56 -10.009 5.885 -0.658 1.00 55.52 N ATOM 778 CA LYS A 56 -9.934 4.506 -1.166 1.00 21.14 C ATOM 779 C LYS A 56 -8.493 4.153 -1.501 1.00 55.25 C ATOM 780 O LYS A 56 -7.690 5.065 -1.713 1.00 73.12 O ATOM 781 CB LYS A 56 -10.874 4.293 -2.372 1.00 51.03 C ATOM 782 CG LYS A 56 -10.772 5.336 -3.505 1.00 42.05 C ATOM 783 CD LYS A 56 -10.000 4.996 -4.779 1.00 71.41 C ATOM 784 CE LYS A 56 -10.563 3.764 -5.504 1.00 72.33 C ATOM 785 NZ LYS A 56 -10.382 3.815 -6.973 1.00 60.34 N ATOM 0 H LYS A 56 -9.333 6.507 -1.102 1.00 55.52 H new ATOM 0 HA LYS A 56 -10.277 3.830 -0.383 1.00 21.14 H new ATOM 0 HB2 LYS A 56 -10.674 3.308 -2.793 1.00 51.03 H new ATOM 0 HB3 LYS A 56 -11.901 4.281 -2.008 1.00 51.03 H new ATOM 0 HG2 LYS A 56 -11.788 5.597 -3.800 1.00 42.05 H new ATOM 0 HG3 LYS A 56 -10.322 6.234 -3.082 1.00 42.05 H new ATOM 0 HD2 LYS A 56 -10.025 5.852 -5.453 1.00 71.41 H new ATOM 0 HD3 LYS A 56 -8.954 4.818 -4.528 1.00 71.41 H new ATOM 0 HE2 LYS A 56 -10.077 2.869 -5.116 1.00 72.33 H new ATOM 0 HE3 LYS A 56 -11.626 3.673 -5.279 1.00 72.33 H new ATOM 0 HZ1 LYS A 56 -10.172 2.861 -7.330 1.00 60.34 H new ATOM 0 HZ2 LYS A 56 -11.253 4.167 -7.418 1.00 60.34 H new ATOM 0 HZ3 LYS A 56 -9.593 4.453 -7.204 1.00 60.34 H new ATOM 795 N MET A 57 -8.175 2.861 -1.603 1.00 32.41 N ATOM 796 CA MET A 57 -6.890 2.371 -2.091 1.00 71.41 C ATOM 797 C MET A 57 -7.088 1.042 -2.795 1.00 34.32 C ATOM 798 O MET A 57 -7.844 0.192 -2.326 1.00 71.55 O ATOM 799 CB MET A 57 -5.895 2.197 -0.930 1.00 73.45 C ATOM 800 CG MET A 57 -4.552 1.590 -1.364 1.00 53.32 C ATOM 801 SD MET A 57 -3.105 2.149 -0.426 1.00 60.35 S ATOM 802 CE MET A 57 -2.781 3.678 -1.338 1.00 22.50 C ATOM 0 H MET A 57 -8.818 2.113 -1.343 1.00 32.41 H new ATOM 0 HA MET A 57 -6.482 3.102 -2.790 1.00 71.41 H new ATOM 0 HB2 MET A 57 -5.714 3.167 -0.467 1.00 73.45 H new ATOM 0 HB3 MET A 57 -6.344 1.560 -0.168 1.00 73.45 H new ATOM 0 HG2 MET A 57 -4.620 0.505 -1.282 1.00 53.32 H new ATOM 0 HG3 MET A 57 -4.392 1.821 -2.417 1.00 53.32 H new ATOM 0 HE1 MET A 57 -1.883 4.153 -0.944 1.00 22.50 H new ATOM 0 HE2 MET A 57 -2.637 3.448 -2.394 1.00 22.50 H new ATOM 0 HE3 MET A 57 -3.628 4.355 -1.226 1.00 22.50 H new ATOM 810 N ASP A 58 -6.327 0.821 -3.860 1.00 22.41 N ATOM 811 CA ASP A 58 -6.294 -0.428 -4.610 1.00 40.43 C ATOM 812 C ASP A 58 -4.847 -0.781 -4.875 1.00 14.01 C ATOM 813 O ASP A 58 -4.124 -0.069 -5.580 1.00 31.43 O ATOM 814 CB ASP A 58 -7.145 -0.306 -5.870 1.00 61.24 C ATOM 815 CG ASP A 58 -7.232 -1.573 -6.707 1.00 32.20 C ATOM 816 OD1 ASP A 58 -6.499 -2.539 -6.444 1.00 34.54 O ATOM 817 OD2 ASP A 58 -8.108 -1.572 -7.606 1.00 24.51 O ATOM 0 H ASP A 58 -5.696 1.528 -4.237 1.00 22.41 H new ATOM 0 HA ASP A 58 -6.732 -1.249 -4.042 1.00 40.43 H new ATOM 0 HB2 ASP A 58 -8.153 -0.007 -5.583 1.00 61.24 H new ATOM 0 HB3 ASP A 58 -6.740 0.494 -6.489 1.00 61.24 H new ATOM 821 N VAL A 59 -4.398 -1.807 -4.175 1.00 63.23 N ATOM 822 CA VAL A 59 -3.092 -2.398 -4.373 1.00 74.22 C ATOM 823 C VAL A 59 -3.331 -3.628 -5.260 1.00 11.12 C ATOM 824 O VAL A 59 -4.333 -4.330 -5.102 1.00 35.54 O ATOM 825 CB VAL A 59 -2.461 -2.840 -3.039 1.00 55.12 C ATOM 826 CG1 VAL A 59 -2.630 -1.882 -1.861 1.00 42.31 C ATOM 827 CG2 VAL A 59 -2.769 -4.253 -2.586 1.00 23.32 C ATOM 0 H VAL A 59 -4.942 -2.259 -3.440 1.00 63.23 H new ATOM 0 HA VAL A 59 -2.406 -1.679 -4.822 1.00 74.22 H new ATOM 0 HB VAL A 59 -1.412 -2.813 -3.335 1.00 55.12 H new ATOM 0 HG11 VAL A 59 -2.145 -2.301 -0.979 1.00 42.31 H new ATOM 0 HG12 VAL A 59 -2.175 -0.922 -2.104 1.00 42.31 H new ATOM 0 HG13 VAL A 59 -3.691 -1.739 -1.658 1.00 42.31 H new ATOM 0 HG21 VAL A 59 -2.270 -4.448 -1.637 1.00 23.32 H new ATOM 0 HG22 VAL A 59 -3.846 -4.368 -2.461 1.00 23.32 H new ATOM 0 HG23 VAL A 59 -2.413 -4.961 -3.335 1.00 23.32 H new ATOM 837 N THR A 60 -2.372 -3.960 -6.117 1.00 53.41 N ATOM 838 CA THR A 60 -2.436 -5.119 -6.995 1.00 71.21 C ATOM 839 C THR A 60 -0.980 -5.431 -7.348 1.00 72.15 C ATOM 840 O THR A 60 -0.347 -4.724 -8.136 1.00 22.31 O ATOM 841 CB THR A 60 -3.411 -4.871 -8.179 1.00 75.31 C ATOM 842 OG1 THR A 60 -3.001 -5.480 -9.391 1.00 52.34 O ATOM 843 CG2 THR A 60 -3.720 -3.397 -8.414 1.00 32.43 C ATOM 0 H THR A 60 -1.513 -3.420 -6.222 1.00 53.41 H new ATOM 0 HA THR A 60 -2.870 -6.007 -6.535 1.00 71.21 H new ATOM 0 HB THR A 60 -4.332 -5.358 -7.860 1.00 75.31 H new ATOM 0 HG1 THR A 60 -3.657 -5.287 -10.093 1.00 52.34 H new ATOM 0 HG21 THR A 60 -4.406 -3.299 -9.255 1.00 32.43 H new ATOM 0 HG22 THR A 60 -4.179 -2.974 -7.520 1.00 32.43 H new ATOM 0 HG23 THR A 60 -2.796 -2.862 -8.635 1.00 32.43 H new ATOM 851 N GLY A 61 -0.406 -6.437 -6.696 1.00 41.15 N ATOM 852 CA GLY A 61 1.028 -6.707 -6.777 1.00 33.32 C ATOM 853 C GLY A 61 1.321 -8.202 -6.818 1.00 53.41 C ATOM 854 O GLY A 61 0.387 -8.993 -6.728 1.00 72.23 O ATOM 0 H GLY A 61 -0.918 -7.086 -6.099 1.00 41.15 H new ATOM 0 HA2 GLY A 61 1.438 -6.232 -7.668 1.00 33.32 H new ATOM 0 HA3 GLY A 61 1.531 -6.261 -5.919 1.00 33.32 H new ATOM 858 N THR A 62 2.595 -8.601 -6.954 1.00 71.51 N ATOM 859 CA THR A 62 2.994 -10.014 -6.995 1.00 53.13 C ATOM 860 C THR A 62 4.289 -10.263 -6.206 1.00 71.42 C ATOM 861 O THR A 62 5.211 -9.438 -6.247 1.00 60.25 O ATOM 