USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 515 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 30 SER OG : rot 168:sc= -0.0509 USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0.863 K(o=0.93,f=-1.8) USER MOD Set 1.3: A 45 ASN : amide:sc= -0.0237 K(o=0.93,f=-0.85) USER MOD Set 1.4: A 47 GLN : amide:sc= 0 X(o=0.93,f=0.79) USER MOD Set 1.5: A 49 TYR OH : rot 107:sc= 0.145 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1 (180deg=0.784) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.5) USER MOD Single : A 31 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0305) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 157:sc= -1.93! USER MOD Single : A 55 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -31:sc= 0.295 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.0157 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.859 11.642 -24.604 1.00 0.00 N ATOM 2 CA MET A 1 46.808 11.501 -23.477 1.00 0.00 C ATOM 3 C MET A 1 46.044 11.233 -22.169 1.00 0.00 C ATOM 4 O MET A 1 46.347 10.269 -21.451 1.00 0.00 O ATOM 5 CB MET A 1 47.708 12.762 -23.362 1.00 0.00 C ATOM 6 CG MET A 1 48.690 12.963 -24.532 1.00 0.00 C ATOM 7 SD MET A 1 47.853 13.193 -26.116 1.00 0.00 S ATOM 8 CE MET A 1 49.242 13.229 -27.246 1.00 0.00 C ATOM 0 H1 MET A 1 46.379 11.906 -25.465 1.00 0.00 H new ATOM 0 H2 MET A 1 45.368 10.738 -24.760 1.00 0.00 H new ATOM 0 H3 MET A 1 45.162 12.381 -24.380 1.00 0.00 H new ATOM 0 HA MET A 1 47.459 10.647 -23.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.069 13.642 -23.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.277 12.702 -22.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.318 13.831 -24.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.352 12.099 -24.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 48.879 13.366 -28.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.904 14.054 -26.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 49.790 12.289 -27.179 1.00 0.00 H new ATOM 20 N SER A 2 45.044 12.095 -21.876 1.00 0.00 N ATOM 21 CA SER A 2 44.229 11.991 -20.658 1.00 0.00 C ATOM 22 C SER A 2 43.334 10.733 -20.705 1.00 0.00 C ATOM 23 O SER A 2 43.545 9.797 -19.923 1.00 0.00 O ATOM 24 CB SER A 2 43.378 13.264 -20.507 1.00 0.00 C ATOM 25 OG SER A 2 44.201 14.421 -20.537 1.00 0.00 O ATOM 0 H SER A 2 44.785 12.877 -22.478 1.00 0.00 H new ATOM 0 HA SER A 2 44.885 11.896 -19.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 42.642 13.313 -21.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.824 13.229 -19.569 1.00 0.00 H new ATOM 0 HG SER A 2 43.644 15.221 -20.441 1.00 0.00 H new ATOM 31 N ARG A 3 42.360 10.734 -21.658 1.00 0.00 N ATOM 32 CA ARG A 3 41.361 9.650 -21.855 1.00 0.00 C ATOM 33 C ARG A 3 40.475 9.526 -20.584 1.00 0.00 C ATOM 34 O ARG A 3 39.365 10.061 -20.541 1.00 0.00 O ATOM 35 CB ARG A 3 42.050 8.297 -22.272 1.00 0.00 C ATOM 36 CG ARG A 3 41.230 7.366 -23.211 1.00 0.00 C ATOM 37 CD ARG A 3 40.007 6.700 -22.556 1.00 0.00 C ATOM 38 NE ARG A 3 40.395 5.810 -21.446 1.00 0.00 N ATOM 39 CZ ARG A 3 39.629 4.839 -20.916 1.00 0.00 C ATOM 40 NH1 ARG A 3 38.435 4.550 -21.424 1.00 0.00 N ATOM 41 NH2 ARG A 3 40.090 4.127 -19.897 1.00 0.00 N ATOM 0 H ARG A 3 42.247 11.502 -22.320 1.00 0.00 H new ATOM 0 HA ARG A 3 40.706 9.905 -22.688 1.00 0.00 H new ATOM 0 HB2 ARG A 3 42.995 8.531 -22.763 1.00 0.00 H new ATOM 0 HB3 ARG A 3 42.291 7.742 -21.365 1.00 0.00 H new ATOM 0 HG2 ARG A 3 40.893 7.946 -24.070 1.00 0.00 H new ATOM 0 HG3 ARG A 3 41.890 6.586 -23.592 1.00 0.00 H new ATOM 0 HD2 ARG A 3 39.330 7.469 -22.185 1.00 0.00 H new ATOM 0 HD3 ARG A 3 39.460 6.128 -23.306 1.00 0.00 H new ATOM 0 HE ARG A 3 41.324 5.942 -21.046 1.00 0.00 H new ATOM 0 HH11 ARG A 3 38.085 5.068 -22.230 1.00 0.00 H new ATOM 0 HH12 ARG A 3 37.869 3.810 -21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 3 41.019 4.317 -19.521 1.00 0.00 H new ATOM 0 HH22 ARG A 3 39.516 3.389 -19.489 1.00 0.00 H new ATOM 55 N MET A 4 41.001 8.837 -19.553 1.00 0.00 N ATOM 56 CA MET A 4 40.415 8.777 -18.198 1.00 0.00 C ATOM 57 C MET A 4 41.579 8.860 -17.194 1.00 0.00 C ATOM 58 O MET A 4 42.369 7.914 -17.090 1.00 0.00 O ATOM 59 CB MET A 4 39.577 7.480 -17.989 1.00 0.00 C ATOM 60 CG MET A 4 38.247 7.452 -18.750 1.00 0.00 C ATOM 61 SD MET A 4 37.329 5.917 -18.502 1.00 0.00 S ATOM 62 CE MET A 4 35.855 6.210 -19.480 1.00 0.00 C ATOM 0 H MET A 4 41.861 8.296 -19.639 1.00 0.00 H new ATOM 0 HA MET A 4 39.724 9.607 -18.051 1.00 0.00 H new ATOM 0 HB2 MET A 4 40.175 6.623 -18.297 1.00 0.00 H new ATOM 0 HB3 MET A 4 39.374 7.361 -16.925 1.00 0.00 H new ATOM 0 HG2 MET A 4 37.632 8.293 -18.429 1.00 0.00 H new ATOM 0 HG3 MET A 4 38.440 7.586 -19.814 1.00 0.00 H new ATOM 0 HE1 MET A 4 35.198 5.342 -19.417 1.00 0.00 H new ATOM 0 HE2 MET A 4 35.334 7.088 -19.098 1.00 0.00 H new ATOM 0 HE3 MET A 4 36.136 6.378 -20.520 1.00 0.00 H new ATOM 72 N ASP A 5 41.708 10.018 -16.507 1.00 0.00 N ATOM 73 CA ASP A 5 42.802 10.283 -15.546 1.00 0.00 C ATOM 74 C ASP A 5 42.812 9.263 -14.385 1.00 0.00 C ATOM 75 O ASP A 5 43.828 8.593 -14.153 1.00 0.00 O ATOM 76 CB ASP A 5 42.711 11.734 -14.980 1.00 0.00 C ATOM 77 CG ASP A 5 43.253 12.799 -15.946 1.00 0.00 C ATOM 78 OD1 ASP A 5 42.493 13.293 -16.806 1.00 0.00 O ATOM 79 OD2 ASP A 5 44.455 13.142 -15.850 1.00 0.00 O ATOM 0 H ASP A 5 41.055 10.796 -16.604 1.00 0.00 H new ATOM 0 HA ASP A 5 43.737 10.175 -16.095 1.00 0.00 H new ATOM 0 HB2 ASP A 5 41.671 11.961 -14.747 1.00 0.00 H new ATOM 0 HB3 ASP A 5 43.266 11.787 -14.044 1.00 0.00 H new ATOM 84 N ASN A 6 41.669 9.186 -13.677 1.00 0.00 N ATOM 85 CA ASN A 6 41.438 8.307 -12.500 1.00 0.00 C ATOM 86 C ASN A 6 42.316 8.703 -11.283 1.00 0.00 C ATOM 87 O ASN A 6 43.516 8.968 -11.417 1.00 0.00 O ATOM 88 CB ASN A 6 41.625 6.802 -12.856 1.00 0.00 C ATOM 89 CG ASN A 6 41.300 5.839 -11.700 1.00 0.00 C ATOM 90 OD1 ASN A 6 40.432 6.110 -10.865 1.00 0.00 O ATOM 91 ND2 ASN A 6 41.999 4.714 -11.644 1.00 0.00 N ATOM 0 H ASN A 6 40.851 9.749 -13.911 1.00 0.00 H new ATOM 0 HA ASN A 6 40.398 8.455 -12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 6 40.989 6.559 -13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 6 42.656 6.639 -13.172 1.00 0.00 H new ATOM 0 HD21 ASN A 6 41.826 4.043 -10.895 1.00 0.00 H new ATOM 0 HD22 ASN A 6 42.710 4.519 -12.349 1.00 0.00 H new ATOM 98 N THR A 7 41.702 8.718 -10.089 1.00 0.00 N ATOM 99 CA THR A 7 42.394 8.997 -8.819 1.00 0.00 C ATOM 100 C THR A 7 41.827 8.087 -7.715 1.00 0.00 C ATOM 101 O THR A 7 40.654 7.672 -7.768 1.00 0.00 O ATOM 102 CB THR A 7 42.273 10.509 -8.412 1.00 0.00 C ATOM 103 OG1 THR A 7 42.940 10.746 -7.156 1.00 0.00 O ATOM 104 CG2 THR A 7 40.812 10.990 -8.315 1.00 0.00 C ATOM 0 H THR A 7 40.705 8.536 -9.976 1.00 0.00 H new ATOM 0 HA THR A 7 43.455 8.786 -8.952 1.00 0.00 H new ATOM 0 HB THR A 7 42.753 11.081 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 7 42.858 11.693 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 7 40.793 12.042 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 7 40.324 10.867 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 7 40.284 10.402 -7.564 1.00 0.00 H new ATOM 112 N GLU A 8 42.674 7.770 -6.724 1.00 0.00 N ATOM 113 CA GLU A 8 42.323 6.890 -5.595 1.00 0.00 C ATOM 114 C GLU A 8 42.201 7.720 -4.305 1.00 0.00 C ATOM 115 O GLU A 8 42.999 8.632 -4.077 1.00 0.00 O ATOM 116 CB GLU A 8 43.395 5.781 -5.436 1.00 0.00 C ATOM 117 CG GLU A 8 43.606 4.918 -6.697 1.00 0.00 C ATOM 118 CD GLU A 8 44.541 3.725 -6.454 1.00 0.00 C ATOM 119 OE1 GLU A 8 45.778 3.902 -6.487 1.00 0.00 O ATOM 120 OE2 GLU A 8 44.038 2.604 -6.191 1.00 0.00 O ATOM 0 H GLU A 8 43.631 8.120 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 8 41.362 6.414 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 8 