USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 36 SER OG : rot 180:sc= -1.2 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -116:sc= -0.125 (180deg=-0.219) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.112 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.329 (180deg=-0.0657!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc=-5.82e-05 F(o=-1.1,f=-5.8e-05) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.403 F(o=-1.4!,f=-0.4) USER MOD Single : A 17 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : A 22 GLN : amide:sc=-0.00668 X(o=-0.0067,f=-0.04) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.8! X(o=-2.8!,f=-2.4) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 150:sc= -0.161 (180deg=-0.671) USER MOD Single : A 37 SER OG : rot 63:sc= 1.63 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0.341 (180deg=0.193) USER MOD Single : A 51 THR OG1 : rot -16:sc= -0.708 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.00213 (180deg=-0.0893) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.72 (180deg=1.61) USER MOD Single : A 64 THR OG1 : rot 160:sc= -0.331 USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 0.993 (180deg=0.697) USER MOD Single : A 66 ASN : amide:sc= 0.178 K(o=0.18,f=-8.7!) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= -0.919! (180deg=-2!) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0051 (180deg=-0.0662) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.041) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.187 K(o=0.19,f=-2.9!) USER MOD Single : A 89 GLN : amide:sc= -0.849 K(o=-0.85,f=-6.1!) USER MOD Single : A 90 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.135 -0.134 -2.526 1.00 50.32 N ATOM 2 CA MET A 1 4.333 -1.387 -2.414 1.00 65.31 C ATOM 3 C MET A 1 5.185 -2.642 -2.692 1.00 4.03 C ATOM 4 O MET A 1 4.646 -3.724 -2.939 1.00 33.24 O ATOM 5 CB MET A 1 3.147 -1.345 -3.393 1.00 52.42 C ATOM 6 CG MET A 1 2.208 -0.165 -3.178 1.00 20.32 C ATOM 7 SD MET A 1 3.006 1.421 -3.495 1.00 33.24 S ATOM 8 CE MET A 1 3.369 1.287 -5.247 1.00 43.40 C ATOM 0 H1 MET A 1 4.520 0.645 -2.838 1.00 50.32 H new ATOM 0 H2 MET A 1 5.546 0.099 -1.600 1.00 50.32 H new ATOM 0 H3 MET A 1 5.898 -0.271 -3.219 1.00 50.32 H new ATOM 0 HA MET A 1 3.966 -1.448 -1.389 1.00 65.31 H new ATOM 0 HB2 MET A 1 3.532 -1.309 -4.412 1.00 52.42 H new ATOM 0 HB3 MET A 1 2.579 -2.270 -3.299 1.00 52.42 H new ATOM 0 HG2 MET A 1 1.343 -0.270 -3.833 1.00 20.32 H new ATOM 0 HG3 MET A 1 1.837 -0.183 -2.153 1.00 20.32 H new ATOM 0 HE1 MET A 1 3.527 2.282 -5.663 1.00 43.40 H new ATOM 0 HE2 MET A 1 4.269 0.688 -5.387 1.00 43.40 H new ATOM 0 HE3 MET A 1 2.532 0.809 -5.756 1.00 43.40 H new ATOM 20 N THR A 2 6.508 -2.504 -2.639 1.00 54.04 N ATOM 21 CA THR A 2 7.419 -3.621 -2.937 1.00 42.51 C ATOM 22 C THR A 2 7.681 -4.495 -1.697 1.00 74.21 C ATOM 23 O THR A 2 8.304 -4.047 -0.731 1.00 61.53 O ATOM 24 CB THR A 2 8.775 -3.109 -3.492 1.00 20.34 C ATOM 25 OG1 THR A 2 8.558 -2.322 -4.675 1.00 72.24 O ATOM 26 CG2 THR A 2 9.716 -4.265 -3.823 1.00 5.20 C ATOM 0 H THR A 2 6.978 -1.633 -2.393 1.00 54.04 H new ATOM 0 HA THR A 2 6.924 -4.228 -3.695 1.00 42.51 H new ATOM 0 HB THR A 2 9.238 -2.497 -2.718 1.00 20.34 H new ATOM 0 HG1 THR A 2 9.419 -2.002 -5.017 1.00 72.24 H new ATOM 0 HG21 THR A 2 10.656 -3.870 -4.209 1.00 5.20 H new ATOM 0 HG22 THR A 2 9.910 -4.846 -2.921 1.00 5.20 H new ATOM 0 HG23 THR A 2 9.255 -4.905 -4.575 1.00 5.20 H new ATOM 34 N ALA A 3 7.194 -5.740 -1.740 1.00 53.31 N ATOM 35 CA ALA A 3 7.402 -6.722 -0.662 1.00 3.21 C ATOM 36 C ALA A 3 6.734 -6.300 0.662 1.00 33.34 C ATOM 37 O ALA A 3 6.082 -5.258 0.747 1.00 1.11 O ATOM 38 CB ALA A 3 8.895 -6.982 -0.453 1.00 22.12 C ATOM 0 H ALA A 3 6.645 -6.098 -2.521 1.00 53.31 H new ATOM 0 HA ALA A 3 6.920 -7.647 -0.978 1.00 3.21 H new ATOM 0 HB1 ALA A 3 9.029 -7.710 0.347 1.00 22.12 H new ATOM 0 HB2 ALA A 3 9.329 -7.371 -1.374 1.00 22.12 H new ATOM 0 HB3 ALA A 3 9.392 -6.050 -0.183 1.00 22.12 H new ATOM 44 N ALA A 4 6.895 -7.129 1.690 1.00 1.43 N ATOM 45 CA ALA A 4 6.338 -6.849 3.018 1.00 50.02 C ATOM 46 C ALA A 4 7.281 -5.957 3.847 1.00 4.21 C ATOM 47 O ALA A 4 8.485 -5.902 3.581 1.00 43.23 O ATOM 48 CB ALA A 4 6.069 -8.162 3.749 1.00 15.24 C ATOM 0 H ALA A 4 7.410 -8.007 1.631 1.00 1.43 H new ATOM 0 HA ALA A 4 5.401 -6.307 2.890 1.00 50.02 H new ATOM 0 