862 CB THR A 62 3.136 -10.510 -8.448 1.00 41.23 C ATOM 863 OG1 THR A 62 2.138 -9.959 -9.295 1.00 21.12 O ATOM 864 CG2 THR A 62 3.036 -12.040 -8.526 1.00 74.41 C ATOM 0 H THR A 62 3.377 -7.952 -7.039 1.00 71.51 H new ATOM 0 HA THR A 62 2.200 -10.586 -6.515 1.00 53.13 H new ATOM 0 HB THR A 62 4.119 -10.182 -8.785 1.00 41.23 H new ATOM 0 HG1 THR A 62 2.261 -10.295 -10.207 1.00 21.12 H new ATOM 0 HG21 THR A 62 3.140 -12.359 -9.563 1.00 74.41 H new ATOM 0 HG22 THR A 62 3.830 -12.487 -7.928 1.00 74.41 H new ATOM 0 HG23 THR A 62 2.067 -12.361 -8.143 1.00 74.41 H new ATOM 872 N THR A 63 4.356 -11.386 -5.492 1.00 61.54 N ATOM 873 CA THR A 63 5.489 -11.841 -4.695 1.00 24.42 C ATOM 874 C THR A 63 6.576 -12.483 -5.549 1.00 52.13 C ATOM 875 O THR A 63 6.454 -12.600 -6.775 1.00 43.24 O ATOM 876 CB THR A 63 4.993 -12.770 -3.575 1.00 15.23 C ATOM 877 OG1 THR A 63 4.751 -14.053 -4.094 1.00 4.11 O ATOM 878 CG2 THR A 63 3.724 -12.290 -2.860 1.00 33.42 C ATOM 0 H THR A 63 3.574 -12.039 -5.454 1.00 61.54 H new ATOM 0 HA THR A 63 5.960 -10.972 -4.234 1.00 24.42 H new ATOM 0 HB THR A 63 5.790 -12.775 -2.831 1.00 15.23 H new ATOM 0 HG1 THR A 63 4.719 -14.702 -3.360 1.00 4.11 H new ATOM 0 HG21 THR A 63 3.449 -13.007 -2.087 1.00 33.42 H new ATOM 0 HG22 THR A 63 3.909 -11.318 -2.404 1.00 33.42 H new ATOM 0 HG23 THR A 63 2.911 -12.204 -3.581 1.00 33.42 H new ATOM 886 N GLN A 64 7.658 -12.889 -4.887 1.00 4.42 N ATOM 887 CA GLN A 64 8.691 -13.745 -5.431 1.00 32.41 C ATOM 888 C GLN A 64 8.058 -15.001 -6.036 1.00 1.02 C ATOM 889 O GLN A 64 8.321 -15.304 -7.196 1.00 5.43 O ATOM 890 CB GLN A 64 9.710 -14.057 -4.344 1.00 64.55 C ATOM 891 CG GLN A 64 11.007 -14.505 -5.017 1.00 64.52 C ATOM 892 CD GLN A 64 11.856 -15.279 -4.039 1.00 32.32 C ATOM 893 OE1 GLN A 64 12.957 -14.872 -3.678 1.00 70.12 O ATOM 894 NE2 GLN A 64 11.376 -16.416 -3.592 1.00 53.42 N ATOM 0 H GLN A 64 7.839 -12.616 -3.921 1.00 4.42 H new ATOM 0 HA GLN A 64 9.223 -13.241 -6.238 1.00 32.41 H new ATOM 0 HB2 GLN A 64 9.887 -13.177 -3.726 1.00 64.55 H new ATOM 0 HB3 GLN A 64 9.334 -14.839 -3.685 1.00 64.55 H new ATOM 0 HG2 GLN A 64 10.781 -15.125 -5.885 1.00 64.52 H new ATOM 0 HG3 GLN A 64 11.557 -13.637 -5.380 1.00 64.52 H new ATOM 0 HE21 GLN A 64 10.460 -16.740 -3.902 1.00 53.42 H new ATOM 0 HE22 GLN A 64 11.919 -16.976 -2.935 1.00 53.42 H new ATOM 901 N SER A 65 7.166 -15.653 -5.291 1.00 33.50 N ATOM 902 CA SER A 65 6.514 -16.914 -5.645 1.00 75.21 C ATOM 903 C SER A 65 5.503 -16.777 -6.790 1.00 12.23 C ATOM 904 O SER A 65 4.904 -17.776 -7.188 1.00 75.25 O ATOM 905 CB SER A 65 5.804 -17.488 -4.409 1.00 2.34 C ATOM 906 OG SER A 65 6.728 -18.099 -3.525 1.00 41.41 O ATOM 0 H SER A 65 6.864 -15.301 -4.383 1.00 33.50 H new ATOM 0 HA SER A 65 7.299 -17.585 -5.993 1.00 75.21 H new ATOM 0 HB2 SER A 65 5.272 -16.691 -3.889 1.00 2.34 H new ATOM 0 HB3 SER A 65 5.058 -18.219 -4.721 1.00 2.34 H new ATOM 0 HG SER A 65 6.250 -18.454 -2.747 1.00 41.41 H new ATOM 911 N GLY A 66 5.278 -15.573 -7.325 1.00 22.30 N ATOM 912 CA GLY A 66 4.224 -15.361 -8.306 1.00 61.33 C ATOM 913 C GLY A 66 2.858 -15.218 -7.639 1.00 60.41 C ATOM 914 O GLY A 66 1.848 -15.144 -8.335 1.00 71.12 O ATOM 0 H GLY A 66 5.813 -14.736 -7.092 1.00 22.30 H new ATOM 0 HA2 GLY A 66 4.442 -14.465 -8.887 1.00 61.33 H new ATOM 0 HA3 GLY A 66 4.203 -16.197 -9.005 1.00 61.33 H new ATOM 918 N GLU A 67 2.804 -15.159 -6.301 1.00 55.44 N ATOM 919 CA GLU A 67 1.553 -14.951 -5.597 1.00 53.32 C ATOM 920 C GLU A 67 1.124 -13.516 -5.828 1.00 75.21 C ATOM 921 O GLU A 67 1.779 -12.558 -5.426 1.00 24.23 O ATOM 922 CB GLU A 67 1.651 -15.326 -4.111 1.00 20.22 C ATOM 923 CG GLU A 67 1.499 -16.833 -3.911 1.00 61.52 C ATOM 924 CD GLU A 67 1.894 -17.259 -2.500 1.00 31.12 C ATOM 925 OE1 GLU A 67 3.115 -17.263 -2.204 1.00 61.15 O ATOM 926 OE2 GLU A 67 1.001 -17.599 -1.694 1.00 24.12 O ATOM 0 H GLU A 67 3.618 -15.254 -5.694 1.00 55.44 H new ATOM 0 HA GLU A 67 0.786 -15.618 -5.990 1.00 53.32 H new ATOM 0 HB2 GLU A 67 2.612 -14.999 -3.713 1.00 20.22 H new ATOM 0 HB3 GLU A 67 0.878 -14.802 -3.549 1.00 20.22 H new ATOM 0 HG2 GLU A 67 0.466 -17.123 -4.103 1.00 61.52 H new ATOM 0 HG3 GLU A 67 2.118 -17.360 -4.637 1.00 61.52 H new ATOM 931 N LYS A 68 0.077 -13.364 -6.619 1.00 3.21 N ATOM 932 CA LYS A 68 -0.531 -12.102 -6.950 1.00 52.04 C ATOM 933 C LYS A 68 -1.608 -11.829 -5.928 1.00 62.43 C ATOM 934 O LYS A 68 -2.529 -12.631 -5.780 1.00 35.53 O ATOM 935 CB LYS A 68 -1.067 -12.122 -8.375 1.00 22.14 C ATOM 936 CG LYS A 68 -1.852 -10.837 -8.632 1.00 75.23 C ATOM 937 CD LYS A 68 -1.872 -10.530 -10.120 1.00 15.41 C ATOM 938 CE LYS A 68 -2.599 -9.209 -10.390 1.00 33.24 C ATOM 939 NZ LYS A 68 -1.934 -8.062 -9.737 1.00 20.53 N ATOM 0 H LYS A 68 -0.388 -14.155 -7.064 1.00 3.21 H new ATOM 0 HA LYS A 68 0.201 -11.295 -6.917 1.00 52.04 H new ATOM 0 HB2 LYS A 68 -0.244 -12.208 -9.085 1.00 22.14 H new ATOM 0 HB3 LYS A 68 -1.709 -12.991 -8.523 1.00 22.14 H new ATOM 0 HG2 LYS A 68 -2.871 -10.943 -8.260 1.00 75.23 H new ATOM 0 HG3 LYS A 68 -1.399 -10.009 -8.087 1.00 75.23 H new ATOM 0 HD2 LYS A 68 -0.851 -10.473 -10.499 1.00 15.41 H new ATOM 0 HD3 LYS A 68 -2.367 -11.339 -10.657 1.00 15.41 H new ATOM 0 