44.343 6.245 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 8 43.109 5.131 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 42.641 4.552 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 8 44.017 5.540 -7.492 1.00 0.00 H new ATOM 127 N LEU A 9 41.188 7.399 -3.478 1.00 0.00 N ATOM 128 CA LEU A 9 40.936 8.094 -2.201 1.00 0.00 C ATOM 129 C LEU A 9 41.872 7.534 -1.104 1.00 0.00 C ATOM 130 O LEU A 9 41.949 6.307 -0.948 1.00 0.00 O ATOM 131 CB LEU A 9 39.444 7.956 -1.758 1.00 0.00 C ATOM 132 CG LEU A 9 38.373 8.634 -2.687 1.00 0.00 C ATOM 133 CD1 LEU A 9 38.126 7.830 -3.984 1.00 0.00 C ATOM 134 CD2 LEU A 9 37.053 8.900 -1.928 1.00 0.00 C ATOM 0 H LEU A 9 40.522 6.652 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 9 41.142 9.154 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 9 39.207 6.895 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 9 39.344 8.378 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 9 38.784 9.598 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 9 37.378 8.340 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 39.057 7.750 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 37.769 6.832 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.335 9.369 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.646 7.957 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 9 37.246 9.562 -1.084 1.00 0.00 H new ATOM 146 N PRO A 10 42.616 8.417 -0.350 1.00 0.00 N ATOM 147 CA PRO A 10 43.498 7.983 0.770 1.00 0.00 C ATOM 148 C PRO A 10 42.733 7.220 1.879 1.00 0.00 C ATOM 149 O PRO A 10 41.538 7.468 2.106 1.00 0.00 O ATOM 150 CB PRO A 10 44.081 9.320 1.305 1.00 0.00 C ATOM 151 CG PRO A 10 43.958 10.278 0.159 1.00 0.00 C ATOM 152 CD PRO A 10 42.671 9.894 -0.538 1.00 0.00 C ATOM 0 HA PRO A 10 44.259 7.277 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 10 43.528 9.672 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.120 9.203 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 10 43.924 11.310 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 10 44.811 10.198 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 10 41.808 10.390 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 10 42.687 10.166 -1.593 1.00 0.00 H new ATOM 160 N HIS A 11 43.429 6.299 2.562 1.00 0.00 N ATOM 161 CA HIS A 11 42.829 5.463 3.618 1.00 0.00 C ATOM 162 C HIS A 11 42.882 6.180 4.984 1.00 0.00 C ATOM 163 O HIS A 11 43.805 6.965 5.228 1.00 0.00 O ATOM 164 CB HIS A 11 43.526 4.069 3.677 1.00 0.00 C ATOM 165 CG HIS A 11 45.002 4.086 4.023 1.00 0.00 C ATOM 166 ND1 HIS A 11 45.998 4.229 3.082 1.00 0.00 N ATOM 167 CD2 HIS A 11 45.642 3.939 5.214 1.00 0.00 C ATOM 168 CE1 HIS A 11 47.174 4.187 3.677 1.00 0.00 C ATOM 169 NE2 HIS A 11 46.987 4.010 4.971 1.00 0.00 N ATOM 0 H HIS A 11 44.419 6.112 2.401 1.00 0.00 H new ATOM 0 HA HIS A 11 41.779 5.300 3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 11 43.006 3.454 4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 11 43.404 3.581 2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 11 45.174 3.793 6.176 1.00 0.00 H new ATOM 0 HE1 HIS A 11 48.131 4.282 3.186 1.00 0.00 H new ATOM 0 HE2 HIS A 11 47.723 3.938 5.674 1.00 0.00 H new ATOM 178 N PRO A 12 41.877 5.935 5.890 1.00 0.00 N ATOM 179 CA PRO A 12 41.936 6.396 7.303 1.00 0.00 C ATOM 180 C PRO A 12 43.014 5.647 8.121 1.00 0.00 C ATOM 181 O PRO A 12 43.691 4.746 7.603 1.00 0.00 O ATOM 182 CB PRO A 12 40.509 6.105 7.839 1.00 0.00 C ATOM 183 CG PRO A 12 39.996 4.990 6.969 1.00 0.00 C ATOM 184 CD PRO A 12 40.586 5.249 5.595 1.00 0.00 C ATOM 0 HA PRO A 12 42.217 7.446 7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.532 5.810 8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.872 6.987 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.305 4.018 7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.907 4.987 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.742 4.321 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.930 5.873 4.988 1.00 0.00 H new ATOM 192 N LYS A 13 43.142 6.025 9.405 1.00 0.00 N ATOM 193 CA LYS A 13 44.147 5.460 10.323 1.00 0.00 C ATOM 194 C LYS A 13 43.941 3.946 10.537 1.00 0.00 C ATOM 195 O LYS A 13 42.802 3.477 10.616 1.00 0.00 O ATOM 196 CB LYS A 13 44.094 6.197 11.684 1.00 0.00 C ATOM 197 CG LYS A 13 44.437 7.700 11.612 1.00 0.00 C ATOM 198 CD LYS A 13 44.402 8.375 13.001 1.00 0.00 C ATOM 199 CE LYS A 13 44.824 9.852 12.964 1.00 0.00 C ATOM 200 NZ LYS A 13 44.874 10.434 14.332 1.00 0.00 N ATOM 0 H LYS A 13 42.549 6.734 9.837 1.00 0.00 H new ATOM 0 HA LYS A 13 45.127 5.601 9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 43.095 6.085 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 13 44.786 5.712 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 13 45.428 7.824 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 13 43.731 8.200 10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 13 43.394 8.301 13.409 1.00 0.00 H new ATOM 0 HD3 LYS A 13 45.060 7.832 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 13 45.803 9.941 12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 13 44.122 10.418 12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 45.162 11.432 14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 43.933 10.370 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 45.562 9.908 14.908 1.00 0.00 H new ATOM 214 N GLU A 14 45.063 3.206 10.619 1.00 0.00 N ATOM 215 CA GLU A 14 45.063 1.750 10.850 1.00 0.00 C ATOM 216 C GLU A 14 44.470 1.412 12.245 1.00 0.00 C ATOM 217 O GLU A 14 44.869 1.991 13.266 1.00 0.00 O ATOM 218 CB GLU A 14 46.499 1.152 10.653 1.00 0.00 C ATOM 219 CG GLU A 14 47.590 1.555 11.685 1.00 0.00 C ATOM 220 CD GLU A 14 47.857 3.073 11.784 1.00 0.00 C ATOM 221 OE1 GLU A 14 48.435 3.651 10.835 1.00 0.00 O ATOM 222 OE2 GLU A 14 47.476 3.697 12.807 1.00 0.00 O ATOM 0 H GLU A 14 45.998 3.603 10.526 1.00 0.00 H new ATOM 0 HA GLU A 14 44.418 1.281 10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 14 46.415 0.065 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 14 46.850 1.439 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 47.295 1.187 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 14 48.521 1.053 11.423 1.00 0.00 H new ATOM 229 N ILE A 15 43.461 0.516 12.260 1.00 0.00 N ATOM 230 CA ILE A 15 42.748 0.119 13.486 1.00 0.00 C ATOM 231 C ILE A 15 43.022 -1.366 13.779 1.00 0.00 C ATOM 232 O ILE A 15 42.576 -2.252 13.043 1.00 0.00 O ATOM 233 CB ILE A 15 41.196 0.389 13.365 1.00 0.00 C ATOM 234 CG1 ILE A 15 40.922 1.899 13.046 1.00 0.00 C ATOM 235 CG2 ILE A 15 40.448 -0.058 14.652 1.00 0.00 C ATOM 236 CD1 ILE A 15 39.455 2.251 12.856 1.00 0.00 C ATOM 0 H ILE A 15 43.120 0.049 11.420 1.00 0.00 H new ATOM 0 HA ILE A 15 43.117 0.724 14.314 1.00 0.00 H new ATOM 0 HB ILE A 15 40.811 -0.207 12.537 1.00 0.00 H new ATOM 0 HG12 ILE A 15 41.326 2.507 13.856 1.00 0.00 H new ATOM 0 HG13 ILE A 15 41.467 2.170 12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 15 39.382 0.140 14.540 1.00 0.00 H new ATOM 0 HG22 ILE A 15 40.604 -1.125 14.812 1.00 0.00 H new ATOM 0 HG23 ILE A 15 40.832 0.497 15.