HB1 ALA A 4 5.655 -7.951 4.735 1.00 15.24 H new ATOM 0 HB2 ALA A 4 5.358 -8.758 3.177 1.00 15.24 H new ATOM 0 HB3 ALA A 4 7.002 -8.716 3.858 1.00 15.24 H new ATOM 54 N PRO A 5 6.749 -5.236 4.862 1.00 53.34 N ATOM 55 CA PRO A 5 7.578 -4.407 5.760 1.00 12.25 C ATOM 56 C PRO A 5 8.583 -5.244 6.575 1.00 65.10 C ATOM 57 O PRO A 5 9.629 -4.744 6.986 1.00 63.13 O ATOM 58 CB PRO A 5 6.551 -3.730 6.685 1.00 62.42 C ATOM 59 CG PRO A 5 5.326 -4.584 6.598 1.00 24.01 C ATOM 60 CD PRO A 5 5.314 -5.149 5.202 1.00 4.22 C ATOM 0 HA PRO A 5 8.192 -3.699 5.204 1.00 12.25 H new ATOM 0 HB2 PRO A 5 6.920 -3.673 7.709 1.00 62.42 H new ATOM 0 HB3 PRO A 5 6.344 -2.709 6.364 1.00 62.42 H new ATOM 0 HG2 PRO A 5 5.352 -5.381 7.341 1.00 24.01 H new ATOM 0 HG3 PRO A 5 4.427 -3.998 6.790 1.00 24.01 H new ATOM 0 HD2 PRO A 5 4.832 -6.126 5.167 1.00 4.22 H new ATOM 0 HD3 PRO A 5 4.775 -4.502 4.510 1.00 4.22 H new ATOM 68 N ALA A 6 8.233 -6.513 6.816 1.00 24.44 N ATOM 69 CA ALA A 6 9.121 -7.491 7.474 1.00 71.22 C ATOM 70 C ALA A 6 9.670 -7.008 8.833 1.00 21.15 C ATOM 71 O ALA A 6 9.165 -7.391 9.889 1.00 61.41 O ATOM 72 CB ALA A 6 10.263 -7.879 6.536 1.00 74.00 C ATOM 0 H ALA A 6 7.323 -6.896 6.561 1.00 24.44 H new ATOM 0 HA ALA A 6 8.512 -8.368 7.692 1.00 71.22 H new ATOM 0 HB1 ALA A 6 10.912 -8.601 7.032 1.00 74.00 H new ATOM 0 HB2 ALA A 6 9.854 -8.323 5.628 1.00 74.00 H new ATOM 0 HB3 ALA A 6 10.839 -6.991 6.278 1.00 74.00 H new ATOM 78 N SER A 7 10.708 -6.173 8.797 1.00 13.41 N ATOM 79 CA SER A 7 11.356 -5.673 10.020 1.00 72.25 C ATOM 80 C SER A 7 10.429 -4.743 10.823 1.00 41.01 C ATOM 81 O SER A 7 9.921 -3.753 10.291 1.00 73.10 O ATOM 82 CB SER A 7 12.651 -4.929 9.669 1.00 43.33 C ATOM 83 OG SER A 7 13.577 -5.786 9.019 1.00 22.15 O ATOM 0 H SER A 7 11.123 -5.825 7.933 1.00 13.41 H new ATOM 0 HA SER A 7 11.585 -6.539 10.642 1.00 72.25 H new ATOM 0 HB2 SER A 7 12.422 -4.081 9.024 1.00 43.33 H new ATOM 0 HB3 SER A 7 13.100 -4.527 10.577 1.00 43.33 H new ATOM 0 HG SER A 7 14.392 -5.285 8.805 1.00 22.15 H new ATOM 89 N PRO A 8 10.211 -5.048 12.123 1.00 52.33 N ATOM 90 CA PRO A 8 9.343 -4.246 13.015 1.00 70.23 C ATOM 91 C PRO A 8 9.595 -2.729 12.933 1.00 5.22 C ATOM 92 O PRO A 8 8.674 -1.929 13.111 1.00 10.52 O ATOM 93 CB PRO A 8 9.702 -4.777 14.406 1.00 34.24 C ATOM 94 CG PRO A 8 10.094 -6.196 14.171 1.00 44.11 C ATOM 95 CD PRO A 8 10.787 -6.213 12.831 1.00 0.13 C ATOM 0 HA PRO A 8 8.292 -4.349 12.745 1.00 70.23 H new ATOM 0 HB2 PRO A 8 10.518 -4.208 14.850 1.00 34.24 H new ATOM 0 HB3 PRO A 8 8.855 -4.706 15.089 1.00 34.24 H new ATOM 0 HG2 PRO A 8 10.757 -6.554 14.959 1.00 44.11 H new ATOM 0 HG3 PRO A 8 9.220 -6.848 14.168 1.00 44.11 H new ATOM 0 HD2 PRO A 8 11.868 -6.122 12.938 1.00 0.13 H new ATOM 0 HD3 PRO A 8 10.597 -7.142 12.294 1.00 0.13 H new ATOM 103 N GLN A 9 10.838 -2.335 12.656 1.00 12.11 N ATOM 104 CA GLN A 9 11.174 -0.914 12.502 1.00 41.22 C ATOM 105 C GLN A 9 10.390 -0.281 11.339 1.00 75.21 C ATOM 106 O GLN A 9 9.839 0.813 11.464 1.00 63.34 O ATOM 107 CB GLN A 9 12.687 -0.757 12.265 1.00 51.25 C ATOM 108 CG GLN A 9 13.222 -1.543 11.066 1.00 45.03 C ATOM 109 CD GLN A 9 14.736 -1.482 10.932 1.00 74.25 C ATOM 110 OE1 GLN A 9 15.434 -1.445 12.048 1.00 44.11 O flip ATOM 111 NE2 GLN A 9 15.277 -1.505 9.830 1.00 20.23 N flip ATOM 0 H GLN A 9 11.625 -2.972 12.534 1.00 12.11 H new ATOM 0 HA GLN A 9 10.895 -0.396 13.420 1.00 41.22 H new ATOM 0 HB2 GLN A 9 12.913 0.300 12.122 1.00 51.25 H new ATOM 0 HB3 GLN A 9 13.218 -1.078 13.161 1.00 51.25 H new ATOM 0 HG2 GLN A 9 12.914 -2.585 11.157 1.00 45.03 H new ATOM 0 HG3 GLN A 9 12.768 -1.155 10.154 1.00 45.03 H new ATOM 0 HE21 GLN A 9 14.709 -1.534 8.983 1.00 20.23 H new ATOM 0 HE22 GLN A 9 16.295 -1.496 9.761 1.00 20.23 H new ATOM 120 N GLN A 10 10.337 -0.992 10.218 1.00 11.53 N ATOM 121 CA GLN A 10 9.573 -0.562 9.046 1.00 42.34 C ATOM 122 C GLN A 10 8.059 -0.693 9.274 1.00 22.04 C ATOM 123 O GLN A 10 7.273 0.093 8.743 1.00 73.33 O ATOM 124 CB GLN A 10 10.036 -1.351 7.819 1.00 63.04 C ATOM 125 CG GLN A 10 11.463 -0.994 7.402 1.00 20.41 C ATOM 126 CD GLN A 10 12.094 -1.999 6.459 1.00 13.42 C ATOM 127 OE1 GLN A 10 11.762 -3.258 6.621 1.00 55.42 O flip ATOM 128 NE2 GLN A 10 12.893 -1.644 5.599 1.00 51.01 N flip ATOM 0 H GLN A 10 10.820 -1.881 10.093 1.00 11.53 H new ATOM 0 HA GLN A 10 9.763 0.497 8.871 1.00 42.34 H new ATOM 