HE2 LYS A 68 -2.646 -9.035 -11.465 1.00 33.24 H new ATOM 0 HE3 LYS A 68 -3.626 -9.282 -10.033 1.00 33.24 H new ATOM 0 HZ1 LYS A 68 -2.488 -7.198 -9.905 1.00 20.53 H new ATOM 0 HZ2 LYS A 68 -1.866 -8.237 -8.714 1.00 20.53 H new ATOM 0 HZ3 LYS A 68 -0.979 -7.943 -10.132 1.00 20.53 H new ATOM 949 N PHE A 69 -1.484 -10.686 -5.279 1.00 2.24 N ATOM 950 CA PHE A 69 -2.335 -10.231 -4.205 1.00 43.14 C ATOM 951 C PHE A 69 -3.056 -8.970 -4.668 1.00 51.04 C ATOM 952 O PHE A 69 -2.544 -8.212 -5.508 1.00 51.22 O ATOM 953 CB PHE A 69 -1.459 -9.974 -2.972 1.00 54.22 C ATOM 954 CG PHE A 69 -0.248 -9.076 -3.209 1.00 43.11 C ATOM 955 CD1 PHE A 69 0.987 -9.638 -3.592 1.00 22.41 C ATOM 956 CD2 PHE A 69 -0.345 -7.681 -3.044 1.00 72.43 C ATOM 957 CE1 PHE A 69 2.121 -8.821 -3.754 1.00 31.11 C ATOM 958 CE2 PHE A 69 0.793 -6.870 -3.211 1.00 34.13 C ATOM 959 CZ PHE A 69 2.038 -7.439 -3.523 1.00 12.34 C ATOM 0 H PHE A 69 -0.746 -10.018 -5.502 1.00 2.24 H new ATOM 0 HA PHE A 69 -3.087 -10.974 -3.938 1.00 43.14 H new ATOM 0 HB2 PHE A 69 -2.077 -9.525 -2.195 1.00 54.22 H new ATOM 0 HB3 PHE A 69 -1.110 -10.933 -2.588 1.00 54.22 H new ATOM 0 HD1 PHE A 69 1.063 -10.702 -3.762 1.00 22.41 H new ATOM 0 HD2 PHE A 69 -1.294 -7.233 -2.789 1.00 72.43 H new ATOM 0 HE1 PHE A 69 3.060 -9.259 -4.058 1.00 31.11 H new ATOM 0 HE2 PHE A 69 0.708 -5.799 -3.098 1.00 34.13 H new ATOM 0 HZ PHE A 69 2.921 -6.821 -3.585 1.00 12.34 H new ATOM 968 N THR A 70 -4.208 -8.708 -4.066 1.00 15.42 N ATOM 969 CA THR A 70 -4.973 -7.485 -4.217 1.00 40.12 C ATOM 970 C THR A 70 -5.475 -7.047 -2.847 1.00 31.41 C ATOM 971 O THR A 70 -5.645 -7.884 -1.966 1.00 60.22 O ATOM 972 CB THR A 70 -6.150 -7.702 -5.176 1.00 35.34 C ATOM 973 OG1 THR A 70 -6.896 -8.867 -4.851 1.00 44.45 O ATOM 974 CG2 THR A 70 -5.702 -7.807 -6.631 1.00 21.44 C ATOM 0 H THR A 70 -4.651 -9.373 -3.432 1.00 15.42 H new ATOM 0 HA THR A 70 -4.337 -6.707 -4.639 1.00 40.12 H new ATOM 0 HB THR A 70 -6.782 -6.822 -5.059 1.00 35.34 H new ATOM 0 HG1 THR A 70 -7.637 -8.968 -5.484 1.00 44.45 H new ATOM 0 HG21 THR A 70 -6.572 -7.960 -7.269 1.00 21.44 H new ATOM 0 HG22 THR A 70 -5.195 -6.887 -6.923 1.00 21.44 H new ATOM 0 HG23 THR A 70 -5.018 -8.649 -6.741 1.00 21.44 H new ATOM 982 N GLY A 71 -5.736 -5.753 -2.676 1.00 62.51 N ATOM 983 CA GLY A 71 -6.256 -5.216 -1.423 1.00 24.23 C ATOM 984 C GLY A 71 -7.729 -4.868 -1.626 1.00 14.24 C ATOM 985 O GLY A 71 -8.620 -5.647 -1.285 1.00 61.31 O ATOM 0 H GLY A 71 -5.593 -5.050 -3.401 1.00 62.51 H new ATOM 0 HA2 GLY A 71 -6.145 -5.947 -0.622 1.00 24.23 H new ATOM 0 HA3 GLY A 71 -5.694 -4.330 -1.127 1.00 24.23 H new ATOM 989 N HIS A 72 -7.949 -3.734 -2.295 1.00 61.54 N ATOM 990 CA HIS A 72 -9.205 -3.016 -2.503 1.00 24.31 C ATOM 991 C HIS A 72 -9.818 -2.603 -1.157 1.00 55.03 C ATOM 992 O HIS A 72 -10.343 -3.438 -0.419 1.00 73.54 O ATOM 993 CB HIS A 72 -10.198 -3.789 -3.385 1.00 0.24 C ATOM 994 CG HIS A 72 -9.634 -4.315 -4.681 1.00 63.25 C ATOM 995 ND1 HIS A 72 -9.559 -3.635 -5.875 1.00 73.33 N ATOM 996 CD2 HIS A 72 -9.100 -5.558 -4.882 1.00 2.02 C ATOM 997 CE1 HIS A 72 -8.947 -4.439 -6.761 1.00 42.34 C ATOM 998 NE2 HIS A 72 -8.699 -5.641 -6.219 1.00 64.44 N ATOM 0 H HIS A 72 -7.174 -3.249 -2.749 1.00 61.54 H new ATOM 0 HA HIS A 72 -8.972 -2.108 -3.060 1.00 24.31 H new ATOM 0 HB2 HIS A 72 -10.591 -4.629 -2.811 1.00 0.24 H new ATOM 0 HB3 HIS A 72 -11.041 -3.136 -3.613 1.00 0.24 H new ATOM 0 HD2 HIS A 72 -9.005 -6.337 -4.140 1.00 2.02 H new ATOM 0 HE1 HIS A 72 -8.690 -4.156 -7.771 1.00 42.34 H new ATOM 0 HE2 HIS A 72 -8.298 -6.453 -6.688 1.00 64.44 H new ATOM 1005 N PHE A 73 -9.745 -1.310 -0.836 1.00 35.12 N ATOM 1006 CA PHE A 73 -10.237 -0.725 0.404 1.00 34.50 C ATOM 1007 C PHE A 73 -11.062 0.505 0.075 1.00 61.22 C ATOM 1008 O PHE A 73 -10.658 1.319 -0.765 1.00 2.03 O ATOM 1009 CB PHE A 73 -9.074 -0.322 1.308 1.00 51.04 C ATOM 1010 CG PHE A 73 -8.204 -1.479 1.719 1.00 32.34 C ATOM 1011 CD1 PHE A 73 -8.633 -2.396 2.691 1.00 1.11 C ATOM 1012 CD2 PHE A 73 -6.957 -1.635 1.107 1.00 43.33 C ATOM 1013 CE1 PHE A 73 -7.799 -3.472 3.034 1.00 12.31 C ATOM 1014 CE2 PHE A 73 -6.157 -2.750 1.392 1.00 71.23 C ATOM 1015 CZ PHE A 73 -6.584 -3.666 2.361 1.00 40.33 C ATOM 0 H PHE A 73 -9.325 -0.619 -1.458 1.00 35.12 H new ATOM 0 HA PHE A 73 -10.846 -1.463 0.926 1.00 34.50 H new ATOM 0 HB2 PHE A 73 -8.462 0.417 0.791 1.00 51.04 H new ATOM 0 HB3 PHE A 73 -9.469 0.160 2.202 1.00 51.04 H new ATOM 0 HD1 PHE A 73 -9.594 -2.275 3.170 1.00 1.11 H new ATOM 0 HD2 PHE A 73 -6.607 -0.890 0.408 1.00 43.33 H new ATOM 0 HE1 PHE A 73 -8.094 -4.153 3.819 1.00 12.31 H new ATOM 0 HE2 PHE A 73 -5.223 -2.901 0.871 1.00 71.23 H new ATOM 0 HZ PHE A 73 -5.974 -4.527 2.592 1.00 40.33 H new ATOM 1024 N LYS A 74 -12.184 0.640 0.771 1.00 24.34 N ATOM 1025 CA LYS A 74 -13.067 1.792 0.786 1.00 32.43 C ATOM 1026 C LYS A 74 -13.003 2.430 2.170 1.00 31.32 C ATOM 1027 O LYS A 74 -12.450 1.849 3.111 1.00 11.11 O ATOM 1028 CB LYS A 74 -14.507 1.344 0.486 1.00 15.30 C ATOM 1029 CG LYS A 74 -14.782 1.045 -0.986 1.00 4.30 C ATOM 1030 CD LYS A 74 -14.327 -0.339 -1.441 1.00 3.12 C ATOM 1031 CE LYS A 74 -15.118 -0.678 -2.707 1.00 72.42 C ATOM 1032 NZ LYS A 74 -14.656 -1.908 -3.370 1.00 4.34 N ATOM 0 H LYS A 74 -12.521 -0.105 1.380 1.00 24.34 H new ATOM 0 HA LYS A 74 -12.758 2.512 0.028 1.00 32.43 H new ATOM 0 HB2 LYS A 74 -14.726 0.452 1.072 1.00 15.30 H new ATOM 0 HB3 LYS A 74 -15.193 2.122 0.820 1.00 15.30 H new ATOM 0 HG2 LYS A 74 -15.852 1.142 -1.171 1.00 4.30 H new ATOM 0 HG3 LYS A 74 -14.284 1.798 -1.597 1.00 4.30 H new ATOM 0 HD2 LYS A 74 -13.256 -0.346 -1.643 1.00 3.12 H new ATOM 0 HD3 LYS A 74 -14.509 -1.080 -0.663 1.00 3.12 H new ATOM 0 HE2 LYS A 74 -16.172 -0.786 -2.451 1.00 72.42 H new ATOM 0 HE3 LYS A 74 -15.044 0.154 -3.407 1.00 72.42 H new ATOM 0 HZ1 LYS A 74 -15.231 -2.082 -4.219 1.00 4.34 H new ATOM 0 HZ2 LYS A 74 -13.658 -1.801 -3.643 1.00 4.34 H new ATOM 0 HZ3 LYS A 74 -14.752 -2.711 -2.717 1.00 4.34 H new ATOM 1042 N GLY A 75 -13.609 3.612 2.278 1.00 64.43 N ATOM 1043 CA GLY A 75 -13.772 4.379 3.500 1.00 32.40 C ATOM 1044 C GLY A 75 -12.504 4.481 4.319 1.00 4.21 C ATOM 1045 O GLY A 75 -12.472 4.157 5.504 1.00 4.13 O ATOM 0 H GLY A 75 -14.019 4.080 1.470 1.00 64.43 H new ATOM 0 HA2 GLY A 75 -14.114 5.383 3.247 1.00 32.40 H new ATOM 0 HA3 GLY A 75 -14.552 3.920 4.107 1.00 32.40 H new ATOM 1049 N LEU A 76 -11.449 4.923 3.652 1.00 71.35 N ATOM 1050 CA LEU A 76 -10.177 5.226 4.267 1.00 31.41 C ATOM 1051 C LEU A 76 -10.367 6.512 5.050 1.00 20.00 C ATOM 1052 O LEU A 76 -10.934 7.472 4.523 1.00 32.34 O ATOM 1053 CB LEU A 76 -9.130 5.471 3.182 1.00 44.31 C ATOM 1054 CG LEU A 76 -8.601 4.246 2.423 1.00 62.32 C ATOM 1055 CD1 LEU A 76 -7.367 3.640 3.093 1.00 0.14 C ATOM 1056 CD2 LEU A 76 -9.577 3.107 2.151 1.00 31.40 C ATOM 0 H LEU A 76 -11.459 5.083 2.645 1.00 71.35 H new ATOM 0 HA LEU A 76 -9.848 4.405 4.904 1.00 31.41 H new ATOM 0 HB2 LEU A 76 -9.555 6.161 2.453 1.00 44.31 H new ATOM 0 HB3 LEU A 76 -8.280 5.976 3.641 1.00 44.31 H new ATOM 0 HG LEU A 76 -8.372 4.690 1.454 1.00 62.32 H new ATOM 0 HD11 LEU A 76 -7.029 2.776 2.520 1.00 0.14 H new ATOM 0 HD12 LEU A 76 -6.571 4.384 3.131 1.00 0.14 H new ATOM 0 HD13 LEU A 76 -7.620 3.327 4.106 1.00 0.14 H new ATOM 0 HD21 LEU A 76 -9.066 2.312 1.609 1.00 31.40 H new ATOM 0 HD22 LEU A 76 -9.954 2.717 3.097 1.00 31.40 H new ATOM 0 HD23 LEU A 76 -10.410 3.477 1.553 1.00 31.40 H new ATOM 1067 N VAL A 77 -9.814 6.565 6.255 1.00 64.14 N ATOM 1068 CA VAL A 77 -9.730 7.797 7.029 1.00 15.53 C ATOM 1069 C VAL A 77 -8.276 8.190 7.205 1.00 62.43 C ATOM 1070 O VAL A 77 -7.370 7.358 7.053 1.00 2.31 O ATOM 1071 CB VAL A 77 -10.459 7.666 8.378 1.00 0.14 C ATOM 1072 CG1 VAL A 77 -11.939 7.405 8.115 1.00 23.42 C ATOM 1073 CG2 VAL A 77 -9.860 6.589 9.293 1.00 4.24 C ATOM 0 H VAL A 77 -9.411 5.754 6.724 1.00 64.14 H new ATOM 0 HA VAL A 77 -10.236 8.592 6.482 1.00 15.53 H new ATOM 0 HB VAL A 77 -10.333 8.605 8.918 1.00 0.14 H new ATOM 0 HG11 VAL A 77 -12.466 7.310 9.064 1.00 23.42 H new ATOM 0 HG12 VAL A 77 -12.360 8.235 7.548 1.00 23.42 H new ATOM 0 HG13 VAL A 77 -12.050 6.483 7.545 1.00 23.42 H new ATOM 0 HG21 VAL A 77 -10.422 6.551 10.226 1.00 4.24 H new ATOM 0 HG22 VAL A 77 -9.913 5.620 8.797 1.00 4.24 H new ATOM 0 HG23 VAL A 77 -8.819 6.831 9.506 1.00 4.24 H new ATOM 1083 N GLY A 78 -8.064 9.455 7.561 1.00 22.21 N ATOM 1084 CA GLY A 78 -6.751 9.989 7.835 1.00 60.14 C ATOM 1085 C GLY A 78 -6.125 10.549 6.559 1.00 64.45 C ATOM 1086 O GLY A 78 -6.259 9.984 5.471 1.00 63.32 O ATOM 0 H GLY A 78 -8.814 10.138 7.666 1.00 22.21 H new ATOM 0 HA2 GLY A 78 -6.821 10.774 8.588 1.00 60.14 H new ATOM 0 HA3 GLY A 78 -6.113 9.208 8.248 1.00 60.14 H new ATOM 1090 N LYS A 79 -5.427 11.680 6.677 1.00 31.40 N ATOM 1091 CA LYS A 79 -4.747 12.390 5.590 1.00 1.54 C ATOM 1092 C LYS A 79 -3.399 11.744 5.254 1.00 1.31 C ATOM 1093 O LYS A 79 -2.519 12.379 4.672 1.00 21.10 O ATOM 1094 CB LYS A 79 -4.590 13.873 5.977 1.00 33.31 C ATOM 1095 CG LYS A 79 -4.707 14.793 4.750 1.00 14.23 C ATOM 1096 CD LYS A 79 -4.611 16.277 5.139 1.00 51.53 C ATOM 1097 CE LYS A 79 -3.181 16.665 5.534 1.00 13.21 C ATOM 1098 NZ LYS A 79 -3.133 17.988 6.186 1.00 55.23 N ATOM 0 H LYS A 79 -5.315 12.149 7.576 1.00 31.40 H new ATOM 0 HA LYS A 79 -5.352 12.324 4.686 1.00 1.54 H new ATOM 0 HB2 LYS A 79 -5.352 14.142 6.708 1.00 33.31 H new ATOM 0 HB3 LYS A 79 -3.622 14.024 6.455 1.00 33.31 H new ATOM 0 HG2 LYS A 79 -3.918 14.552 4.038 1.00 14.23 H new ATOM 0 HG3 LYS A 79 -5.657 14.610 4.247 1.00 14.23 H new ATOM 0 HD2 LYS A 79 -4.939 16.895 4.303 1.00 51.53 H new ATOM 0 HD3 LYS A 79 -5.287 16.481 5.970 1.00 51.53 H new ATOM 0 HE2 LYS A 79 -2.773 15.912 6.209 1.00 13.21 H new ATOM 0 HE3 LYS A 79 -2.548 16.674 4.646 1.00 13.21 H new ATOM 0 HZ1 LYS A 79 -2.150 18.215 6.438 1.00 55.23 H new ATOM 0 HZ2 LYS A 79 -3.499 18.710 5.533 1.00 55.23 H new ATOM 0 HZ3 LYS A 79 -3.716 17.972 7.047 1.00 55.23 H new ATOM 1108 N ASP A 80 -3.199 10.494 5.653 1.00 35.22 N ATOM 1109 CA ASP A 80 -2.048 9.682 5.315 1.00 31.13 C ATOM 1110 C ASP A 80 -2.520 8.292 4.955 1.00 60.24 C ATOM 1111 O ASP A 80 -3.638 7.893 5.300 1.00 51.55 O ATOM 1112 CB ASP A 80 -1.044 9.573 6.462 1.00 52.25 C ATOM 1113 CG ASP A 80 -1.562 8.788 7.684 1.00 53.44 C ATOM 1114 OD1 ASP A 80 -1.606 7.528 7.640 1.00 13.43 O ATOM 1115 OD2 ASP A 80 -1.855 9.414 8.721 1.00 51.12 