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 39.361 3.315 12.639 1.00 0.00 H new ATOM 0 HD12 ILE A 15 39.047 1.674 12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 15 38.904 2.016 13.766 1.00 0.00 H new ATOM 248 N ASP A 16 43.807 -1.609 14.833 1.00 0.00 N ATOM 249 CA ASP A 16 44.039 -2.953 15.383 1.00 0.00 C ATOM 250 C ASP A 16 42.883 -3.322 16.321 1.00 0.00 C ATOM 251 O ASP A 16 42.324 -2.444 16.995 1.00 0.00 O ATOM 252 CB ASP A 16 45.384 -2.994 16.152 1.00 0.00 C ATOM 253 CG ASP A 16 46.608 -2.747 15.249 1.00 0.00 C ATOM 254 OD1 ASP A 16 46.798 -1.600 14.783 1.00 0.00 O ATOM 255 OD2 ASP A 16 47.386 -3.697 14.997 1.00 0.00 O ATOM 0 H ASP A 16 44.305 -0.874 15.335 1.00 0.00 H new ATOM 0 HA ASP A 16 44.088 -3.673 14.566 1.00 0.00 H new ATOM 0 HB2 ASP A 16 45.366 -2.243 16.942 1.00 0.00 H new ATOM 0 HB3 ASP A 16 45.488 -3.965 16.637 1.00 0.00 H new ATOM 260 N ASN A 17 42.545 -4.620 16.390 1.00 0.00 N ATOM 261 CA ASN A 17 41.471 -5.144 17.275 1.00 0.00 C ATOM 262 C ASN A 17 42.040 -5.566 18.657 1.00 0.00 C ATOM 263 O ASN A 17 41.522 -6.490 19.302 1.00 0.00 O ATOM 264 CB ASN A 17 40.719 -6.321 16.568 1.00 0.00 C ATOM 265 CG ASN A 17 39.826 -5.883 15.396 1.00 0.00 C ATOM 266 OD1 ASN A 17 40.119 -4.917 14.680 1.00 0.00 O ATOM 267 ND2 ASN A 17 38.715 -6.588 15.191 1.00 0.00 N ATOM 0 H ASN A 17 43.004 -5.343 15.836 1.00 0.00 H new ATOM 0 HA ASN A 17 40.750 -4.348 17.461 1.00 0.00 H new ATOM 0 HB2 ASN A 17 41.453 -7.039 16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 17 40.105 -6.840 17.304 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.084 -6.336 14.430 1.00 0.00 H new ATOM 0 HD22 ASN A 17 38.495 -7.380 15.795 1.00 0.00 H new ATOM 274 N GLU A 18 43.079 -4.808 19.108 1.00 0.00 N ATOM 275 CA GLU A 18 43.734 -4.937 20.432 1.00 0.00 C ATOM 276 C GLU A 18 44.430 -6.303 20.609 1.00 0.00 C ATOM 277 O GLU A 18 43.778 -7.307 20.905 1.00 0.00 O ATOM 278 CB GLU A 18 42.727 -4.682 21.596 1.00 0.00 C ATOM 279 CG GLU A 18 41.969 -3.338 21.527 1.00 0.00 C ATOM 280 CD GLU A 18 40.974 -3.156 22.683 1.00 0.00 C ATOM 281 OE1 GLU A 18 39.904 -3.801 22.659 1.00 0.00 O ATOM 282 OE2 GLU A 18 41.269 -2.402 23.634 1.00 0.00 O ATOM 0 H GLU A 18 43.493 -4.069 18.539 1.00 0.00 H new ATOM 0 HA GLU A 18 44.505 -4.168 20.471 1.00 0.00 H new ATOM 0 HB2 GLU A 18 41.998 -5.492 21.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 43.269 -4.727 22.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 42.688 -2.519 21.541 1.00 0.00 H new ATOM 0 HG3 GLU A 18 41.434 -3.276 20.580 1.00 0.00 H new ATOM 289 N THR A 19 45.762 -6.336 20.399 1.00 0.00 N ATOM 290 CA THR A 19 46.570 -7.538 20.646 1.00 0.00 C ATOM 291 C THR A 19 46.682 -7.796 22.168 1.00 0.00 C ATOM 292 O THR A 19 47.055 -6.902 22.943 1.00 0.00 O ATOM 293 CB THR A 19 47.995 -7.455 19.981 1.00 0.00 C ATOM 294 OG1 THR A 19 48.736 -8.656 20.257 1.00 0.00 O ATOM 295 CG2 THR A 19 48.815 -6.231 20.435 1.00 0.00 C ATOM 0 H THR A 19 46.298 -5.538 20.058 1.00 0.00 H new ATOM 0 HA THR A 19 46.060 -8.379 20.177 1.00 0.00 H new ATOM 0 HB THR A 19 47.827 -7.344 18.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 49.620 -8.598 19.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 49.785 -6.238 19.937 1.00 0.00 H new ATOM 0 HG22 THR A 19 48.280 -5.318 20.175 1.00 0.00 H new ATOM 0 HG23 THR A 19 48.961 -6.271 21.514 1.00 0.00 H new ATOM 303 N LEU A 20 46.301 -9.011 22.582 1.00 0.00 N ATOM 304 CA LEU A 20 46.373 -9.450 23.984 1.00 0.00 C ATOM 305 C LEU A 20 47.716 -10.152 24.242 1.00 0.00 C ATOM 306 O LEU A 20 48.499 -10.390 23.309 1.00 0.00 O ATOM 307 CB LEU A 20 45.164 -10.377 24.294 1.00 0.00 C ATOM 308 CG LEU A 20 43.749 -9.756 24.010 1.00 0.00 C ATOM 309 CD1 LEU A 20 42.609 -10.739 24.349 1.00 0.00 C ATOM 310 CD2 LEU A 20 43.559 -8.410 24.748 1.00 0.00 C ATOM 0 H LEU A 20 45.932 -9.722 21.951 1.00 0.00 H new ATOM 0 HA LEU A 20 46.319 -8.590 24.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 45.267 -11.289 23.706 1.00 0.00 H new ATOM 0 HB3 LEU A 20 45.210 -10.668 25.343 1.00 0.00 H new ATOM 0 HG LEU A 20 43.701 -9.558 22.939 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.648 -10.269 24.138 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.713 -11.640 23.744 1.00 0.00 H new ATOM 0 HD13 LEU A 20 42.659 -11.004 25.405 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.569 -8.011 24.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 43.656 -8.567 25.822 1.00 0.00 H new ATOM 0 HD23 LEU A 20 44.318 -7.702 24.415 1.00 0.00 H new ATOM 322 N LEU A 21 47.970 -10.471 25.515 1.00 0.00 N ATOM 323 CA LEU A 21 49.231 -11.099 25.966 1.00 0.00 C ATOM 324 C LEU A 21 49.327 -12.581 25.508 1.00 0.00 C ATOM 325 O LEU A 21 48.283 -13.209 25.281 1.00 0.00 O ATOM 326 CB LEU A 21 49.319 -10.991 27.513 1.00 0.00 C ATOM 327 CG LEU A 21 49.313 -9.531 28.071 1.00 0.00 C ATOM 328 CD1 LEU A 21 49.200 -9.508 29.603 1.00 0.00 C ATOM 329 CD2 LEU A 21 50.547 -8.732 27.585 1.00 0.00 C ATOM 0 H LEU A 21 47.307 -10.303 26.272 1.00 0.00 H new ATOM 0 HA LEU A 21 50.071 -10.573 25.512 1.00 0.00 H new ATOM 0 HB2 LEU A 21 48.481 -11.535 27.949 1.00 0.00 H new ATOM 0 HB3 LEU A 21 50.230 -11.488 27.846 1.00 0.00 H new ATOM 0 HG LEU A 21 48.426 -9.039 27.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 49.199 -8.475 29.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 48.273 -9.995 29.907 1.00 0.00 H new ATOM 0 HD13 LEU A 21 50.047 -10.038 30.038 1.00 0.00 H new ATOM 0 HD21 LEU A 21 50.510 -7.722 27.992 1.00 0.00 H new ATOM 0 HD22 LEU A 21 51.457 -9.227 27.924 1.00 0.00 H new ATOM 0 HD23 LEU A 21 50.544 -8.685 26.496 1.00 0.00 H new ATOM 341 N PRO A 22 50.580 -13.145 25.330 1.00 0.00 N ATOM 342 CA PRO A 22 50.793 -14.600 25.051 1.00 0.00 C ATOM 343 C PRO A 22 50.079 -15.520 26.068 1.00 0.00 C ATOM 344 O PRO A 22 49.902 -15.135 27.230 1.00 0.00 O ATOM 345 CB PRO A 22 52.334 -14.765 25.151 1.00 0.00 C ATOM 346 CG PRO A 22 52.871 -13.416 24.770 1.00 0.00 C ATOM 347 CD PRO A 22 51.881 -12.406 25.333 1.00 0.00 C ATOM 0 HA PRO A 22 50.380 -14.888 24.084 1.00 0.00 H new ATOM 0 HB2 PRO A 22 52.640 -15.046 26.159 1.00 0.00 H new ATOM 0 HB3 PRO A 22 52.696 -15.543 24.479 1.00 0.00 H new ATOM 0 HG2 PRO A 22 53.867 -13.260 25.183 1.00 0.00 H new ATOM 0 HG3 PRO A 22 52.956 -13.320 23.688 1.00 0.00 H new ATOM 0 HD2 PRO A 22 52.160 -12.090 26.338 1.00 0.00 H new ATOM 0 HD3 PRO A 22 51.832 -11.507 24.718 1.00 0.00 H new ATOM 355 N ALA A 23 49.678 -16.727 25.613 1.00 0.00 N ATOM 356 CA ALA A 23 48.973 -17.720 26.456 1.00 0.00 C ATOM 357 C ALA A 23 49.795 -18.086 27.710 1.00 0.00 C ATOM 358 O ALA A 23 49.250 -18.159 28.820 1.00 0.00 O ATOM 359 CB ALA A 23 48.661 -18.971 25.636 1.00 0.00 C ATOM 0 H ALA A 23 49.833 -17.041 24.655 1.00 0.00 H new ATOM 0 HA ALA A 23 48.039 -17.273 26.797 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.143 -19.697 26.263 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.027 -18.703 24.791 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.590 -19.407 25.269 1.00 0.00 H new ATOM 365 N ALA A 24 51.106 -18.309 27.499 1.00 0.00 N ATOM 366 CA ALA A 24 52.083 -18.507 28.576 1.00 0.00 C ATOM 367 C ALA A 24 53.503 -18.350 28.018 1.00 0.00 C ATOM 368 O ALA A 24 53.913 -19.098 27.116 1.00 0.00 O ATOM 369 CB ALA A 24 51.912 -19.878 29.249 1.00 0.00 C ATOM 0 H ALA A 24 51.516 -18.356 26.566 1.00 0.00 H new ATOM 0 HA ALA A 24 51.911 -17.749 29.340 1.00 0.00 H new ATOM 0 HB1 ALA A 24 52.652 -19.989 30.041 1.00 0.00 H new ATOM 0 HB2 ALA A 24 50.911 -19.952 29.674 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.051 -20.666 28.509 1.00 0.00 H new ATOM 375 N GLU A 25 54.237 -17.360 28.549 1.00 0.00 N ATOM 376 CA GLU A 25 55.635 -17.099 28.180 1.00 0.00 C ATOM 377 C GLU A 25 56.563 -18.120 28.885 1.00 0.00 C ATOM 378 O GLU A 25 57.066 -17.894 29.992 1.00 0.00 O ATOM 379 CB GLU A 25 56.018 -15.629 28.517 1.00 0.00 C ATOM 380 CG GLU A 25 55.699 -15.183 29.958 1.00 0.00 C ATOM 381 CD GLU A 25 56.335 -13.840 30.318 1.00 0.00 C ATOM 382 OE1 GLU A 25 55.808 -12.792 29.892 1.00 0.00 O ATOM 383 OE2 GLU A 25 57.386 -13.829 30.993 1.00 0.00 O ATOM 0 H GLU A 25 53.874 -16.715 29.251 1.00 0.00 H new ATOM 0 HA GLU A 25 55.759 -17.225 27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.086 -15.499 28.341 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.498 -14.967 27.825 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.618 -15.112 30.081 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.050 -15.944 30.655 1.00 0.00 H new ATOM 390 N ARG A 26 56.727 -19.289 28.251 1.00 0.00 N ATOM 391 CA ARG A 26 57.548 -20.382 28.794 1.00 0.00 C ATOM 392 C ARG A 26 58.391 -21.002 27.673 1.00 0.00 C ATOM 393 O ARG A 26 57.949 -21.925 26.982 1.00 0.00 O ATOM 394 CB ARG A 26 56.641 -21.432 29.511 1.00 0.00 C ATOM 395 CG ARG A 26 57.384 -22.631 30.157 1.00 0.00 C ATOM 396 CD ARG A 26 58.479 -22.199 31.148 1.00 0.00 C ATOM 397 NE ARG A 26 57.958 -21.321 32.213 1.00 0.00 N ATOM 398 CZ ARG A 26 58.692 -20.776 33.196 1.00 0.00 C ATOM 399 NH1 ARG A 26 59.989 -21.037 33.316 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.113 -19.976 34.067 1.00 0.00 N ATOM 0 H ARG A 26 56.297 -19.504 27.351 1.00 0.00 H new ATOM 0 HA ARG A 26 58.237 -19.992 29.543 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.069 -20.922 30.