0 HB2 GLN A 10 9.979 -2.418 8.034 1.00 63.04 H new ATOM 0 HB3 GLN A 10 9.358 -1.157 6.988 1.00 63.04 H new ATOM 0 HG2 GLN A 10 11.458 -0.015 6.924 1.00 20.41 H new ATOM 0 HG3 GLN A 10 12.082 -0.909 8.295 1.00 20.41 H new ATOM 0 HE21 GLN A 10 13.130 -0.657 5.499 1.00 51.01 H new ATOM 0 HE22 GLN A 10 13.321 -2.336 4.984 1.00 51.01 H new ATOM 137 N ILE A 11 7.654 -1.690 10.064 1.00 33.34 N ATOM 138 CA ILE A 11 6.243 -1.851 10.444 1.00 65.42 C ATOM 139 C ILE A 11 5.751 -0.626 11.236 1.00 1.34 C ATOM 140 O ILE A 11 4.601 -0.198 11.105 1.00 52.22 O ATOM 141 CB ILE A 11 6.025 -3.139 11.287 1.00 72.42 C ATOM 142 CG1 ILE A 11 6.482 -4.378 10.497 1.00 42.54 C ATOM 143 CG2 ILE A 11 4.557 -3.279 11.707 1.00 3.43 C ATOM 144 CD1 ILE A 11 6.316 -5.685 11.249 1.00 1.11 C ATOM 0 H ILE A 11 8.278 -2.397 10.453 1.00 33.34 H new ATOM 0 HA ILE A 11 5.666 -1.940 9.523 1.00 65.42 H new ATOM 0 HB ILE A 11 6.627 -3.060 12.192 1.00 72.42 H new ATOM 0 HG12 ILE A 11 5.917 -4.432 9.567 1.00 42.54 H new ATOM 0 HG13 ILE A 11 7.531 -4.257 10.226 1.00 42.54 H new ATOM 0 HG21 ILE A 11 4.432 -4.188 12.295 1.00 3.43 H new ATOM 0 HG22 ILE A 11 4.266 -2.416 12.306 1.00 3.43 H new ATOM 0 HG23 ILE A 11 3.928 -3.333 10.818 1.00 3.43 H new ATOM 0 HD11 ILE A 11 6.660 -6.510 10.625 1.00 1.11 H new ATOM 0 HD12 ILE A 11 6.904 -5.654 12.166 1.00 1.11 H new ATOM 0 HD13 ILE A 11 5.265 -5.831 11.496 1.00 1.11 H new ATOM 156 N ARG A 12 6.644 -0.057 12.047 1.00 45.13 N ATOM 157 CA ARG A 12 6.351 1.168 12.803 1.00 31.24 C ATOM 158 C ARG A 12 5.973 2.325 11.863 1.00 12.12 C ATOM 159 O ARG A 12 5.122 3.153 12.190 1.00 61.23 O ATOM 160 CB ARG A 12 7.565 1.578 13.650 1.00 44.13 C ATOM 161 CG ARG A 12 7.279 2.712 14.636 1.00 42.34 C ATOM 162 CD ARG A 12 8.565 3.340 15.170 1.00 30.24 C ATOM 163 NE ARG A 12 9.229 4.173 14.163 1.00 70.43 N ATOM 164 CZ ARG A 12 10.375 3.888 13.596 1.00 55.41 C ATOM 165 NH1 ARG A 12 10.994 2.782 13.865 1.00 63.14 N1+ ATOM 166 NH2 ARG A 12 10.895 4.713 12.749 1.00 52.55 N ATOM 0 H ARG A 12 7.583 -0.426 12.200 1.00 45.13 H new ATOM 0 HA ARG A 12 5.505 0.957 13.457 1.00 31.24 H new ATOM 0 HB2 ARG A 12 7.919 0.709 14.204 1.00 44.13 H new ATOM 0 HB3 ARG A 12 8.373 1.883 12.985 1.00 44.13 H new ATOM 0 HG2 ARG A 12 6.678 3.477 14.145 1.00 42.34 H new ATOM 0 HG3 ARG A 12 6.689 2.329 15.469 1.00 42.34 H new ATOM 0 HD2 ARG A 12 8.336 3.945 16.047 1.00 30.24 H new ATOM 0 HD3 ARG A 12 9.245 2.553 15.495 1.00 30.24 H new ATOM 0 HE ARG A 12 8.765 5.037 13.884 1.00 70.43 H new ATOM 0 HH11 ARG A 12 10.590 2.119 14.526 1.00 63.14 H new ATOM 0 HH12 ARG A 12 11.886 2.574 13.415 1.00 63.14 H new ATOM 0 HH21 ARG A 12 10.413 5.583 12.523 1.00 52.55 H new ATOM 0 HH22 ARG A 12 11.787 4.494 12.306 1.00 52.55 H new ATOM 180 N ASP A 13 6.617 2.378 10.695 1.00 45.11 N ATOM 181 CA ASP A 13 6.356 3.435 9.709 1.00 11.23 C ATOM 182 C ASP A 13 4.869 3.482 9.310 1.00 65.20 C ATOM 183 O ASP A 13 4.294 4.561 9.135 1.00 25.53 O ATOM 184 CB ASP A 13 7.236 3.227 8.469 1.00 72.33 C ATOM 185 CG ASP A 13 7.074 4.338 7.447 1.00 41.51 C ATOM 186 OD1 ASP A 13 6.302 4.162 6.482 1.00 53.03 O ATOM 187 OD2 ASP A 13 7.715 5.400 7.610 1.00 2.40 O1- ATOM 0 H ASP A 13 7.324 1.702 10.406 1.00 45.11 H new ATOM 0 HA ASP A 13 6.605 4.392 10.168 1.00 11.23 H new ATOM 0 HB2 ASP A 13 8.281 3.169 8.775 1.00 72.33 H new ATOM 0 HB3 ASP A 13 6.986 2.273 8.006 1.00 72.33 H new ATOM 192 N ARG A 14 4.250 2.308 9.184 1.00 33.14 N ATOM 193 CA ARG A 14 2.815 2.214 8.892 1.00 62.54 C ATOM 194 C ARG A 14 1.979 2.878 9.999 1.00 14.34 C ATOM 195 O ARG A 14 0.933 3.469 9.733 1.00 72.10 O ATOM 196 CB ARG A 14 2.408 0.741 8.698 1.00 43.41 C ATOM 197 CG ARG A 14 0.903 0.516 8.545 1.00 31.13 C ATOM 198 CD ARG A 14 0.582 -0.893 8.041 1.00 40.33 C ATOM 199 NE ARG A 14 0.935 -1.059 6.631 1.00 65.44 N ATOM 200 CZ ARG A 14 1.193 -2.205 6.054 1.00 15.42 C ATOM 201 NH1 ARG A 14 1.155 -3.315 6.717 1.00 24.15 N1+ ATOM 202 NH2 ARG A 14 1.495 -2.237 4.803 1.00 22.34 N ATOM 0 H ARG A 14 4.718 1.407 9.279 1.00 33.14 H new ATOM 0 HA ARG A 14 2.616 2.752 7.965 1.00 62.54 H new ATOM 0 HB2 ARG A 14 2.913 0.351 7.814 1.00 43.41 H new ATOM 0 HB3 ARG A 14 2.765 0.163 9.551 1.00 43.41 H new ATOM 0 HG2 ARG A 14 0.413 0.678 9.505 1.00 31.13 H new ATOM 0 HG3 ARG A 14 0.495 1.251 7.851 1.00 31.13 H new ATOM 0 HD2 ARG A 14 1.123 -1.625 8.640 1.00 40.33 H new ATOM 0 HD3 