O ATOM 0 H ASP A 80 -3.867 10.002 6.247 1.00 35.22 H new ATOM 0 HA ASP A 80 -1.543 10.165 4.478 1.00 31.13 H new ATOM 0 HB2 ASP A 80 -0.138 9.092 6.093 1.00 52.25 H new ATOM 0 HB3 ASP A 80 -0.764 10.577 6.781 1.00 52.25 H new ATOM 1119 N THR A 81 -1.643 7.538 4.309 1.00 41.35 N ATOM 1120 CA THR A 81 -1.961 6.265 3.718 1.00 74.14 C ATOM 1121 C THR A 81 -0.780 5.312 3.939 1.00 2.11 C ATOM 1122 O THR A 81 0.381 5.730 3.872 1.00 60.53 O ATOM 1123 CB THR A 81 -2.219 6.578 2.239 1.00 15.02 C ATOM 1124 OG1 THR A 81 -3.133 7.649 2.052 1.00 62.04 O ATOM 1125 CG2 THR A 81 -2.806 5.378 1.542 1.00 11.12 C ATOM 0 H THR A 81 -0.668 7.810 4.183 1.00 41.35 H new ATOM 0 HA THR A 81 -2.831 5.771 4.151 1.00 74.14 H new ATOM 0 HB THR A 81 -1.250 6.854 1.824 1.00 15.02 H new ATOM 0 HG1 THR A 81 -3.260 7.807 1.093 1.00 62.04 H new ATOM 0 HG21 THR A 81 -2.983 5.617 0.493 1.00 11.12 H new ATOM 0 HG22 THR A 81 -2.111 4.541 1.611 1.00 11.12 H new ATOM 0 HG23 THR A 81 -3.749 5.107 2.017 1.00 11.12 H new ATOM 1133 N ARG A 82 -1.039 4.020 4.166 1.00 34.50 N ATOM 1134 CA ARG A 82 -0.021 2.966 4.141 1.00 54.03 C ATOM 1135 C ARG A 82 -0.576 1.718 3.470 1.00 61.41 C ATOM 1136 O ARG A 82 -1.723 1.708 3.016 1.00 42.41 O ATOM 1137 CB ARG A 82 0.548 2.637 5.541 1.00 34.12 C ATOM 1138 CG ARG A 82 1.046 3.864 6.306 1.00 12.13 C ATOM 1139 CD ARG A 82 1.838 3.545 7.581 1.00 41.24 C ATOM 1140 NE ARG A 82 1.848 4.744 8.423 1.00 21.11 N ATOM 1141 CZ ARG A 82 2.565 5.020 9.511 1.00 73.53 C ATOM 1142 NH1 ARG A 82 3.400 4.118 9.998 1.00 55.22 N ATOM 1143 NH2 ARG A 82 2.443 6.205 10.102 1.00 52.41 N ATOM 0 H ARG A 82 -1.975 3.673 4.375 1.00 34.50 H new ATOM 0 HA ARG A 82 0.817 3.346 3.557 1.00 54.03 H new ATOM 0 HB2 ARG A 82 -0.224 2.141 6.130 1.00 34.12 H new ATOM 0 HB3 ARG A 82 1.370 1.929 5.432 1.00 34.12 H new ATOM 0 HG2 ARG A 82 1.675 4.459 5.643 1.00 12.13 H new ATOM 0 HG3 ARG A 82 0.189 4.482 6.572 1.00 12.13 H new ATOM 0 HD2 ARG A 82 1.382 2.710 8.113 1.00 41.24 H new ATOM 0 HD3 ARG A 82 2.856 3.246 7.332 1.00 41.24 H new ATOM 0 HE ARG A 82 1.207 5.481 8.131 1.00 21.11 H new ATOM 0 HH11 ARG A 82 3.495 3.211 9.541 1.00 55.22 H new ATOM 0 HH12 ARG A 82 3.949 4.329 10.831 1.00 55.22 H new ATOM 0 HH21 ARG A 82 1.801 6.901 9.722 1.00 52.41 H new ATOM 0 HH22 ARG A 82 2.991 6.418 10.935 1.00 52.41 H new ATOM 1154 N VAL A 83 0.238 0.674 3.413 1.00 21.51 N ATOM 1155 CA VAL A 83 -0.104 -0.670 2.997 1.00 34.44 C ATOM 1156 C VAL A 83 0.671 -1.567 3.960 1.00 24.42 C ATOM 1157 O VAL A 83 1.904 -1.556 3.924 1.00 53.05 O ATOM 1158 CB VAL A 83 0.305 -0.870 1.527 1.00 61.31 C ATOM 1159 CG1 VAL A 83 0.072 -2.321 1.086 1.00 0.42 C ATOM 1160 CG2 VAL A 83 -0.461 0.044 0.559 1.00 34.32 C ATOM 0 H VAL A 83 1.221 0.754 3.675 1.00 21.51 H new ATOM 0 HA VAL A 83 -1.170 -0.893 3.036 1.00 34.44 H new ATOM 0 HB VAL A 83 1.364 -0.615 1.484 1.00 61.31 H new ATOM 0 HG11 VAL A 83 0.369 -2.437 0.044 1.00 0.42 H new ATOM 0 HG12 VAL A 83 0.666 -2.990 1.709 1.00 0.42 H new ATOM 0 HG13 VAL A 83 -0.984 -2.568 1.192 1.00 0.42 H new ATOM 0 HG21 VAL A 83 -0.127 -0.145 -0.461 1.00 34.32 H new ATOM 0 HG22 VAL A 83 -1.529 -0.159 0.635 1.00 34.32 H new ATOM 0 HG23 VAL A 83 -0.271 1.086 0.815 1.00 34.32 H new ATOM 1170 N PHE A 84 -0.023 -2.274 4.857 1.00 51.01 N ATOM 1171 CA PHE A 84 0.561 -3.310 5.695 1.00 42.45 C ATOM 1172 C PHE A 84 0.333 -4.639 4.982 1.00 22.31 C ATOM 1173 O PHE A 84 -0.705 -5.277 5.116 1.00 64.41 O ATOM 1174 CB PHE A 84 -0.027 -3.293 7.116 1.00 35.14 C ATOM 1175 CG PHE A 84 0.376 -2.145 8.032 1.00 32.10 C ATOM 1176 CD1 PHE A 84 1.529 -1.375 7.803 1.00 15.22 C ATOM 1177 CD2 PHE A 84 -0.398 -1.867 9.168 1.00 15.42 C ATOM 1178 CE1 PHE A 84 1.888 -0.318 8.656 1.00 72.55 C ATOM 1179 CE2 PHE A 84 -0.029 -0.830 10.038 1.00 33.30 C ATOM 1180 CZ PHE A 84 1.102 -0.040 9.782 1.00 4.00 C ATOM 0 H PHE A 84 -1.021 -2.136 5.019 1.00 51.01 H new ATOM 0 HA PHE A 84 1.629 -3.140 5.832 1.00 42.45 H new ATOM 0 HB2 PHE A 84 -1.114 -3.289 7.030 1.00 35.14 H new ATOM 0 HB3 PHE A 84 0.250 -4.227 7.606 1.00 35.14 H new ATOM 0 HD1 PHE A 84 2.154 -1.601 6.951 1.00 15.22 H new ATOM 0 HD2 PHE A 84 -1.281 -2.453 9.374 1.00 15.42 H new ATOM 0 HE1 PHE A 84 2.765 0.277 8.445 1.00 72.55 H new ATOM 0 HE2 PHE A 84 -0.624 -0.637 10.918 1.00 33.30 H new ATOM 0 HZ PHE A 84 1.363 0.772 10.444 1.00 4.00 H new ATOM 1189 N ILE A 85 1.289 -5.031 4.149 1.00 64.41 N ATOM 1190 CA ILE A 85 1.376 -6.401 3.654 1.00 14.30 C ATOM 1191 C ILE A 85 1.740 -7.255 4.867 1.00 0.00 C ATOM 1192 O ILE A 85 2.725 -6.928 5.536 1.00 60.53 O ATOM 1193 CB ILE A 85 2.448 -6.530 2.545 1.00 42.15 C ATOM 1194 CG1 ILE A 85 2.318 -5.385 1.525 1.00 55.34 C ATOM 1195 CG2 ILE A 85 2.280 -7.876 1.825 1.00 21.11 C ATOM 1196 CD1 ILE A 85 3.237 -5.476 0.298 1.00 60.55 C ATOM 0 H ILE A 85 2.022 -4.414 3.799 1.00 64.41 H new ATOM 0 HA ILE A 85 0.436 -6.721 3.204 1.00 14.30 H new ATOM 0 HB ILE A 85 3.434 -6.475 3.007 1.00 42.15 H new ATOM 0 HG12 ILE A 85 1.285 -5.347 1.180 1.00 55.34 H new ATOM 0 HG13 ILE A 85 2.518 -4.443 2.036 1.00 55.34 H new ATOM 0 HG21 ILE A 85 3.035 -7.967 1.044 1.00 21.11 H new ATOM 0 HG22 ILE A 85 2.399 -8.689 2.541 1.00 21.11 H new ATOM 0 HG23 ILE A 