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.923 -21.819 28.788 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.662 -23.262 30.675 1.00 0.00 H new ATOM 0 HG3 ARG A 26 57.833 -23.239 29.371 1.00 0.00 H new ATOM 0 HD2 ARG A 26 58.928 -23.084 31.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.270 -21.680 30.607 1.00 0.00 H new ATOM 0 HE ARG A 26 56.960 -21.111 32.201 1.00 0.00 H new ATOM 0 HH11 ARG A 26 60.447 -21.663 32.653 1.00 0.00 H new ATOM 0 HH12 ARG A 26 60.527 -20.612 34.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.116 -19.776 33.991 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.662 -19.557 34.818 1.00 0.00 H new ATOM 414 N ARG A 27 59.608 -20.451 27.482 1.00 0.00 N ATOM 415 CA ARG A 27 60.551 -20.911 26.445 1.00 0.00 C ATOM 416 C ARG A 27 61.199 -22.245 26.858 1.00 0.00 C ATOM 417 O ARG A 27 62.215 -22.276 27.565 1.00 0.00 O ATOM 418 CB ARG A 27 61.629 -19.833 26.146 1.00 0.00 C ATOM 419 CG ARG A 27 61.088 -18.595 25.397 1.00 0.00 C ATOM 420 CD ARG A 27 62.173 -17.553 25.080 1.00 0.00 C ATOM 421 NE ARG A 27 61.664 -16.478 24.209 1.00 0.00 N ATOM 422 CZ ARG A 27 62.059 -15.194 24.221 1.00 0.00 C ATOM 423 NH1 ARG A 27 62.916 -14.734 25.134 1.00 0.00 N ATOM 424 NH2 ARG A 27 61.581 -14.365 23.309 1.00 0.00 N ATOM 0 H ARG A 27 59.963 -19.676 28.042 1.00 0.00 H new ATOM 0 HA ARG A 27 59.989 -21.075 25.525 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.076 -19.510 27.086 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.425 -20.284 25.554 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.621 -18.918 24.466 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.309 -18.127 25.999 1.00 0.00 H new ATOM 0 HD2 ARG A 27 62.545 -17.122 26.009 1.00 0.00 H new ATOM 0 HD3 ARG A 27 63.017 -18.044 24.596 1.00 0.00 H new ATOM 0 HE ARG A 27 60.944 -16.733 23.533 1.00 0.00 H new ATOM 0 HH11 ARG A 27 63.288 -15.362 25.846 1.00 0.00 H new ATOM 0 HH12 ARG A 27 63.199 -13.754 25.120 1.00 0.00 H new ATOM 0 HH21 ARG A 27 60.921 -14.703 22.608 1.00 0.00 H new ATOM 0 HH22 ARG A 27 61.872 -13.387 23.306 1.00 0.00 H new ATOM 438 N VAL A 28 60.527 -23.336 26.463 1.00 0.00 N ATOM 439 CA VAL A 28 61.011 -24.722 26.597 1.00 0.00 C ATOM 440 C VAL A 28 61.282 -25.302 25.196 1.00 0.00 C ATOM 441 O VAL A 28 60.768 -24.790 24.206 1.00 0.00 O ATOM 442 CB VAL A 28 59.956 -25.627 27.345 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.787 -25.199 28.820 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.591 -25.625 26.607 1.00 0.00 C ATOM 0 H VAL A 28 59.606 -23.279 26.029 1.00 0.00 H new ATOM 0 HA VAL A 28 61.928 -24.711 27.186 1.00 0.00 H new ATOM 0 HB VAL A 28 60.340 -26.647 27.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.053 -25.844 29.304 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.743 -25.286 29.336 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.445 -24.165 28.862 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.885 -26.257 27.146 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.204 -24.607 26.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.724 -26.010 25.596 1.00 0.00 H new ATOM 454 N ASN A 29 62.078 -26.380 25.132 1.00 0.00 N ATOM 455 CA ASN A 29 62.355 -27.113 23.880 1.00 0.00 C ATOM 456 C ASN A 29 61.075 -27.866 23.410 1.00 0.00 C ATOM 457 O ASN A 29 60.156 -28.082 24.209 1.00 0.00 O ATOM 458 CB ASN A 29 63.548 -28.088 24.122 1.00 0.00 C ATOM 459 CG ASN A 29 64.042 -28.811 22.864 1.00 0.00 C ATOM 460 OD1 ASN A 29 63.914 -28.302 21.752 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.621 -29.992 23.026 1.00 0.00 N ATOM 0 H ASN A 29 62.550 -26.772 25.947 1.00 0.00 H new ATOM 0 HA ASN A 29 62.632 -26.420 23.086 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.377 -27.527 24.553 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.249 -28.832 24.860 1.00 0.00 H new ATOM 0 HD21 ASN A 29 64.974 -30.502 22.216 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.714 -30.391 23.960 1.00 0.00 H new ATOM 468 N SER A 30 61.032 -28.241 22.109 1.00 0.00 N ATOM 469 CA SER A 30 59.901 -28.995 21.482 1.00 0.00 C ATOM 470 C SER A 30 59.474 -30.260 22.273 1.00 0.00 C ATOM 471 O SER A 30 58.319 -30.679 22.197 1.00 0.00 O ATOM 472 CB SER A 30 60.289 -29.401 20.040 1.00 0.00 C ATOM 473 OG SER A 30 60.690 -28.282 19.276 1.00 0.00 O ATOM 0 H SER A 30 61.784 -28.031 21.453 1.00 0.00 H new ATOM 0 HA SER A 30 59.044 -28.322 21.486 1.00 0.00 H new ATOM 0 HB2 SER A 30 61.099 -30.130 20.072 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.441 -29.887 19.557 1.00 0.00 H new ATOM 0 HG SER A 30 61.108 -28.587 18.444 1.00 0.00 H new ATOM 479 N GLN A 31 60.428 -30.853 23.020 1.00 0.00 N ATOM 480 CA GLN A 31 60.184 -32.050 23.866 1.00 0.00 C ATOM 481 C GLN A 31 59.062 -31.800 24.900 1.00 0.00 C ATOM 482 O GLN A 31 58.288 -32.702 25.237 1.00 0.00 O ATOM 483 CB GLN A 31 61.497 -32.460 24.583 1.00 0.00 C ATOM 484 CG GLN A 31 62.678 -32.764 23.631 1.00 0.00 C ATOM 485 CD GLN A 31 62.404 -33.924 22.663 1.00 0.00 C ATOM 486 OE1 GLN A 31 62.671 -35.081 22.974 1.00 0.00 O ATOM 487 NE2 GLN A 31 61.883 -33.620 21.481 1.00 0.00 N ATOM 0 H GLN A 31 61.391 -30.519 23.057 1.00 0.00 H new ATOM 0 HA GLN A 31 59.855 -32.862 23.217 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.791 -31.660 25.262 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.303 -33.341 25.194 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.909 -31.868 23.055 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.562 -32.998 24.225 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.672 -32.649 21.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 61.694 -34.357 20.802 1.00 0.00 H new ATOM 496 N ALA A 32 59.003 -30.550 25.390 1.00 0.00 N ATOM 497 CA ALA A 32 57.973 -30.080 26.333 1.00 0.00 C ATOM 498 C ALA A 32 56.992 -29.110 25.626 1.00 0.00 C ATOM 499 O ALA A 32 56.562 -28.110 26.215 1.00 0.00 O ATOM 500 CB ALA A 32 58.663 -29.421 27.551 1.00 0.00 C ATOM 0 H ALA A 32 59.678 -29.828 25.139 1.00 0.00 H new ATOM 0 HA ALA A 32 57.383 -30.924 26.689 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.906 -29.071 28.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.305 -30.151 28.044 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.265 -28.576 27.215 1.00 0.00 H new ATOM 506 N LEU A 33 56.616 -29.449 24.360 1.00 0.00 N ATOM 507 CA LEU A 33 55.707 -28.626 23.500 1.00 0.00 C ATOM 508 C LEU A 33 54.377 -28.197 24.184 1.00 0.00 C ATOM 509 O LEU A 33 53.727 -27.257 23.722 1.00 0.00 O ATOM 510 CB LEU A 33 55.369 -29.349 22.155 1.00 0.00 C ATOM 511 CG LEU A 33 54.443 -30.624 22.232 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.865 -30.978 20.847 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.180 -31.845 22.841 1.00 0.00 C ATOM 0 H LEU A 33 56.935 -30.303 23.903 1.00 0.00 H new ATOM 0 HA LEU A 33 56.279 -27.718 23.310 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.892 -28.625 21.