ARG A 14 -0.481 -1.094 8.176 1.00 40.33 H new ATOM 0 HE ARG A 14 0.984 -0.219 6.055 1.00 65.44 H new ATOM 0 HH11 ARG A 14 0.920 -3.308 7.710 1.00 24.15 H new ATOM 0 HH12 ARG A 14 1.360 -4.197 6.247 1.00 24.15 H new ATOM 0 HH21 ARG A 14 1.533 -1.371 4.265 1.00 22.34 H new ATOM 0 HH22 ARG A 14 1.697 -3.128 4.350 1.00 22.34 H new ATOM 216 N LEU A 15 2.448 2.785 11.238 1.00 2.34 N ATOM 217 CA LEU A 15 1.814 3.487 12.361 1.00 14.43 C ATOM 218 C LEU A 15 2.001 5.007 12.235 1.00 52.03 C ATOM 219 O LEU A 15 1.060 5.783 12.419 1.00 33.43 O ATOM 220 CB LEU A 15 2.409 3.008 13.692 1.00 63.23 C ATOM 221 CG LEU A 15 1.839 3.686 14.952 1.00 10.31 C ATOM 222 CD1 LEU A 15 0.393 3.256 15.194 1.00 63.14 C ATOM 223 CD2 LEU A 15 2.717 3.387 16.168 1.00 11.44 C ATOM 0 H LEU A 15 3.265 2.232 11.496 1.00 2.34 H new ATOM 0 HA LEU A 15 0.748 3.262 12.338 1.00 14.43 H new ATOM 0 HB2 LEU A 15 2.251 1.933 13.775 1.00 63.23 H new ATOM 0 HB3 LEU A 15 3.487 3.171 13.668 1.00 63.23 H new ATOM 0 HG LEU A 15 1.842 4.764 14.793 1.00 10.31 H new ATOM 0 HD11 LEU A 15 0.012 3.748 16.089 1.00 63.14 H new ATOM 0 HD12 LEU A 15 -0.219 3.538 14.337 1.00 63.14 H new ATOM 0 HD13 LEU A 15 0.353 2.175 15.329 1.00 63.14 H new ATOM 0 HD21 LEU A 15 2.298 3.875 17.048 1.00 11.44 H new ATOM 0 HD22 LEU A 15 2.755 2.310 16.333 1.00 11.44 H new ATOM 0 HD23 LEU A 15 3.725 3.763 15.990 1.00 11.44 H new ATOM 235 N LEU A 16 3.225 5.418 11.905 1.00 24.44 N ATOM 236 CA LEU A 16 3.584 6.841 11.822 1.00 32.03 C ATOM 237 C LEU A 16 2.711 7.605 10.810 1.00 32.33 C ATOM 238 O LEU A 16 2.326 8.750 11.048 1.00 3.22 O ATOM 239 CB LEU A 16 5.068 6.983 11.448 1.00 72.25 C ATOM 240 CG LEU A 16 6.055 6.325 12.429 1.00 64.04 C ATOM 241 CD1 LEU A 16 7.484 6.448 11.918 1.00 41.11 C ATOM 242 CD2 LEU A 16 5.925 6.937 13.823 1.00 61.14 C ATOM 0 H LEU A 16 3.993 4.783 11.688 1.00 24.44 H new ATOM 0 HA LEU A 16 3.405 7.282 12.803 1.00 32.03 H new ATOM 0 HB2 LEU A 16 5.220 6.551 10.459 1.00 72.25 H new ATOM 0 HB3 LEU A 16 5.308 8.044 11.373 1.00 72.25 H new ATOM 0 HG LEU A 16 5.808 5.266 12.500 1.00 64.04 H new ATOM 0 HD11 LEU A 16 8.165 5.977 12.626 1.00 41.11 H new ATOM 0 HD12 LEU A 16 7.568 5.954 10.950 1.00 41.11 H new ATOM 0 HD13 LEU A 16 7.743 7.501 11.812 1.00 41.11 H new ATOM 0 HD21 LEU A 16 6.632 6.456 14.499 1.00 61.14 H new ATOM 0 HD22 LEU A 16 6.139 8.005 13.773 1.00 61.14 H new ATOM 0 HD23 LEU A 16 4.911 6.787 14.193 1.00 61.14 H new ATOM 254 N GLN A 17 2.407 6.973 9.680 1.00 20.30 N ATOM 255 CA GLN A 17 1.568 7.600 8.647 1.00 62.24 C ATOM 256 C GLN A 17 0.073 7.564 9.019 1.00 70.31 C ATOM 257 O GLN A 17 -0.751 8.226 8.386 1.00 63.40 O ATOM 258 CB GLN A 17 1.816 6.930 7.279 1.00 45.21 C ATOM 259 CG GLN A 17 1.478 5.435 7.217 1.00 63.11 C ATOM 260 CD GLN A 17 0.001 5.150 6.970 1.00 21.11 C ATOM 261 OE1 GLN A 17 -0.695 5.916 6.311 1.00 51.51 O ATOM 262 NE2 GLN A 17 -0.492 4.049 7.499 1.00 24.24 N ATOM 0 H GLN A 17 2.724 6.031 9.451 1.00 20.30 H new ATOM 0 HA GLN A 17 1.852 8.650 8.579 1.00 62.24 H new ATOM 0 HB2 GLN A 17 1.227 7.452 6.524 1.00 45.21 H new ATOM 0 HB3 GLN A 17 2.865 7.061 7.012 1.00 45.21 H new ATOM 0 HG2 GLN A 17 2.066 4.971 6.425 1.00 63.11 H new ATOM 0 HG3 GLN A 17 1.778 4.965 8.153 1.00 63.11 H new ATOM 0 HE21 GLN A 17 0.110 3.430 8.042 1.00 24.24 H new ATOM 0 HE22 GLN A 17 -1.476 3.815 7.365 1.00 24.24 H new ATOM 271 N ALA A 18 -0.272 6.795 10.051 1.00 54.14 N ATOM 272 CA ALA A 18 -1.674 6.616 10.445 1.00 24.32 C ATOM 273 C ALA A 18 -2.118 7.596 11.545 1.00 34.23 C ATOM 274 O ALA A 18 -3.294 7.972 11.612 1.00 12.22 O ATOM 275 CB ALA A 18 -1.888 5.182 10.913 1.00 61.12 C ATOM 0 H ALA A 18 0.396 6.286 10.630 1.00 54.14 H new ATOM 0 HA ALA A 18 -2.286 6.828 9.569 1.00 24.32 H new ATOM 0 HB1 ALA A 18 -2.929 5.047 11.206 1.00 61.12 H new ATOM 0 HB2 ALA A 18 -1.647 4.495 10.102 1.00 61.12 H new ATOM 0 HB3 ALA A 18 -1.241 4.977 11.766 1.00 61.12 H new ATOM 281 N ILE A 19 -1.180 8.033 12.387 1.00 25.51 N ATOM 282 CA ILE A 19 -1.518 8.884 13.541 1.00 4.21 C ATOM 283 C ILE A 19 -0.561 10.075 13.704 1.00 74.20 C ATOM 284 O ILE A 19 0.509 10.128 13.102 1.00 5.03 O ATOM 285 CB ILE A 19 -1.508 8.080 14.873 1.00 65.22 C ATOM 286 CG1 ILE A 19 -0.110 7.493 15.142 1.00 4.44 C ATOM 287 CG2 ILE A 19 -2.565 6.977 14.855 1.00 52.30 C ATOM 288 CD1 ILE A 19 0.013 6.774 16.474 1.00 33.45 C ATOM 0 H ILE A 19 -0.187 7.817 12.297 1.00 25.51 H new ATOM 0 HA ILE A 19 -2.521 9.257 13.332 1.00 4.21 H new ATOM 0 HB ILE A 19 -1.753 8.766 15.684 1.00 65.22 H new ATOM 0 HG12 ILE A 19 0.141 6.798 14.341 1.00 4.44 H new ATOM 0 HG13 ILE A 19 0.624 8.298 15.106 1.00 4.44 H new ATOM 0 HG21 ILE A 19 -2.537 6.430 15.798 1.00 52.30 H new ATOM 0 HG22 ILE A 19 -3.552 7.421 14.722 1.00 52.30 H new ATOM 0 HG23 ILE A 19 -2.362 6.292 14.032 1.00 52.30 H new ATOM 0 HD11 ILE A 19 1.027 6.390 16.588 1.00 33.45 H new ATOM 0 HD12 ILE A 19 -0.205 7.470 17.284 1.00 33.45 H new ATOM 0 HD13 ILE A 19 -0.695 5.946 16.507 1.00 33.45 H new ATOM 300 N ASP A 20 -0.974 11.032 14.525 1.00 34.32 N ATOM 301 CA ASP A 20 -0.115 12.153 14.922 1.00 42.41 C ATOM 302 C ASP A 20 0.825 11.752 16.074 1.00 64.43 C ATOM 303 O ASP A 20 0.539 10.806 16.811 1.00 53.40 O ATOM 304 CB ASP A 20 -0.990 13.342 15.361 1.00 73.41 C ATOM 305 CG ASP A 20 -0.603 14.647 14.692 1.00 1.11 C ATOM 306 OD1 ASP A 20 -0.012 15.508 15.370 1.00 20.41 O ATOM 307 OD2 ASP A 20 -0.883 14.819 13.495 1.00 0.24 O1- ATOM 0 H ASP A 20 -1.907 11.058 14.935 1.00 34.32 H new ATOM 0 HA ASP A 20 0.496 12.437 14.065 1.00 42.41 H new ATOM 0 HB2 ASP A 20 -2.033 13.120 15.135 1.00 73.41 H new ATOM 0 HB3 ASP A 20 -0.916 13.459 16.442 1.00 73.41 H new ATOM 312 N PRO A 21 1.964 12.458 16.248 1.00 71.11 N ATOM 313 CA PRO A 21 2.796 12.326 17.462 1.00 3.55 C ATOM 314 C PRO A 21 1.978 12.562 18.747 1.00 1.24 C ATOM 315 O PRO A 21 2.358 12.130 19.834 1.00 51.31 O ATOM 316 CB PRO A 21 3.858 13.420 17.283 1.00 22.22 C ATOM 317 CG PRO A 21 3.955 13.610 15.806 1.00 43.14 C ATOM 318 CD PRO A 21 2.564 13.392 15.270 1.00 10.44 C ATOM 0 HA PRO A 21 3.217 11.326 17.571 1.00 3.55 H new ATOM 0 HB2 PRO A 21 3.565 14.343 17.783 1.00 22.22 H new ATOM 0 HB3 PRO A 21 4.815 13.117 17.708 1.00 22.22 H new ATOM 0 HG2 PRO A 21 4.315 14.610 15.564 1.00 43.14 H new ATOM 0 HG3 PRO A 21 4.658 12.903 15.366 1.00 43.14 H new ATOM 0 HD2 PRO A 21 2.005 14.326 15.211 1.00 10.44 H new ATOM 0 HD3 PRO A 21 2.582 12.967 14.267 1.00 10.44 H new ATOM 326 N GLN A 22 0.836 13.240 18.594 1.00 60.45 N ATOM 327 CA GLN A 22 -0.104 13.474 19.700 1.00 43.02 C ATOM 328 C GLN A 22 -1.011 12.239 19.925 1.00 25.42 C ATOM 329 O GLN A 22 -1.932 12.262 20.746 1.00 70.20 O ATOM 330 CB GLN A 22 -0.951 14.718 19.376 1.00 30.41 C ATOM 331 CG GLN A 22 -1.887 15.177 20.493 1.00 34.01 C ATOM 332 CD GLN A 22 -1.153 15.540 21.770 1.00 11.23 C ATOM 333 OE1 GLN A 22 -0.720 16.672 21.947 1.00 60.02 O ATOM 334 NE2 GLN A 22 -1.020 14.589 22.672 1.00 72.35 N ATOM 0 H GLN A 22 0.536 13.641 17.705 1.00 60.45 H new ATOM 0 HA GLN A 22 0.455 13.641 20.621 1.00 43.02 H new ATOM 0 HB2 GLN A 22 -0.280 15.540 19.126 1.00 30.41 H new ATOM 0 HB3 GLN A 22 -1.547 14.511 18.487 1.00 30.41 H new ATOM 0 HG2 GLN A 22 -2.457 16.041 20.150 1.00 34.01 H new ATOM 0 HG3 GLN A 22 -2.605 14.385 20.706 1.00 34.01 H new ATOM 0 HE21 GLN A 22 -1.394 13.658 22.490 1.00 72.35 H new ATOM 0 HE22 GLN A 22 -0.543 14.784 23.552 1.00 72.35 H new ATOM 343 N SER A 23 -0.730 11.168 19.180 1.00 24.01 N ATOM 344 CA SER A 23 -1.411 9.867 19.331 1.00 44.30 C ATOM 345 C SER A 23 -2.915 9.911 19.003 1.00 12.24 C ATOM 346 O SER A 23 -3.660 9.010 19.383 1.00 71.24 O ATOM 347 CB SER A 23 -1.204 9.319 20.749 1.00 63.45 C ATOM 348 OG SER A 23 0.166 9.042 21.002 1.00 32.11 O ATOM 0 H SER A 23 -0.020 11.172 18.448 1.00 24.01 H new ATOM 0 HA SER A 23 -0.953 9.202 18.598 1.00 44.30 H new ATOM 0 HB2 SER A 23 -1.571 10.042 21.477 1.00 63.45 H new ATOM 0 HB3 SER A 23 -1.791 8.410 20.879 1.00 63.45 H new ATOM 0 HG SER A 23 0.267 8.696 21.913 1.00 32.11 H new ATOM 354 N ASN A 24 -3.358 10.928 18.273 1.00 3.23 N ATOM 355 CA ASN A 24 -4.765 11.010 17.846 1.00 5.42 C ATOM 356 C ASN A 24 -4.980 10.298 16.500 1.00 55.35 C ATOM 357 O ASN A 24 -4.099 10.298 15.632 1.00 41.33 O ATOM 358 CB ASN A 24 -5.236 12.469 17.758 1.00 31.52 C ATOM 359 CG ASN A 24 -4.370 13.321 16.853 1.00 11.31 C ATOM 360 OD1 ASN A 24 -4.559 13.361 15.646 1.00 50.04 O ATOM 361 ND2 ASN A 24 -3.429 14.034 17.433 1.00 32.54 N ATOM 0 H ASN A 24 -2.775 11.705 17.962 1.00 3.23 H new ATOM 0 HA ASN A 24 -5.364 10.502 18.602 1.00 5.42 H new ATOM 0 HB2 ASN A 24 -6.263 12.491 17.394 1.00 31.52 H new ATOM 0 HB3 ASN A 24 -5.243 12.903 18.758 1.00 31.52 H new ATOM 0 HD21 ASN A 24 -2.832 14.642 16.873 1.00 32.54 H