85 1.287 -7.928 1.378 1.00 21.11 H new ATOM 0 HD11 ILE A 85 3.061 -4.619 -0.352 1.00 60.55 H new ATOM 0 HD12 ILE A 85 4.278 -5.478 0.622 1.00 60.55 H new ATOM 0 HD13 ILE A 85 3.025 -6.395 -0.248 1.00 60.55 H new ATOM 1207 N GLU A 86 0.982 -8.309 5.142 1.00 64.41 N ATOM 1208 CA GLU A 86 1.352 -9.333 6.110 1.00 21.30 C ATOM 1209 C GLU A 86 0.776 -10.680 5.679 1.00 71.55 C ATOM 1210 O GLU A 86 -0.030 -10.750 4.743 1.00 2.10 O ATOM 1211 CB GLU A 86 0.966 -8.949 7.543 1.00 12.21 C ATOM 1212 CG GLU A 86 -0.493 -8.579 7.837 1.00 75.21 C ATOM 1213 CD GLU A 86 -0.640 -8.282 9.335 1.00 34.20 C ATOM 1214 OE1 GLU A 86 0.044 -7.358 9.836 1.00 73.54 O ATOM 1215 OE2 GLU A 86 -1.367 -9.020 10.050 1.00 31.53 O ATOM 0 H GLU A 86 0.082 -8.479 4.693 1.00 64.41 H new ATOM 0 HA GLU A 86 2.438 -9.421 6.125 1.00 21.30 H new ATOM 0 HB2 GLU A 86 1.233 -9.783 8.192 1.00 12.21 H new ATOM 0 HB3 GLU A 86 1.588 -8.104 7.838 1.00 12.21 H new ATOM 0 HG2 GLU A 86 -0.786 -7.709 7.250 1.00 75.21 H new ATOM 0 HG3 GLU A 86 -1.154 -9.396 7.548 1.00 75.21 H new ATOM 1220 N LEU A 87 1.235 -11.754 6.323 1.00 11.00 N ATOM 1221 CA LEU A 87 0.702 -13.079 6.109 1.00 42.21 C ATOM 1222 C LEU A 87 -0.619 -13.201 6.829 1.00 55.11 C ATOM 1223 O LEU A 87 -0.948 -12.432 7.733 1.00 33.54 O ATOM 1224 CB LEU A 87 1.649 -14.180 6.617 1.00 34.11 C ATOM 1225 CG LEU A 87 2.847 -14.444 5.705 1.00 0.10 C ATOM 1226 CD1 LEU A 87 3.584 -13.232 5.253 1.00 4.01 C ATOM 1227 CD2 LEU A 87 3.834 -15.414 6.348 1.00 3.01 C ATOM 0 H LEU A 87 1.990 -11.718 7.008 1.00 11.00 H new ATOM 0 HA LEU A 87 0.579 -13.215 5.035 1.00 42.21 H new ATOM 0 HB2 LEU A 87 2.013 -13.903 7.606 1.00 34.11 H new ATOM 0 HB3 LEU A 87 1.084 -15.105 6.733 1.00 34.11 H new ATOM 0 HG LEU A 87 2.400 -14.882 4.813 1.00 0.10 H new ATOM 0 HD11 LEU A 87 4.414 -13.529 4.612 1.00 4.01 H new ATOM 0 HD12 LEU A 87 2.909 -12.583 4.695 1.00 4.01 H new ATOM 0 HD13 LEU A 87 3.969 -12.696 6.120 1.00 4.01 H new ATOM 0 HD21 LEU A 87 4.674 -15.580 5.673 1.00 3.01 H new ATOM 0 HD22 LEU A 87 4.199 -14.994 7.285 1.00 3.01 H new ATOM 0 HD23 LEU A 87 3.335 -16.363 6.546 1.00 3.01 H new ATOM 1238 N ASP A 88 -1.318 -14.251 6.459 1.00 44.44 N ATOM 1239 CA ASP A 88 -2.471 -14.750 7.191 1.00 74.15 C ATOM 1240 C ASP A 88 -2.699 -16.213 6.825 1.00 2.40 C ATOM 1241 O ASP A 88 -1.976 -16.738 5.974 1.00 52.12 O ATOM 1242 CB ASP A 88 -3.696 -13.906 6.813 1.00 32.42 C ATOM 1243 CG ASP A 88 -4.840 -13.967 7.812 1.00 71.24 C ATOM 1244 OD1 ASP A 88 -4.674 -14.542 8.904 1.00 3.22 O ATOM 1245 OD2 ASP A 88 -5.930 -13.457 7.450 1.00 52.04 O ATOM 0 H ASP A 88 -1.100 -14.796 5.625 1.00 44.44 H new ATOM 0 HA ASP A 88 -2.303 -14.678 8.266 1.00 74.15 H new ATOM 0 HB2 ASP A 88 -3.384 -12.868 6.700 1.00 32.42 H new ATOM 0 HB3 ASP A 88 -4.062 -14.236 5.841 1.00 32.42 H new ATOM 1249 N GLU A 89 -3.738 -16.827 7.392 1.00 1.33 N ATOM 1250 CA GLU A 89 -4.332 -18.122 7.077 1.00 60.11 C ATOM 1251 C GLU A 89 -3.359 -19.301 7.190 1.00 22.33 C ATOM 1252 O GLU A 89 -3.554 -20.139 8.072 1.00 71.34 O ATOM 1253 CB GLU A 89 -5.045 -18.105 5.713 1.00 32.21 C ATOM 1254 CG GLU A 89 -6.185 -17.084 5.575 1.00 53.22 C ATOM 1255 CD GLU A 89 -7.332 -17.238 6.580 1.00 44.25 C ATOM 1256 OE1 GLU A 89 -7.816 -18.379 6.803 1.00 14.11 O ATOM 1257 OE2 GLU A 89 -7.832 -16.216 7.105 1.00 42.23 O ATOM 0 H GLU A 89 -4.234 -16.381 8.163 1.00 1.33 H new ATOM 0 HA GLU A 89 -5.082 -18.290 7.850 1.00 60.11 H new ATOM 0 HB2 GLU A 89 -4.305 -17.904 4.938 1.00 32.21 H new ATOM 0 HB3 GLU A 89 -5.446 -19.100 5.520 1.00 32.21 H new ATOM 0 HG2 GLU A 89 -5.767 -16.083 5.677 1.00 53.22 H new ATOM 0 HG3 GLU A 89 -6.595 -17.157 4.568 1.00 53.22 H new ATOM 1262 N ASN A 90 -2.371 -19.419 6.301 1.00 13.22 N ATOM 1263 CA ASN A 90 -1.407 -20.519 6.218 1.00 63.22 C ATOM 1264 C ASN A 90 -0.039 -20.010 5.738 1.00 72.45 C ATOM 1265 O ASN A 90 0.678 -20.755 5.061 1.00 53.03 O ATOM 1266 CB ASN A 90 -1.933 -21.626 5.283 1.00 12.01 C ATOM 1267 CG ASN A 90 -3.093 -22.378 5.899 1.00 52.11 C ATOM 1268 OD1 ASN A 90 -2.895 -23.266 6.725 1.00 64.52 O ATOM 1269 ND2 ASN A 90 -4.313 -22.082 5.487 1.00 20.31 N ATOM 0 H ASN A 90 -2.213 -18.713 5.582 1.00 13.22 H new ATOM 0 HA ASN A 90 -1.281 -20.940 7.215 1.00 63.22 H new ATOM 0 HB2 ASN A 90 -2.247 -21.184 4.337 1.00 12.01 H new ATOM 0 HB3 ASN A 90 -1.127 -22.324 5.056 1.00 12.01 H new ATOM 0 HD21 ASN A 90 -5.114 -22.595 5.855 1.00 20.31 H new ATOM 0 HD22 ASN A 90 -4.454 -21.341 4.801 1.00 20.31 H new ATOM 1275 N ALA A 91 0.321 -18.761 6.072 1.00 22.54 N ATOM 1276 CA ALA A 91 1.393 -17.988 5.439 1.00 3.43 C ATOM 1277 C ALA A 91 1.005 -17.706 3.979 1.00 11.41 C ATOM 1278 O ALA A 91 1.693 -18.086 3.027 1.00 4.40 O ATOM 1279 CB ALA A 91 2.771 -18.657 5.618 1.00 21.14 C ATOM 0 H ALA A 91 -0.146 -18.246 6.818 1.00 22.54 H new ATOM 0 HA ALA A 91 1.505 -17.025 5.937 1.00 3.43 H new ATOM 0 HB1 ALA A 91 3.536 -18.050 5.133 1.00 21.14 H new ATOM 0 HB2 ALA A 91 2.997 -18.745 6.681 1.00 21.14 H new ATOM 0 HB3 ALA A 91 2.755 -19.649 5.167 1.00 21.14 H new ATOM 1285 N ASP A 92 -0.154 -17.072 3.828 1.00 74.52 N ATOM 1286 CA ASP A 92 -0.723 -16.550 2.587 1.00 35.43 C ATOM 1287 C ASP A 92 -0.243 -15.105 2.410 1.00 52.05 