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.308 -29.642 21.684 1.00 0.00 H new ATOM 0 HG LEU A 33 53.617 -30.373 22.898 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.231 -31.861 20.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.274 -30.141 20.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.681 -31.183 20.154 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.503 -32.699 22.874 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.046 -32.091 22.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.510 -31.604 23.852 1.00 0.00 H new ATOM 525 N LEU A 34 53.965 -28.897 25.251 1.00 0.00 N ATOM 526 CA LEU A 34 52.799 -28.509 26.077 1.00 0.00 C ATOM 527 C LEU A 34 53.186 -28.567 27.560 1.00 0.00 C ATOM 528 O LEU A 34 53.029 -27.580 28.306 1.00 0.00 O ATOM 529 CB LEU A 34 51.578 -29.432 25.778 1.00 0.00 C ATOM 530 CG LEU A 34 50.940 -29.303 24.350 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.787 -30.311 24.151 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.462 -27.855 24.088 1.00 0.00 C ATOM 0 H LEU A 34 54.427 -29.749 25.570 1.00 0.00 H new ATOM 0 HA LEU A 34 52.505 -27.489 25.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.889 -30.467 25.921 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.805 -29.226 26.518 1.00 0.00 H new ATOM 0 HG LEU A 34 51.714 -29.543 23.621 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.369 -30.193 23.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.167 -31.326 24.268 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.010 -30.126 24.893 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.024 -27.791 23.092 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.715 -27.578 24.832 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.310 -27.174 24.155 1.00 0.00 H new ATOM 544 N GLY A 35 53.699 -29.736 27.971 1.00 0.00 N ATOM 545 CA GLY A 35 54.164 -29.957 29.341 1.00 0.00 C ATOM 546 C GLY A 35 53.029 -29.927 30.370 1.00 0.00 C ATOM 547 O GLY A 35 51.918 -30.376 30.058 1.00 0.00 O ATOM 0 H GLY A 35 53.801 -30.549 27.364 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.671 -30.920 29.396 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.899 -29.194 29.597 1.00 0.00 H new ATOM 551 N PRO A 36 53.269 -29.394 31.616 1.00 0.00 N ATOM 552 CA PRO A 36 52.212 -29.278 32.654 1.00 0.00 C ATOM 553 C PRO A 36 51.291 -28.053 32.423 1.00 0.00 C ATOM 554 O PRO A 36 50.226 -27.936 33.041 1.00 0.00 O ATOM 555 CB PRO A 36 53.036 -29.131 33.950 1.00 0.00 C ATOM 556 CG PRO A 36 54.265 -28.373 33.516 1.00 0.00 C ATOM 557 CD PRO A 36 54.580 -28.867 32.110 1.00 0.00 C ATOM 0 HA PRO A 36 51.528 -30.126 32.662 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.482 -28.588 34.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.294 -30.103 34.371 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.084 -27.298 33.522 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.099 -28.560 34.192 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.952 -28.062 31.477 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.345 -29.643 32.121 1.00 0.00 H new ATOM 565 N ASP A 37 51.716 -27.160 31.522 1.00 0.00 N ATOM 566 CA ASP A 37 51.034 -25.887 31.246 1.00 0.00 C ATOM 567 C ASP A 37 49.922 -26.085 30.204 1.00 0.00 C ATOM 568 O ASP A 37 48.814 -25.551 30.353 1.00 0.00 O ATOM 569 CB ASP A 37 52.067 -24.848 30.742 1.00 0.00 C ATOM 570 CG ASP A 37 53.219 -24.623 31.744 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.061 -23.798 32.674 1.00 0.00 O ATOM 572 OD2 ASP A 37 54.283 -25.277 31.615 1.00 0.00 O ATOM 0 H ASP A 37 52.553 -27.301 30.956 1.00 0.00 H new ATOM 0 HA ASP A 37 50.575 -25.522 32.165 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.479 -25.183 29.790 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.562 -23.900 30.555 1.00 0.00 H new ATOM 577 N GLY A 38 50.232 -26.867 29.152 1.00 0.00 N ATOM 578 CA GLY A 38 49.319 -27.039 28.011 1.00 0.00 C ATOM 579 C GLY A 38 49.356 -25.860 27.045 1.00 0.00 C ATOM 580 O GLY A 38 48.619 -25.836 26.065 1.00 0.00 O ATOM 0 H GLY A 38 51.106 -27.387 29.071 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.582 -27.951 27.475 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.302 -27.169 28.381 1.00 0.00 H new ATOM 584 N LYS A 39 50.232 -24.894 27.324 1.00 0.00 N ATOM 585 CA LYS A 39 50.406 -23.680 26.529 1.00 0.00 C ATOM 586 C LYS A 39 51.780 -23.098 26.872 1.00 0.00 C ATOM 587 O LYS A 39 52.005 -22.684 28.006 1.00 0.00 O ATOM 588 CB LYS A 39 49.245 -22.653 26.779 1.00 0.00 C ATOM 589 CG LYS A 39 48.918 -22.356 28.265 1.00 0.00 C ATOM 590 CD LYS A 39 47.714 -21.403 28.450 1.00 0.00 C ATOM 591 CE LYS A 39 46.373 -22.022 28.010 1.00 0.00 C ATOM 592 NZ LYS A 39 45.971 -23.171 28.866 1.00 0.00 N ATOM 0 H LYS A 39 50.856 -24.936 28.130 1.00 0.00 H new ATOM 0 HA LYS A 39 50.361 -23.914 25.465 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.503 -21.714 26.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.343 -23.028 26.296 1.00 0.00 H new ATOM 0 HG2 LYS A 39 48.711 -23.295 28.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 49.795 -21.918 28.742 1.00 0.00 H new ATOM 0 HD2 LYS A 39 47.646 -21.114 29.499 1.00 0.00 H new ATOM 0 HD3 LYS A 39 47.890 -20.491 27.879 1.00 0.00 H new ATOM 0 HE2 LYS A 39 45.596 -21.259 28.042 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.451 -22.354 26.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 45.018 -23.488 28.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 46.645 -23.952 28.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 45.968 -22.877 29.863 1.00 0.00 H new ATOM 606 N VAL A 40 52.728 -23.170 25.919 1.00 0.00 N ATOM 607 CA VAL A 40 54.129 -22.723 26.116 1.00 0.00 C ATOM 608 C VAL A 40 54.731 -22.195 24.799 1.00 0.00 C ATOM 609 O VAL A 40 54.106 -22.266 23.733 1.00 0.00 O ATOM 610 CB VAL A 40 55.064 -23.883 26.661 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.693 -24.334 28.092 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.078 -25.083 25.693 1.00 0.00 C ATOM 0 H VAL A 40 52.548 -23.540 24.986 1.00 0.00 H new ATOM 0 HA VAL A 40 54.088 -21.927 26.859 1.00 0.00 H new ATOM 0 HB VAL A 40 56.070 -23.467 26.717 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.368 -25.129 28.409 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.782 -23.489 28.774 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.667 -24.703 28.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.726 -25.864 26.091 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.066 -25.473 25.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.451 -24.762 24.721 1.00 0.00 H new ATOM 622 N ILE A 41 55.964 -21.668 24.904 1.00 0.00 N ATOM 623 CA ILE A 41 56.783 -21.260 23.761 1.00 0.00 C ATOM 624 C ILE A 41 57.806 -22.386 23.433 1.00 0.00 C ATOM 625 O ILE A 41 58.730 -22.642 24.204 1.00 0.00 O ATOM 626 CB ILE A 41 57.537 -19.913 24.062 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.543 -18.775 24.462 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.402 -19.499 22.857 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.204 -17.442 24.805 1.00 0.00 C ATOM 0 H ILE A 41 56.422 -21.513 25.802 1.00 0.00 H new ATOM 0 HA ILE A 41 56.132 -21.096 22.902 1.00 0.00 H new ATOM 0 HB ILE A 41 58.195 -20.080 24.915 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.843 -18.617 23.641 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.959 -19.107 25.320 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.917 -18.565 23.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.137 -20.278 22.652 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.766 -19.361 21.983 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.438 -16.713 25.