new ATOM 0 HD22 ASN A 24 -3.296 13.979 18.443 1.00 32.54 H new ATOM 368 N ILE A 25 -6.158 9.703 16.333 1.00 51.52 N ATOM 369 CA ILE A 25 -6.465 8.901 15.143 1.00 71.52 C ATOM 370 C ILE A 25 -6.902 9.782 13.958 1.00 44.44 C ATOM 371 O ILE A 25 -8.078 10.126 13.821 1.00 61.30 O ATOM 372 CB ILE A 25 -7.571 7.853 15.446 1.00 1.21 C ATOM 373 CG1 ILE A 25 -7.191 7.002 16.675 1.00 73.52 C ATOM 374 CG2 ILE A 25 -7.831 6.960 14.231 1.00 4.22 C ATOM 375 CD1 ILE A 25 -5.891 6.235 16.525 1.00 55.12 C ATOM 0 H ILE A 25 -6.921 9.759 17.007 1.00 51.52 H new ATOM 0 HA ILE A 25 -5.547 8.383 14.867 1.00 71.52 H new ATOM 0 HB ILE A 25 -8.492 8.391 15.671 1.00 1.21 H new ATOM 0 HG12 ILE A 25 -7.116 7.654 17.545 1.00 73.52 H new ATOM 0 HG13 ILE A 25 -7.996 6.295 16.875 1.00 73.52 H new ATOM 0 HG21 ILE A 25 -8.609 6.236 14.472 1.00 4.22 H new ATOM 0 HG22 ILE A 25 -8.154 7.574 13.390 1.00 4.22 H new ATOM 0 HG23 ILE A 25 -6.915 6.433 13.964 1.00 4.22 H new ATOM 0 HD11 ILE A 25 -5.699 5.664 17.433 1.00 55.12 H new ATOM 0 HD12 ILE A 25 -5.966 5.554 15.677 1.00 55.12 H new ATOM 0 HD13 ILE A 25 -5.073 6.935 16.357 1.00 55.12 H new ATOM 387 N ARG A 26 -5.942 10.154 13.111 1.00 61.15 N ATOM 388 CA ARG A 26 -6.225 10.984 11.931 1.00 42.23 C ATOM 389 C ARG A 26 -6.745 10.146 10.757 1.00 2.34 C ATOM 390 O ARG A 26 -7.693 10.534 10.073 1.00 54.52 O ATOM 391 CB ARG A 26 -4.955 11.727 11.506 1.00 43.32 C ATOM 392 CG ARG A 26 -4.490 12.779 12.504 1.00 33.04 C ATOM 393 CD ARG A 26 -3.143 13.372 12.111 1.00 45.11 C ATOM 394 NE ARG A 26 -3.136 13.879 10.739 1.00 41.50 N ATOM 395 CZ ARG A 26 -2.096 14.410 10.156 1.00 24.24 C ATOM 396 NH1 ARG A 26 -0.994 14.589 10.807 1.00 13.24 N1+ ATOM 397 NH2 ARG A 26 -2.171 14.787 8.922 1.00 22.14 N ATOM 0 H ARG A 26 -4.961 9.896 13.217 1.00 61.15 H new ATOM 0 HA ARG A 26 -7.003 11.697 12.205 1.00 42.23 H new ATOM 0 HB2 ARG A 26 -4.154 11.002 11.358 1.00 43.32 H new ATOM 0 HB3 ARG A 26 -5.132 12.207 10.544 1.00 43.32 H new ATOM 0 HG2 ARG A 26 -5.233 13.574 12.567 1.00 33.04 H new ATOM 0 HG3 ARG A 26 -4.416 12.332 13.495 1.00 33.04 H new ATOM 0 HD2 ARG A 26 -2.892 14.182 12.796 1.00 45.11 H new ATOM 0 HD3 ARG A 26 -2.369 12.612 12.219 1.00 45.11 H new ATOM 0 HE ARG A 26 -4.001 13.813 10.202 1.00 41.50 H new ATOM 0 HH11 ARG A 26 -0.930 14.314 11.787 1.00 13.24 H new ATOM 0 HH12 ARG A 26 -0.188 15.005 10.341 1.00 13.24 H new ATOM 0 HH21 ARG A 26 -3.042 14.669 8.405 1.00 22.14 H new ATOM 0 HH22 ARG A 26 -1.359 15.202 8.465 1.00 22.14 H new ATOM 411 N ASN A 27 -6.117 8.999 10.523 1.00 44.21 N ATOM 412 CA ASN A 27 -6.542 8.095 9.452 1.00 22.50 C ATOM 413 C ASN A 27 -7.017 6.758 10.035 1.00 61.43 C ATOM 414 O ASN A 27 -6.209 5.867 10.307 1.00 52.13 O ATOM 415 CB ASN A 27 -5.399 7.860 8.459 1.00 54.45 C ATOM 416 CG ASN A 27 -4.852 9.148 7.874 1.00 23.35 C ATOM 417 OD1 ASN A 27 -5.341 9.648 6.867 1.00 5.43 O ATOM 418 ND2 ASN A 27 -3.816 9.686 8.487 1.00 62.12 N ATOM 0 H ASN A 27 -5.313 8.670 11.058 1.00 44.21 H new ATOM 0 HA ASN A 27 -7.373 8.561 8.922 1.00 22.50 H new ATOM 0 HB2 ASN A 27 -4.593 7.323 8.960 1.00 54.45 H new ATOM 0 HB3 ASN A 27 -5.753 7.221 7.650 1.00 54.45 H new ATOM 0 HD21 ASN A 27 -3.398 10.543 8.125 1.00 62.12 H new ATOM 0 HD22 ASN A 27 -3.433 9.245 9.323 1.00 62.12 H new ATOM 425 N MET A 28 -8.325 6.624 10.235 1.00 51.43 N ATOM 426 CA MET A 28 -8.893 5.418 10.845 1.00 72.51 C ATOM 427 C MET A 28 -8.588 4.164 10.010 1.00 34.33 C ATOM 428 O MET A 28 -8.159 3.146 10.546 1.00 33.21 O ATOM 429 CB MET A 28 -10.403 5.580 11.045 1.00 44.41 C ATOM 430 CG MET A 28 -11.064 4.389 11.725 1.00 32.40 C ATOM 431 SD MET A 28 -12.797 4.688 12.120 1.00 52.21 S ATOM 432 CE MET A 28 -13.439 5.132 10.506 1.00 31.40 C ATOM 0 H MET A 28 -9.014 7.333 9.985 1.00 51.43 H new ATOM 0 HA MET A 28 -8.423 5.286 11.819 1.00 72.51 H new ATOM 0 HB2 MET A 28 -10.587 6.475 11.640 1.00 44.41 H new ATOM 0 HB3 MET A 28 -10.874 5.740 10.075 1.00 44.41 H new ATOM 0 HG2 MET A 28 -10.989 3.517 11.075 1.00 32.40 H new ATOM 0 HG3 MET A 28 -10.522 4.152 12.641 1.00 32.40 H new ATOM 0 HE1 MET A 28 -14.486 4.836 10.437 1.00 31.40 H new ATOM 0 HE2 MET A 28 -13.356 6.210 10.365 1.00 31.40 H new ATOM 0 HE3 MET A 28 -12.866 4.620 9.733 1.00 31.40 H new ATOM 442 N VAL A 29 -8.798 4.241 8.699 1.00 63.35 N ATOM 443 CA VAL A 29 -8.435 3.139 7.801 1.00 74.03 C ATOM 444 C VAL A 29 -6.953 