C ATOM 1288 O ASP A 92 0.649 -14.661 3.128 1.00 15.02 O ATOM 1289 CB ASP A 92 -2.262 -16.595 2.647 1.00 35.24 C ATOM 1290 CG ASP A 92 -2.867 -17.978 2.473 1.00 43.01 C ATOM 1291 OD1 ASP A 92 -2.330 -18.980 2.975 1.00 14.01 O ATOM 1292 OD2 ASP A 92 -3.929 -18.061 1.808 1.00 73.54 O ATOM 0 H ASP A 92 -0.765 -16.896 4.626 1.00 74.52 H new ATOM 0 HA ASP A 92 -0.399 -17.158 1.742 1.00 35.43 H new ATOM 0 HB2 ASP A 92 -2.586 -16.190 3.606 1.00 35.24 H new ATOM 0 HB3 ASP A 92 -2.661 -15.939 1.873 1.00 35.24 H new ATOM 1296 N VAL A 93 -0.823 -14.347 1.475 1.00 61.31 N ATOM 1297 CA VAL A 93 -0.425 -12.979 1.189 1.00 71.34 C ATOM 1298 C VAL A 93 -1.652 -12.082 1.261 1.00 31.11 C ATOM 1299 O VAL A 93 -2.387 -11.952 0.282 1.00 32.42 O ATOM 1300 CB VAL A 93 0.236 -12.922 -0.200 1.00 3.31 C ATOM 1301 CG1 VAL A 93 0.772 -11.510 -0.459 1.00 61.25 C ATOM 1302 CG2 VAL A 93 1.380 -13.928 -0.294 1.00 52.31 C ATOM 0 H VAL A 93 -1.592 -14.677 0.892 1.00 61.31 H new ATOM 0 HA VAL A 93 0.301 -12.628 1.923 1.00 71.34 H new ATOM 0 HB VAL A 93 -0.513 -13.174 -0.951 1.00 3.31 H new ATOM 0 HG11 VAL A 93 1.239 -11.473 -1.443 1.00 61.25 H new ATOM 0 HG12 VAL A 93 -0.051 -10.796 -0.421 1.00 61.25 H new ATOM 0 HG13 VAL A 93 1.509 -11.255 0.302 1.00 61.25 H new ATOM 0 HG21 VAL A 93 1.834 -13.872 -1.283 1.00 52.31 H new ATOM 0 HG22 VAL A 93 2.130 -13.698 0.463 1.00 52.31 H new ATOM 0 HG23 VAL A 93 0.994 -14.934 -0.128 1.00 52.31 H new ATOM 1312 N GLN A 94 -1.860 -11.436 2.403 1.00 44.15 N ATOM 1313 CA GLN A 94 -2.981 -10.527 2.613 1.00 40.04 C ATOM 1314 C GLN A 94 -2.519 -9.075 2.576 1.00 24.42 C ATOM 1315 O GLN A 94 -1.324 -8.764 2.543 1.00 42.42 O ATOM 1316 CB GLN A 94 -3.732 -10.900 3.905 1.00 21.51 C ATOM 1317 CG GLN A 94 -4.811 -11.998 3.770 1.00 15.10 C ATOM 1318 CD GLN A 94 -4.858 -12.755 2.447 1.00 41.31 C ATOM 1319 OE1 GLN A 94 -5.554 -12.367 1.513 1.00 1.33 O ATOM 1320 NE2 GLN A 94 -4.094 -13.826 2.321 1.00 13.10 N ATOM 0 H GLN A 94 -1.251 -11.529 3.216 1.00 44.15 H new ATOM 0 HA GLN A 94 -3.694 -10.633 1.795 1.00 40.04 H new ATOM 0 HB2 GLN A 94 -3.001 -11.226 4.645 1.00 21.51 H new ATOM 0 HB3 GLN A 94 -4.205 -10.000 4.299 1.00 21.51 H new ATOM 0 HG2 GLN A 94 -4.661 -12.722 4.571 1.00 15.10 H new ATOM 0 HG3 GLN A 94 -5.786 -11.539 3.934 1.00 15.10 H new ATOM 0 HE21 GLN A 94 -3.520 -14.138 3.104 1.00 13.10 H new ATOM 0 HE22 GLN A 94 -4.078 -14.340 1.440 1.00 13.10 H new ATOM 1327 N VAL A 95 -3.499 -8.175 2.538 1.00 75.31 N ATOM 1328 CA VAL A 95 -3.303 -6.748 2.562 1.00 4.14 C ATOM 1329 C VAL A 95 -4.116 -6.244 3.742 1.00 61.33 C ATOM 1330 O VAL A 95 -5.326 -6.454 3.829 1.00 4.20 O ATOM 1331 CB VAL A 95 -3.676 -6.116 1.216 1.00 60.31 C ATOM 1332 CG1 VAL A 95 -3.140 -4.676 1.177 1.00 21.42 C ATOM 1333 CG2 VAL A 95 -3.058 -6.901 0.049 1.00 55.44 C ATOM 0 H VAL A 95 -4.483 -8.441 2.488 1.00 75.31 H new ATOM 0 HA VAL A 95 -2.259 -6.466 2.697 1.00 4.14 H new ATOM 0 HB VAL A 95 -4.761 -6.131 1.115 1.00 60.31 H new ATOM 0 HG11 VAL A 95 -3.400 -4.217 0.223 1.00 21.42 H new ATOM 0 HG12 VAL A 95 -3.583 -4.101 1.990 1.00 21.42 H new ATOM 0 HG13 VAL A 95 -2.056 -4.688 1.290 1.00 21.42 H new ATOM 0 HG21 VAL A 95 -3.338 -6.432 -0.894 1.00 55.44 H new ATOM 0 HG22 VAL A 95 -1.972 -6.902 0.146 1.00 55.44 H new ATOM 0 HG23 VAL A 95 -3.425 -7.927 0.066 1.00 55.44 H new ATOM 1343 N PHE A 96 -3.443 -5.554 4.642 1.00 75.31 N ATOM 1344 CA PHE A 96 -4.016 -4.844 5.767 1.00 52.02 C ATOM 1345 C PHE A 96 -3.613 -3.381 5.637 1.00 33.33 C ATOM 1346 O PHE A 96 -2.753 -3.016 4.822 1.00 53.13 O ATOM 1347 CB PHE A 96 -3.482 -5.475 7.062 1.00 53.12 C ATOM 1348 CG PHE A 96 -4.376 -5.280 8.271 1.00 33.14 C ATOM 1349 CD1 PHE A 96 -5.425 -6.188 8.505 1.00 32.22 C ATOM 1350 CD2 PHE A 96 -4.166 -4.214 9.169 1.00 34.51 C ATOM 1351 CE1 PHE A 96 -6.247 -6.048 9.634 1.00 44.33 C ATOM 1352 CE2 PHE A 96 -5.003 -4.066 10.291 1.00 13.43 C ATOM 1353 CZ PHE A 96 -6.033 -4.987 10.531 1.00 32.34 C ATOM 0 H PHE A 96 -2.427 -5.470 4.605 1.00 75.31 H new ATOM 0 HA PHE A 96 -5.104 -4.908 5.788 1.00 52.02 H new ATOM 0 HB2 PHE A 96 -3.340 -6.543 6.899 1.00 53.12 H new ATOM 0 HB3 PHE A 96 -2.501 -5.053 7.279 1.00 53.12 H new ATOM 0 HD1 PHE A 96 -5.599 -6.998 7.812 1.00 32.22 H new ATOM 0 HD2 PHE A 96 -3.364 -3.512 8.996 1.00 34.51 H new ATOM 0 HE1 PHE A 96 -7.043 -6.755 9.813 1.00 44.33 H new ATOM 0 HE2 PHE A 96 -4.851 -3.240 10.970 1.00 13.43 H new ATOM 0 HZ PHE A 96 -6.661 -4.881 11.403 1.00 32.34 H new ATOM 1362 N ILE A 97 -4.218 -2.514 6.441 1.00 42.22 N ATOM 1363 CA ILE A 97 -3.884 -1.101 6.496 1.00 14.11 C ATOM 1364 C ILE A 97 -4.156 -0.555 7.904 1.00 72.55 C ATOM 1365 O ILE A 97 -5.152 -0.969 8.511 1.00 40.13 O ATOM 1366 CB ILE A 97 -4.692 -0.318 5.430 1.00 1.31 C ATOM 1367 CG1 ILE A 97 -6.151 -0.794 5.266 1.00 74.14 C ATOM 1368 CG2 ILE A 97 -3.978 -0.348 4.071 1.00 12.01 C ATOM 1369 CD1 ILE A 97 -6.972 0.166 4.402 1.00 60.33 C ATOM 0 H ILE A 97 -4.966 -2.780 7.082 1.00 42.22 H new ATOM 0 HA ILE A 97 -2.824 -0.974 6.277 1.00 14.11 H new ATOM 0 HB ILE A 97 -4.742 0.705 5.803 1.00 1.31 H new ATOM 0 HG12 ILE A 97 -6.160 -1.786 4.815 1.00 74.14 H new ATOM 0 HG13 ILE A 97 -6.615 -0.886 6.248 1.00 74.14 H new ATOM 