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.882 -17.578 25.647 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.765 -17.081 23.943 1.00 0.00 H new ATOM 641 N ILE A 42 57.581 -23.070 22.309 1.00 0.00 N ATOM 642 CA ILE A 42 58.453 -24.124 21.771 1.00 0.00 C ATOM 643 C ILE A 42 59.749 -23.515 21.213 1.00 0.00 C ATOM 644 O ILE A 42 59.707 -22.512 20.509 1.00 0.00 O ATOM 645 CB ILE A 42 57.715 -24.935 20.620 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.568 -25.844 21.163 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.692 -25.784 19.771 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.458 -25.134 21.900 1.00 0.00 C ATOM 0 H ILE A 42 56.760 -22.902 21.727 1.00 0.00 H new ATOM 0 HA ILE A 42 58.695 -24.806 22.586 1.00 0.00 H new ATOM 0 HB ILE A 42 57.273 -24.174 19.978 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.132 -26.386 20.324 1.00 0.00 H new ATOM 0 HG13 ILE A 42 57.004 -26.587 21.831 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.135 -26.317 19.000 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.428 -25.131 19.301 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.202 -26.503 20.413 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.718 -25.862 22.232 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.870 -24.615 22.766 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.984 -24.412 21.236 1.00 0.00 H new ATOM 660 N ASP A 43 60.877 -24.150 21.540 1.00 0.00 N ATOM 661 CA ASP A 43 62.192 -23.867 20.947 1.00 0.00 C ATOM 662 C ASP A 43 62.501 -24.988 19.945 1.00 0.00 C ATOM 663 O ASP A 43 62.522 -26.175 20.324 1.00 0.00 O ATOM 664 CB ASP A 43 63.276 -23.784 22.058 1.00 0.00 C ATOM 665 CG ASP A 43 64.714 -23.725 21.514 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.069 -22.751 20.818 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.494 -24.669 21.767 1.00 0.00 O ATOM 0 H ASP A 43 60.905 -24.892 22.239 1.00 0.00 H new ATOM 0 HA ASP A 43 62.187 -22.906 20.433 1.00 0.00 H new ATOM 0 HB2 ASP A 43 63.091 -22.900 22.669 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.180 -24.650 22.713 1.00 0.00 H new ATOM 672 N HIS A 44 62.703 -24.601 18.669 1.00 0.00 N ATOM 673 CA HIS A 44 62.936 -25.545 17.564 1.00 0.00 C ATOM 674 C HIS A 44 63.601 -24.815 16.377 1.00 0.00 C ATOM 675 O HIS A 44 62.986 -23.920 15.789 1.00 0.00 O ATOM 676 CB HIS A 44 61.588 -26.177 17.131 1.00 0.00 C ATOM 677 CG HIS A 44 61.711 -27.358 16.206 1.00 0.00 C ATOM 678 ND1 HIS A 44 62.005 -28.623 16.661 1.00 0.00 N ATOM 679 CD2 HIS A 44 61.571 -27.469 14.865 1.00 0.00 C ATOM 680 CE1 HIS A 44 62.050 -29.455 15.643 1.00 0.00 C ATOM 681 NE2 HIS A 44 61.796 -28.785 14.537 1.00 0.00 N ATOM 0 H HIS A 44 62.709 -23.623 18.378 1.00 0.00 H new ATOM 0 HA HIS A 44 63.606 -26.338 17.898 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.046 -26.488 18.024 1.00 0.00 H new ATOM 0 HB3 HIS A 44 60.985 -25.412 16.642 1.00 0.00 H new ATOM 0 HD2 HIS A 44 61.327 -26.671 14.179 1.00 0.00 H new ATOM 0 HE1 HIS A 44 62.260 -30.513 15.704 1.00 0.00 H new ATOM 0 HE2 HIS A 44 61.771 -29.177 13.596 1.00 0.00 H new ATOM 690 N ASN A 45 64.859 -25.214 16.056 1.00 0.00 N ATOM 691 CA ASN A 45 65.688 -24.620 14.972 1.00 0.00 C ATOM 692 C ASN A 45 65.982 -23.126 15.227 1.00 0.00 C ATOM 693 O ASN A 45 66.201 -22.345 14.293 1.00 0.00 O ATOM 694 CB ASN A 45 65.047 -24.846 13.568 1.00 0.00 C ATOM 695 CG ASN A 45 65.029 -26.314 13.147 1.00 0.00 C ATOM 696 OD1 ASN A 45 63.977 -26.946 13.063 1.00 0.00 O ATOM 697 ND2 ASN A 45 66.210 -26.871 12.939 1.00 0.00 N ATOM 0 H ASN A 45 65.334 -25.969 16.550 1.00 0.00 H new ATOM 0 HA ASN A 45 66.645 -25.142 14.980 1.00 0.00 H new ATOM 0 HB2 ASN A 45 64.026 -24.464 13.575 1.00 0.00 H new ATOM 0 HB3 ASN A 45 65.598 -24.268 12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 45 66.272 -27.860 12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 45 67.059 -26.311 13.019 1.00 0.00 H new ATOM 704 N GLY A 46 66.010 -22.756 16.522 1.00 0.00 N ATOM 705 CA GLY A 46 66.195 -21.364 16.959 1.00 0.00 C ATOM 706 C GLY A 46 64.916 -20.528 16.895 1.00 0.00 C ATOM 707 O GLY A 46 64.890 -19.382 17.367 1.00 0.00 O ATOM 0 H GLY A 46 65.905 -23.416 17.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.571 -21.360 17.982 1.00 0.00 H new ATOM 0 HA3 GLY A 46 66.957 -20.895 16.337 1.00 0.00 H new ATOM 711 N GLN A 47 63.858 -21.106 16.312 1.00 0.00 N ATOM 712 CA GLN A 47 62.568 -20.437 16.110 1.00 0.00 C ATOM 713 C GLN A 47 61.660 -20.757 17.298 1.00 0.00 C ATOM 714 O GLN A 47 61.618 -21.909 17.756 1.00 0.00 O ATOM 715 CB GLN A 47 61.925 -20.947 14.796 1.00 0.00 C ATOM 716 CG GLN A 47 62.853 -20.892 13.570 1.00 0.00 C ATOM 717 CD GLN A 47 62.305 -21.617 12.338 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.094 -21.685 12.111 1.00 0.00 O ATOM 719 NE2 GLN A 47 63.205 -22.172 11.536 1.00 0.00 N ATOM 0 H GLN A 47 63.875 -22.064 15.963 1.00 0.00 H new ATOM 0 HA GLN A 47 62.709 -19.359 16.038 1.00 0.00 H new ATOM 0 HB2 GLN A 47 61.597 -21.976 14.942 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.034 -20.355 14.588 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.036 -19.849 13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 47 63.816 -21.328 13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 47 64.198 -22.096 11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 47 62.903 -22.674 10.701 1.00 0.00 H new ATOM 728 N GLU A 48 60.937 -19.744 17.783 1.00 0.00 N ATOM 729 CA GLU A 48 60.050 -19.876 18.939 1.00 0.00 C ATOM 730 C GLU A 48 58.581 -19.815 18.483 1.00 0.00 C ATOM 731 O GLU A 48 58.208 -18.935 17.699 1.00 0.00 O ATOM 732 CB GLU A 48 60.394 -18.796 20.002 1.00 0.00 C ATOM 733 CG GLU A 48 60.144 -17.333 19.592 1.00 0.00 C ATOM 734 CD GLU A 48 60.446 -16.327 20.710 1.00 0.00 C ATOM 735 OE1 GLU A 48 59.817 -16.426 21.788 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.286 -15.425 20.520 1.00 0.00 O ATOM 0 H GLU A 48 60.951 -18.806 17.382 1.00 0.00 H new ATOM 0 HA GLU A 48 60.199 -20.846 19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.814 -19.004 20.901 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.445 -18.902 20.270 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.760 -17.096 18.724 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.104 -17.222 19.285 1.00 0.00 H new ATOM 743 N TYR A 49 57.756 -20.791 18.923 1.00 0.00 N ATOM 744 CA TYR A 49 56.320 -20.861 18.556 1.00 0.00 C ATOM 745 C TYR A 49 55.467 -20.968 19.827 1.00 0.00 C ATOM 746 O TYR A 49 55.680 -21.875 20.621 1.00 0.00 O ATOM 747 CB TYR A 49 55.989 -22.091 17.641 1.00 0.00 C ATOM 748 CG TYR A 49 57.116 -22.597 16.726 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.642 -21.817 15.689 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.658 -23.871 16.906 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.659 -22.301 14.882 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.662 -24.350 16.109 1.00 0.00 C ATOM 753 CZ TYR A 49 59.166 -23.567 15.099 1.00 0.00 C ATOM 754 OH TYR A 49 60.189 -24.056 14.309 1.00 0.00 O ATOM 0 H TYR A 49 58.061 -21.547 19.537 1.00 0.00 H new ATOM 0 HA TYR A 49 56.093 -19.951 18.001 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.675 -22.916 18.281 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.135 -21.829 17.016 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.250 -20.826 15.516 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.274 -24.497 17.698 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.054 -21.689 14.085 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.057 -25.341 16.274 1.00 0.00 H new ATOM 0 HH TYR A 49 61.022 -24.072 14.825 1.00 0.00 H new ATOM 764 N LEU A 50 54.497 -20.072 20.000 1.00 0.00 N ATOM 765 CA LEU A 50 53.491 -20.182 21.071 1.00 0.00 C ATOM 766 C LEU A 50 52.450 -21.255 20.648 1.00 0.00 C ATOM 767 O LEU A 50 51.585 -20.986 19.814 1.00 0.00 O ATOM 768 CB LEU A 50 52.849 -18.774 21.327 1.00 0.00 C ATOM 769 CG LEU A 50 51.937 -18.578 22.603 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.565 -19.278 22.485 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.675 -19.005 23.901 1.00 0.00 C ATOM 0 H LEU A 50 54.381 -19.250 19.408 1.00 0.00 H new ATOM 0 HA LEU A 50 53.938 -20.500 22.013 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.659 -18.047 21.