2.751 7.965 1.00 22.22 C ATOM 445 O VAL A 29 -6.605 1.570 7.972 1.00 13.15 O ATOM 446 CB VAL A 29 -8.721 3.501 6.318 1.00 74.31 C ATOM 447 CG1 VAL A 29 -7.954 4.755 5.895 1.00 61.44 C ATOM 448 CG2 VAL A 29 -8.404 2.323 5.394 1.00 2.15 C ATOM 0 H VAL A 29 -9.214 5.047 8.233 1.00 63.35 H new ATOM 0 HA VAL A 29 -9.054 2.285 8.077 1.00 74.03 H new ATOM 0 HB VAL A 29 -9.785 3.719 6.229 1.00 74.31 H new ATOM 0 HG11 VAL A 29 -8.175 4.982 4.852 1.00 61.44 H new ATOM 0 HG12 VAL A 29 -8.256 5.595 6.521 1.00 61.44 H new ATOM 0 HG13 VAL A 29 -6.884 4.583 6.010 1.00 61.44 H new ATOM 0 HG21 VAL A 29 -8.613 2.604 4.362 1.00 2.15 H new ATOM 0 HG22 VAL A 29 -7.351 2.057 5.492 1.00 2.15 H new ATOM 0 HG23 VAL A 29 -9.021 1.468 5.670 1.00 2.15 H new ATOM 458 N ALA A 30 -6.091 3.754 8.141 1.00 40.45 N ATOM 459 CA ALA A 30 -4.648 3.526 8.265 1.00 44.53 C ATOM 460 C ALA A 30 -4.272 2.852 9.594 1.00 0.42 C ATOM 461 O ALA A 30 -3.414 1.969 9.625 1.00 33.32 O ATOM 462 CB ALA A 30 -3.891 4.835 8.092 1.00 30.03 C ATOM 0 H ALA A 30 -6.367 4.734 8.201 1.00 40.45 H new ATOM 0 HA ALA A 30 -4.359 2.838 7.470 1.00 44.53 H new ATOM 0 HB1 ALA A 30 -2.821 4.652 8.186 1.00 30.03 H new ATOM 0 HB2 ALA A 30 -4.103 5.250 7.107 1.00 30.03 H new ATOM 0 HB3 ALA A 30 -4.207 5.542 8.859 1.00 30.03 H new ATOM 468 N VAL A 31 -4.896 3.272 10.696 1.00 51.34 N ATOM 469 CA VAL A 31 -4.660 2.616 11.988 1.00 71.25 C ATOM 470 C VAL A 31 -5.155 1.160 11.950 1.00 10.33 C ATOM 471 O VAL A 31 -4.515 0.260 12.494 1.00 0.44 O ATOM 472 CB VAL A 31 -5.299 3.380 13.180 1.00 55.04 C ATOM 473 CG1 VAL A 31 -4.851 4.841 13.182 1.00 13.42 C ATOM 474 CG2 VAL A 31 -6.823 3.274 13.179 1.00 13.44 C ATOM 0 H VAL A 31 -5.557 4.048 10.724 1.00 51.34 H new ATOM 0 HA VAL A 31 -3.583 2.625 12.154 1.00 71.25 H new ATOM 0 HB VAL A 31 -4.948 2.908 14.098 1.00 55.04 H new ATOM 0 HG11 VAL A 31 -5.308 5.361 14.024 1.00 13.42 H new ATOM 0 HG12 VAL A 31 -3.766 4.889 13.272 1.00 13.42 H new ATOM 0 HG13 VAL A 31 -5.159 5.317 12.251 1.00 13.42 H new ATOM 0 HG21 VAL A 31 -7.226 3.823 14.030 1.00 13.44 H new ATOM 0 HG22 VAL A 31 -7.217 3.697 12.255 1.00 13.44 H new ATOM 0 HG23 VAL A 31 -7.115 2.226 13.252 1.00 13.44 H new ATOM 484 N LEU A 32 -6.292 0.932 11.283 1.00 72.31 N ATOM 485 CA LEU A 32 -6.797 -0.429 11.057 1.00 41.32 C ATOM 486 C LEU A 32 -5.752 -1.281 10.319 1.00 45.12 C ATOM 487 O LEU A 32 -5.609 -2.477 10.588 1.00 31.13 O ATOM 488 CB LEU A 32 -8.108 -0.397 10.257 1.00 2.44 C ATOM 489 CG LEU A 32 -9.282 0.333 10.935 1.00 31.13 C ATOM 490 CD1 LEU A 32 -10.522 0.302 10.046 1.00 42.44 C ATOM 491 CD2 LEU A 32 -9.582 -0.270 12.305 1.00 60.22 C ATOM 0 H LEU A 32 -6.879 1.669 10.891 1.00 72.31 H new ATOM 0 HA LEU A 32 -6.992 -0.880 12.030 1.00 41.32 H new ATOM 0 HB2 LEU A 32 -7.915 0.078 9.295 1.00 2.44 H new ATOM 0 HB3 LEU A 32 -8.412 -1.423 10.050 1.00 2.44 H new ATOM 0 HG LEU A 32 -8.993 1.374 11.082 1.00 31.13 H new ATOM 0 HD11 LEU A 32 -11.340 0.823 10.544 1.00 42.44 H new ATOM 0 HD12 LEU A 32 -10.302 0.793 9.098 1.00 42.44 H new ATOM 0 HD13 LEU A 32 -10.811 -0.733 9.860 1.00 42.44 H new ATOM 0 HD21 LEU A 32 -10.415 0.263 12.763 1.00 60.22 H new ATOM 0 HD22 LEU A 32 -9.844 -1.322 12.190 1.00 60.22 H new ATOM 0 HD23 LEU A 32 -8.702 -0.183 12.942 1.00 60.22 H new ATOM 503 N GLU A 33 -5.018 -0.653 9.391 1.00 64.43 N ATOM 504 CA GLU A 33 -3.903 -1.317 8.704 1.00 33.12 C ATOM 505 C GLU A 33 -2.853 -1.797 9.719 1.00 0.34 C ATOM 506 O GLU A 33 -2.368 -2.927 9.639 1.00 62.34 O ATOM 507 CB GLU A 33 -3.229 -0.371 7.690 1.00 13.04 C ATOM 508 CG GLU A 33 -4.137 0.118 6.564 1.00 24.54 C ATOM 509 CD GLU A 33 -3.398 1.003 5.566 1.00 62.40 C ATOM 510 OE1 GLU A 33 -3.642 2.230 5.535 1.00 62.24 O ATOM 511 OE2 GLU A 33 -2.554 0.472 4.812 1.00 10.43 O1- ATOM 0 H GLU A 33 -5.176 0.312 9.099 1.00 64.43 H new ATOM 0 HA GLU A 33 -4.313 -2.174 8.169 1.00 33.12 H new ATOM 0 HB2 GLU A 33 -2.841 0.495 8.226 1.00 13.04 H new ATOM 0 HB3 GLU A 33 -2.373 -0.884 7.250 1.00 13.04 H new ATOM 0 HG2 GLU A 33 -4.559 -0.741 6.042 1.00 24.54 H new ATOM 0 HG3 GLU A 33 -4.972 0.674 6.990 1.00 24.54 H new ATOM 518 N VAL A 34 -2.513 -0.930 10.678 1.00 30.13 N ATOM 519 CA VAL A 34 -1.513 -1.259 11.704 1.00 42.31 C ATOM 520 C VAL A 34 -1.929 -2.486 12.529 1.00 23.00 C ATOM 521 O VAL A 34 -1.166 -3.440 12.654 1.00 14.23 O ATOM 522 CB VAL A 34 -1.275 -0.069 12.668 