0 HG21 ILE A 97 -4.564 0.208 3.340 1.00 12.01 H new ATOM 0 HG22 ILE A 97 -2.992 0.107 4.168 1.00 12.01 H new ATOM 0 HG23 ILE A 97 -3.870 -1.381 3.740 1.00 12.01 H new ATOM 0 HD11 ILE A 97 -7.992 -0.207 4.313 1.00 60.33 H new ATOM 0 HD12 ILE A 97 -6.986 1.152 4.866 1.00 60.33 H new ATOM 0 HD13 ILE A 97 -6.524 0.238 3.411 1.00 60.33 H new ATOM 1380 N PRO A 98 -3.330 0.391 8.395 1.00 73.24 N ATOM 1381 CA PRO A 98 -3.570 1.078 9.662 1.00 12.03 C ATOM 1382 C PRO A 98 -4.816 1.979 9.623 1.00 4.04 C ATOM 1383 O PRO A 98 -4.739 3.177 9.327 1.00 63.21 O ATOM 1384 CB PRO A 98 -2.287 1.857 9.958 1.00 22.52 C ATOM 1385 CG PRO A 98 -1.651 2.075 8.592 1.00 54.15 C ATOM 1386 CD PRO A 98 -2.078 0.852 7.781 1.00 31.21 C ATOM 0 HA PRO A 98 -3.790 0.367 10.458 1.00 12.03 H new ATOM 0 HB2 PRO A 98 -2.503 2.805 10.451 1.00 22.52 H new ATOM 0 HB3 PRO A 98 -1.626 1.297 10.619 1.00 22.52 H new ATOM 0 HG2 PRO A 98 -2.001 3.000 8.133 1.00 54.15 H new ATOM 0 HG3 PRO A 98 -0.566 2.146 8.665 1.00 54.15 H new ATOM 0 HD2 PRO A 98 -2.227 1.109 6.732 1.00 31.21 H new ATOM 0 HD3 PRO A 98 -1.315 0.074 7.813 1.00 31.21 H new ATOM 1391 N GLN A 99 -5.978 1.424 9.961 1.00 61.31 N ATOM 1392 CA GLN A 99 -7.275 2.093 9.897 1.00 11.32 C ATOM 1393 C GLN A 99 -7.890 2.249 11.291 1.00 74.51 C ATOM 1394 O GLN A 99 -7.369 1.723 12.280 1.00 63.44 O ATOM 1395 CB GLN A 99 -8.168 1.348 8.892 1.00 24.24 C ATOM 1396 CG GLN A 99 -7.806 1.693 7.440 1.00 41.35 C ATOM 1397 CD GLN A 99 -7.939 3.184 7.098 1.00 21.31 C ATOM 1398 OE1 GLN A 99 -9.017 3.769 7.141 1.00 32.12 O ATOM 1399 NE2 GLN A 99 -6.850 3.849 6.748 1.00 44.43 N ATOM 0 H GLN A 99 -6.044 0.464 10.298 1.00 61.31 H new ATOM 0 HA GLN A 99 -7.160 3.114 9.533 1.00 11.32 H new ATOM 0 HB2 GLN A 99 -8.069 0.273 9.045 1.00 24.24 H new ATOM 0 HB3 GLN A 99 -9.212 1.602 9.076 1.00 24.24 H new ATOM 0 HG2 GLN A 99 -6.781 1.377 7.248 1.00 41.35 H new ATOM 0 HG3 GLN A 99 -8.447 1.119 6.771 1.00 41.35 H new ATOM 0 HE21 GLN A 99 -5.950 3.370 6.710 1.00 44.43 H new ATOM 0 HE22 GLN A 99 -6.910 4.841 6.516 1.00 44.43 H new ATOM 1406 N GLY A 100 -8.966 3.032 11.376 1.00 14.40 N ATOM 1407 CA GLY A 100 -9.411 3.688 12.592 1.00 15.43 C ATOM 1408 C GLY A 100 -10.853 3.324 12.862 1.00 42.43 C ATOM 1409 O GLY A 100 -11.132 2.690 13.876 1.00 34.52 O ATOM 0 H GLY A 100 -9.565 3.229 10.574 1.00 14.40 H new ATOM 0 HA2 GLY A 100 -8.785 3.385 13.431 1.00 15.43 H new ATOM 0 HA3 GLY A 100 -9.310 4.769 12.493 1.00 15.43 H new ATOM 1413 N GLU A 101 -11.760 3.639 11.935 1.00 71.51 N ATOM 1414 CA GLU A 101 -13.164 3.262 12.046 1.00 73.21 C ATOM 1415 C GLU A 101 -13.385 1.848 11.497 1.00 55.31 C ATOM 1416 O GLU A 101 -14.230 1.610 10.636 1.00 44.15 O ATOM 1417 CB GLU A 101 -14.084 4.319 11.420 1.00 42.45 C ATOM 1418 CG GLU A 101 -13.870 4.572 9.922 1.00 15.32 C ATOM 1419 CD GLU A 101 -15.199 4.852 9.233 1.00 52.15 C ATOM 1420 OE1 GLU A 101 -15.757 5.961 9.440 1.00 42.52 O ATOM 1421 OE2 GLU A 101 -15.712 3.961 8.523 1.00 11.32 O ATOM 0 H GLU A 101 -11.538 4.162 11.088 1.00 71.51 H new ATOM 0 HA GLU A 101 -13.439 3.231 13.100 1.00 73.21 H new ATOM 0 HB2 GLU A 101 -15.119 4.014 11.576 1.00 42.45 H new ATOM 0 HB3 GLU A 101 -13.945 5.259 11.954 1.00 42.45 H new ATOM 0 HG2 GLU A 101 -13.196 5.417 9.783 1.00 15.32 H new ATOM 0 HG3 GLU A 101 -13.392 3.705 9.465 1.00 15.32 H new ATOM 1426 N ILE A 102 -12.603 0.900 12.000 1.00 34.33 N ATOM 1427 CA ILE A 102 -12.775 -0.523 11.764 1.00 12.23 C ATOM 1428 C ILE A 102 -13.111 -1.186 13.104 1.00 21.24 C ATOM 1429 O ILE A 102 -12.398 -2.078 13.573 1.00 42.45 O ATOM 1430 CB ILE A 102 -11.556 -1.107 11.010 1.00 20.52 C ATOM 1431 CG1 ILE A 102 -10.202 -0.701 11.632 1.00 31.34 C ATOM 1432 CG2 ILE A 102 -11.612 -0.672 9.532 1.00 31.54 C ATOM 1433 CD1 ILE A 102 -9.049 -1.637 11.252 1.00 14.13 C ATOM 0 H ILE A 102 -11.807 1.110 12.602 1.00 34.33 H new ATOM 0 HA ILE A 102 -13.611 -0.729 11.095 1.00 12.23 H new ATOM 0 HB ILE A 102 -11.618 -2.192 11.091 1.00 20.52 H new ATOM 0 HG12 ILE A 102 -9.956 0.313 11.316 1.00 31.34 H new ATOM 0 HG13 ILE A 102 -10.301 -0.682 12.717 1.00 31.34 H new ATOM 0 HG21 ILE A 102 -10.754 -1.082 8.999 1.00 31.54 H new ATOM 0 HG22 ILE A 102 -12.532 -1.042 9.078 1.00 31.54 H new ATOM 0 HG23 ILE A 102 -11.590 0.416 9.472 1.00 31.54 H new ATOM 0 HD11 ILE A 102 -8.129 -1.291 11.724 1.00 14.13 H new ATOM 0 HD12 ILE A 102 -9.274 -2.648 11.592 1.00 14.13 H new ATOM 0 HD13 ILE A 102 -8.923 -1.638 10.169 1.00 14.13 H new ATOM 1444 N ASP A 103 -14.191 -0.738 13.742 1.00 22.40 N ATOM 1445 CA ASP A 103 -14.833 -1.432 14.857 1.00 34.32 C ATOM 1446 C ASP A 103 -16.329 -1.196 14.802 1.00 14.41 C ATOM 1447 O ASP A 103 -17.082 -2.175 14.644 1.00 40.35 O ATOM 1448 CB ASP A 103 -14.295 -0.964 16.207 1.00 12.44 C ATOM 1449 CG ASP A 103 -15.084 -1.633 17.330 1.00 24.42 C ATOM 1450 OD1 ASP A 103 -15.021 -2.884 17.445 1.00 60.11 O ATOM 1451 OD2 ASP A 103 -15.665 -0.914 18.170 1.00 73.53 O ATOM 0 H ASP A 103 -14.654 0.136 13.493 1.00 22.40 H new ATOM 0 HA ASP A 103 -14.611 -2.495 14.760 1.00 34.32 H new ATOM 0 HB2 ASP A 103 -13.237 -1.211 16.294 1.00 12.44 H new ATOM 0 HB3 ASP A 103 -14.376 0.120 16.287 1.00 12.44 H new TER 1455 ASP A 103