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.252 -18.518 20.451 1.00 0.00 H new ATOM 0 HG LEU A 50 51.731 -17.509 22.663 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.989 -19.104 23.394 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.023 -18.875 21.629 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.714 -20.349 22.349 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.018 -18.857 24.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.951 -20.057 23.833 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.574 -18.401 24.024 1.00 0.00 H new ATOM 783 N LEU A 51 52.575 -22.473 21.191 1.00 0.00 N ATOM 784 CA LEU A 51 51.574 -23.545 21.018 1.00 0.00 C ATOM 785 C LEU A 51 50.702 -23.560 22.257 1.00 0.00 C ATOM 786 O LEU A 51 51.217 -23.668 23.374 1.00 0.00 O ATOM 787 CB LEU A 51 52.237 -24.931 20.815 1.00 0.00 C ATOM 788 CG LEU A 51 51.288 -26.174 20.689 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.340 -26.065 19.480 1.00 0.00 C ATOM 790 CD2 LEU A 51 52.103 -27.486 20.639 1.00 0.00 C ATOM 0 H LEU A 51 53.373 -22.748 21.764 1.00 0.00 H new ATOM 0 HA LEU A 51 50.984 -23.346 20.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.850 -24.883 19.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.913 -25.107 21.652 1.00 0.00 H new ATOM 0 HG LEU A 51 50.662 -26.191 21.581 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.704 -26.949 19.436 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.719 -25.175 19.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.926 -25.994 18.564 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.423 -28.334 20.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.771 -27.467 19.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.690 -27.585 21.552 1.00 0.00 H new ATOM 802 N ARG A 52 49.393 -23.445 22.061 1.00 0.00 N ATOM 803 CA ARG A 52 48.426 -23.395 23.151 1.00 0.00 C ATOM 804 C ARG A 52 47.286 -24.371 22.890 1.00 0.00 C ATOM 805 O ARG A 52 46.838 -24.523 21.752 1.00 0.00 O ATOM 806 CB ARG A 52 47.896 -21.946 23.313 1.00 0.00 C ATOM 807 CG ARG A 52 47.185 -21.383 22.063 1.00 0.00 C ATOM 808 CD ARG A 52 46.746 -19.926 22.226 1.00 0.00 C ATOM 809 NE ARG A 52 45.721 -19.751 23.275 1.00 0.00 N ATOM 810 CZ ARG A 52 45.446 -18.594 23.915 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.164 -17.494 23.689 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.463 -18.551 24.801 1.00 0.00 N ATOM 0 H ARG A 52 48.970 -23.383 21.135 1.00 0.00 H new ATOM 0 HA ARG A 52 48.913 -23.690 24.080 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.203 -21.918 24.154 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.731 -21.293 23.566 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.854 -21.461 21.206 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.312 -21.997 21.842 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.615 -19.314 22.468 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.354 -19.561 21.277 1.00 0.00 H new ATOM 0 HE ARG A 52 45.176 -20.572 23.538 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.936 -17.517 23.023 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.941 -16.629 24.182 1.00 0.00 H new ATOM 0 HH21 ARG A 52 43.917 -19.390 24.998 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.252 -17.679 25.287 1.00 0.00 H new ATOM 826 N LYS A 53 46.838 -25.046 23.950 1.00 0.00 N ATOM 827 CA LYS A 53 45.592 -25.794 23.945 1.00 0.00 C ATOM 828 C LYS A 53 44.453 -24.784 24.066 1.00 0.00 C ATOM 829 O LYS A 53 44.346 -24.091 25.089 1.00 0.00 O ATOM 830 CB LYS A 53 45.543 -26.854 25.085 1.00 0.00 C ATOM 831 CG LYS A 53 46.544 -28.022 24.915 1.00 0.00 C ATOM 832 CD LYS A 53 46.418 -29.113 26.003 1.00 0.00 C ATOM 833 CE LYS A 53 45.050 -29.810 25.989 1.00 0.00 C ATOM 834 NZ LYS A 53 44.974 -30.906 26.989 1.00 0.00 N ATOM 0 H LYS A 53 47.337 -25.086 24.839 1.00 0.00 H new ATOM 0 HA LYS A 53 45.501 -26.358 23.017 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.741 -26.358 26.035 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.534 -27.262 25.142 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.393 -28.478 23.937 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.559 -27.624 24.928 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.201 -29.857 25.858 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.582 -28.664 26.983 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.268 -29.078 26.193 1.00 0.00 H new ATOM 0 HE3 LYS A 53 44.858 -30.213 24.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.035 -31.350 26.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 45.703 -31.618 26.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.131 -30.519 27.941 1.00 0.00 H new ATOM 848 N THR A 54 43.660 -24.651 22.994 1.00 0.00 N ATOM 849 CA THR A 54 42.521 -23.737 22.971 1.00 0.00 C ATOM 850 C THR A 54 41.437 -24.302 23.902 1.00 0.00 C ATOM 851 O THR A 54 41.290 -25.536 23.998 1.00 0.00 O ATOM 852 CB THR A 54 41.944 -23.531 21.522 1.00 0.00 C ATOM 853 OG1 THR A 54 41.145 -24.655 21.128 1.00 0.00 O ATOM 854 CG2 THR A 54 43.058 -23.326 20.484 1.00 0.00 C ATOM 0 H THR A 54 43.792 -25.172 22.127 1.00 0.00 H new ATOM 0 HA THR A 54 42.853 -22.756 23.311 1.00 0.00 H new ATOM 0 HB THR A 54 41.329 -22.632 21.556 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.515 -24.380 20.429 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.615 -23.188 19.498 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.642 -22.444 20.747 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.708 -24.201 20.470 1.00 0.00 H new ATOM 862 N GLN A 55 40.690 -23.397 24.556 1.00 0.00 N ATOM 863 CA GLN A 55 39.614 -23.736 25.519 1.00 0.00 C ATOM 864 C GLN A 55 38.410 -24.413 24.817 1.00 0.00 C ATOM 865 O GLN A 55 37.498 -24.915 25.478 1.00 0.00 O ATOM 866 CB GLN A 55 39.167 -22.448 26.262 1.00 0.00 C ATOM 867 CG GLN A 55 40.324 -21.661 26.915 1.00 0.00 C ATOM 868 CD GLN A 55 39.912 -20.319 27.533 1.00 0.00 C ATOM 869 OE1 GLN A 55 40.683 -19.356 27.515 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.722 -20.244 28.118 1.00 0.00 N ATOM 0 H GLN A 55 40.814 -22.392 24.433 1.00 0.00 H new ATOM 0 HA GLN A 55 40.006 -24.454 26.240 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.651 -21.796 25.557 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.446 -22.718 27.033 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.776 -22.280 27.690 1.00 0.00 H new ATOM 0 HG3 GLN A 55 41.093 -21.480 26.164 1.00 0.00 H new ATOM 0 HE21 GLN A 55 38.102 -21.054 28.119 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.428 -19.376 28.566 1.00 0.00 H new ATOM 879 N ALA A 56 38.427 -24.409 23.466 1.00 0.00 N ATOM 880 CA ALA A 56 37.495 -25.184 22.621 1.00 0.00 C ATOM 881 C ALA A 56 37.946 -26.670 22.490 1.00 0.00 C ATOM 882 O ALA A 56 37.347 -27.443 21.723 1.00 0.00 O ATOM 883 CB ALA A 56 37.397 -24.523 21.232 1.00 0.00 C ATOM 0 H ALA A 56 39.097 -23.861 22.926 1.00 0.00 H new ATOM 0 HA ALA A 56 36.513 -25.184 23.095 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.710 -25.092 20.606 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.029 -23.503 21.340 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.383 -24.506 20.767 1.00 0.00 H new ATOM 889 N GLY A 57 39.015 -27.042 23.231 1.00 0.00 N ATOM 890 CA GLY A 57 39.535 -28.411 23.267 1.00 0.00 C ATOM 891 C GLY A 57 40.398 -28.744 22.057 1.00 0.00 C ATOM 892 O GLY A 57 40.314 -29.852 21.511 1.00 0.00 O ATOM 0 H GLY A 57 39.537 -26.392 23.819 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.121 -28.549 24.175 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.701 -29.111 23.317 1.00 0.00 H new ATOM 896 N LYS A 58 41.237 -27.784 21.631 1.00 0.00 N ATOM 897 CA LYS A 58 42.069 -27.925 20.401 1.00 0.00 C ATOM 898 C LYS A 58 43.518 -27.486 20.680 1.00 0.00 C ATOM 899 O LYS A 58 43.891 -27.280 21.828 1.00 0.00 O ATOM 900 CB LYS A 58 41.455 -27.075 19.247 1.00 0.00 C ATOM 901 CG LYS A 58 40.064 -27.545 18.747 1.00 0.00 C ATOM 902 CD LYS A 58 39.314 -26.452 17.938 1.00 0.00 C ATOM 903 CE LYS A 58 40.141 -25.871 16.778 1.00 0.00 C ATOM 904 NZ LYS A 58 39.439 -24.753 16.089 1.00 0.00 N ATOM 0 H LYS A 58 41.364 -26.895 22.115 1.00 0.00 H new ATOM 0 HA LYS A 58 42.081 -28.973 20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.372 -26.042 19.583 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.147 -27.082 18.405 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.187 -28.431 18.124 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.456 -27.839 19.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.391 -26.875 17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.030 -25.644 18.612 1.00 0.00 H new ATOM 0 HE2 LYS A 58 41.098 -25.516 17.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.357 -26.660 16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 40.034 -24.394 15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.537 -25.096 15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 39.255 -23.987 16.768 1.00 0.00 H new ATOM 918 N LEU A 59 44.336 -27.392 19.611 1.00 0.00 N ATOM 919 CA LEU A 59 45.682 -26.764 19.649 1.00 0.00 C ATOM 920 C LEU A 59 45.699 -25.505 18.766 1.00 0.00 C ATOM 921 O LEU A 59 44.800 -25.306 17.937 1.00 0.00 O ATOM 922 CB LEU A 59 46.782 -27.763 19.175 1.00 0.00 C ATOM 923 CG LEU A 59 47.194 -28.870 20.193 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.265 -29.810 19.602 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.683 -28.249 21.518 1.00 0.00 C ATOM 0 H LEU A 59 44.084 -27.750 18.690 1.00 0.00 H new ATOM 0 HA LEU A 59 45.898 -26.485 20.680 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.433 -28.249 18.264 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.672 -27.192 18.911 1.00 0.00 H new ATOM 0 HG LEU A 59 46.307 -29.467 20.403 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.529 -30.569 20.338 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.872 -30.293 18.708 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.152 -29.233 19.342 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.964 -29.043 22.210 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.547 -27.613 21.325 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.884 -27.651 21.957 1.00 0.00 H new ATOM 937 N LEU A 60 46.725 -24.653 18.958 1.00 0.00 N ATOM 938 CA LEU A 60 46.957 -23.476 18.114 1.00 0.00 C ATOM 939 C LEU A 60 48.463 -23.146 18.111 1.00 0.00 C ATOM 940 O LEU A 60 48.988 -22.636 19.107 1.00 0.00 O ATOM 941 CB LEU A 60 46.126 -22.269 18.628 1.00 0.00 C ATOM 942 CG LEU A 60 45.875 -21.143 17.589 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.963 -21.653 16.452 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.300 -19.890 18.268 1.00 0.00 C ATOM 0 H LEU A 60 47.413 -24.766 19.703 1.00 0.00 H new ATOM 0 HA LEU A 60 46.637 -23.689 17.094 1.00 0.00 H new ATOM 0 HB2 LEU A 60 45.162 -22.637 18.980 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.637 -21.838 19.489 1.00 0.00 H new ATOM 0 HG LEU A 60 46.828 -20.858 17.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.797 -20.852 15.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.441 -22.496 15.953 1.00 0.00 H new ATOM 0 HD13 LEU A 60 44.007 -21.972 16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 60 45.133 -19.115 17.520 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.355 -20.139 18.750 1.00 0.00 H new ATOM 0 HD23 LEU A 60 46.004 -19.526 19.016 1.00 0.00 H new ATOM 956 N LEU A 61 49.144 -23.508 17.010 1.00 0.00 N ATOM 957 CA LEU A 61 50.586 -23.260 16.805 1.00 0.00 C ATOM 958 C LEU A 61 50.730 -21.897 16.100 1.00 0.00 C ATOM 959 O LEU A 61 50.457 -21.772 14.902 1.00 0.00 O ATOM 960 CB LEU A 61 51.202 -24.446 15.972 1.00 0.00 C ATOM 961 CG LEU A 61 52.773 -24.617 15.915 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.482 -23.515 15.094 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.371 -24.722 17.334 1.00 0.00 C ATOM 0 H LEU A 61 48.704 -23.988 16.225 1.00 0.00 H new ATOM 0 HA LEU A 61 51.132 -23.219 17.747 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.786 -25.373 16.365 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.846 -24.346 14.947 1.00 0.00 H new ATOM 0 HG LEU A 61 52.956 -25.553 15.387 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.557 -23.694 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 61 53.114 -23.532 14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 53.275 -22.541 15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.453 -24.839 17.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 53.139 -23.817 17.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.945 -25.585 17.846 1.00 0.00 H new ATOM 975 N THR A 62 51.093 -20.873 16.879 1.00 0.00 N ATOM 976 CA THR A 62 51.303 -19.502 16.389 1.00 0.00 C ATOM 977 C THR A 62 52.762 -19.097 16.630 1.00 0.00 C ATOM 978 O THR A 62 53.405 -19.633 17.527 1.00 0.00 O ATOM 979 CB THR A 62 50.343 -18.497 17.113 1.00 0.00 C ATOM 980 OG1 THR A 62 50.564 -18.533 18.538 1.00 0.00 O ATOM 981 CG2 THR A 62 48.859 -18.797 16.825 1.00 0.00 C ATOM 0 H THR A 62 51.252 -20.972 17.882 1.00 0.00 H new ATOM 0 HA THR A 62 51.083 -19.472 15.322 1.00 0.00 H new ATOM 0 HB THR A 62 50.570 -17.505 16.722 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.855 -19.431 18.801 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.233 -18.074 17.348 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.675 -18.727 15.753 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.618 -19.802 17.170 1.00 0.00 H new ATOM 989 N LYS A 63 53.277 -18.169 15.814 1.00 0.00 N ATOM 990 CA LYS A 63 54.649 -17.640 15.950 1.00 0.00 C ATOM 991 C LYS A 63 54.719 -16.208 15.366 1.00 0.00 C ATOM 992 O LYS A 63 54.149 -15.967 14.280 1.00 0.00 O ATOM 993 CB LYS A 63 55.726 -18.570 15.292 1.00 0.00 C ATOM 994 CG LYS A 63 55.559 -18.877 13.777 1.00 0.00 C ATOM 995 CD LYS A 63 54.473 -19.941 13.462 1.00 0.00 C ATOM 996 CE LYS A 63 54.291 -20.183 11.954 1.00 0.00 C ATOM 997 NZ LYS A 63 55.562 -20.588 11.295 1.00 0.00 N ATOM 998 OXT LYS A 63 55.339 -15.327 15.996 1.00 0.00 O ATOM 0 H LYS A 63 52.757 -17.760 15.038 1.00 0.00 H new ATOM 0 HA LYS A 63 54.885 -17.608 17.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 56.705 -18.113 15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.732 -19.517 15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.309 -17.953 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 63 56.514 -19.220 13.379 1.00 0.00 H new ATOM 0 HD2 LYS A 63 54.741 -20.880 13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.523 -19.621 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.540 -20.958 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.913 -19.275 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 55.369 -20.871 10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 56.226 -19.788 11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 55.980 -21.389 11.810 1.00 0.00 H new TER 1012 LYS A 63