1.00 1.41 C ATOM 523 CG1 VAL A 34 -0.225 -0.418 13.724 1.00 3.52 C ATOM 524 CG2 VAL A 34 -0.865 1.176 11.893 1.00 52.30 C ATOM 0 H VAL A 34 -2.914 0.004 10.767 1.00 30.13 H new ATOM 0 HA VAL A 34 -0.589 -1.482 11.170 1.00 42.31 H new ATOM 0 HB VAL A 34 -2.213 0.140 13.183 1.00 1.41 H new ATOM 0 HG11 VAL A 34 -0.078 0.435 14.387 1.00 3.52 H new ATOM 0 HG12 VAL A 34 -0.565 -1.275 14.306 1.00 3.52 H new ATOM 0 HG13 VAL A 34 0.717 -0.663 13.233 1.00 3.52 H new ATOM 0 HG21 VAL A 34 -0.703 2.000 12.588 1.00 52.30 H new ATOM 0 HG22 VAL A 34 0.056 0.977 11.345 1.00 52.30 H new ATOM 0 HG23 VAL A 34 -1.654 1.444 11.191 1.00 52.30 H new ATOM 534 N ILE A 35 -3.146 -2.467 13.067 1.00 75.42 N ATOM 535 CA ILE A 35 -3.643 -3.595 13.863 1.00 14.20 C ATOM 536 C ILE A 35 -3.705 -4.878 13.018 1.00 11.42 C ATOM 537 O ILE A 35 -3.246 -5.935 13.446 1.00 55.21 O ATOM 538 CB ILE A 35 -5.039 -3.304 14.491 1.00 30.44 C ATOM 539 CG1 ILE A 35 -4.930 -2.303 15.664 1.00 2.23 C ATOM 540 CG2 ILE A 35 -5.702 -4.598 14.971 1.00 14.14 C ATOM 541 CD1 ILE A 35 -4.457 -0.917 15.279 1.00 10.00 C ATOM 0 H ILE A 35 -3.803 -1.693 12.970 1.00 75.42 H new ATOM 0 HA ILE A 35 -2.935 -3.738 14.679 1.00 14.20 H new ATOM 0 HB ILE A 35 -5.659 -2.857 13.713 1.00 30.44 H new ATOM 0 HG12 ILE A 35 -5.906 -2.218 16.142 1.00 2.23 H new ATOM 0 HG13 ILE A 35 -4.246 -2.711 16.408 1.00 2.23 H new ATOM 0 HG21 ILE A 35 -6.675 -4.369 15.405 1.00 14.14 H new ATOM 0 HG22 ILE A 35 -5.832 -5.275 14.127 1.00 14.14 H new ATOM 0 HG23 ILE A 35 -5.072 -5.073 15.723 1.00 14.14 H new ATOM 0 HD11 ILE A 35 -4.413 -0.288 16.168 1.00 10.00 H new ATOM 0 HD12 ILE A 35 -3.466 -0.982 14.831 1.00 10.00 H new ATOM 0 HD13 ILE A 35 -5.152 -0.482 14.561 1.00 10.00 H new ATOM 553 N SER A 36 -4.249 -4.770 11.806 1.00 43.43 N ATOM 554 CA SER A 36 -4.323 -5.914 10.883 1.00 63.13 C ATOM 555 C SER A 36 -2.924 -6.477 10.583 1.00 12.01 C ATOM 556 O SER A 36 -2.748 -7.686 10.417 1.00 32.24 O ATOM 557 CB SER A 36 -5.004 -5.501 9.569 1.00 61.32 C ATOM 558 OG SER A 36 -5.124 -6.599 8.676 1.00 13.14 O ATOM 0 H SER A 36 -4.646 -3.906 11.436 1.00 43.43 H new ATOM 0 HA SER A 36 -4.914 -6.692 11.367 1.00 63.13 H new ATOM 0 HB2 SER A 36 -5.993 -5.095 9.783 1.00 61.32 H new ATOM 0 HB3 SER A 36 -4.429 -4.706 9.094 1.00 61.32 H new ATOM 0 HG SER A 36 -5.562 -6.303 7.851 1.00 13.14 H new ATOM 564 N SER A 37 -1.932 -5.587 10.509 1.00 23.44 N ATOM 565 CA SER A 37 -0.528 -5.993 10.330 1.00 74.45 C ATOM 566 C SER A 37 0.005 -6.708 11.580 1.00 55.30 C ATOM 567 O SER A 37 0.575 -7.790 11.489 1.00 44.34 O ATOM 568 CB SER A 37 0.359 -4.774 10.020 1.00 10.04 C ATOM 569 OG SER A 37 -0.063 -4.115 8.837 1.00 14.54 O ATOM 0 H SER A 37 -2.071 -4.578 10.570 1.00 23.44 H new ATOM 0 HA SER A 37 -0.493 -6.684 9.488 1.00 74.45 H new ATOM 0 HB2 SER A 37 0.328 -4.077 10.857 1.00 10.04 H new ATOM 0 HB3 SER A 37 1.395 -5.094 9.910 1.00 10.04 H new ATOM 0 HG SER A 37 -0.969 -3.765 8.963 1.00 14.54 H new ATOM 575 N LEU A 38 -0.215 -6.101 12.746 1.00 65.33 N ATOM 576 CA LEU A 38 0.263 -6.643 14.028 1.00 75.42 C ATOM 577 C LEU A 38 -0.360 -8.012 14.353 1.00 72.10 C ATOM 578 O LEU A 38 0.273 -8.849 14.997 1.00 23.51 O ATOM 579 CB LEU A 38 -0.019 -5.638 15.162 1.00 41.12 C ATOM 580 CG LEU A 38 1.097 -4.610 15.437 1.00 32.00 C ATOM 581 CD1 LEU A 38 1.452 -3.817 14.182 1.00 4.21 C ATOM 582 CD2 LEU A 38 0.686 -3.670 16.568 1.00 12.42 C ATOM 0 H LEU A 38 -0.727 -5.223 12.834 1.00 65.33 H new ATOM 0 HA LEU A 38 1.338 -6.797 13.939 1.00 75.42 H new ATOM 0 HB2 LEU A 38 -0.935 -5.097 14.924 1.00 41.12 H new ATOM 0 HB3 LEU A 38 -0.207 -6.196 16.079 1.00 41.12 H new ATOM 0 HG LEU A 38 1.988 -5.159 15.742 1.00 32.00 H new ATOM 0 HD11 LEU A 38 2.242 -3.103 14.414 1.00 4.21 H new ATOM 0 HD12 LEU A 38 1.797 -4.500 13.406 1.00 4.21 H new ATOM 0 HD13 LEU A 38 0.571 -3.282 13.829 1.00 4.21 H new ATOM 0 HD21 LEU A 38 1.484 -2.950 16.751 1.00 12.42 H new ATOM 0 HD22 LEU A 38 -0.224 -3.140 16.288 1.00 12.42 H new ATOM 0 HD23 LEU A 38 0.505 -4.248 17.474 1.00 12.42 H new ATOM 594 N GLU A 39 -1.599 -8.238 13.913 1.00 51.33 N ATOM 595 CA GLU A 39 -2.252 -9.542 14.096 1.00 23.13 C ATOM 596 C GLU A 39 -1.524 -10.643 13.303 1.00 2.33 C ATOM 597 O GLU A 39 -1.508 -11.809 13.706 1.00 24.30 O ATOM 598 CB GLU A 39 -3.732 -9.477 13.673 1.00 73.34 C ATOM 599 CG GLU A 39 -4.578 -8.507 14.501 1.00 71.32 C ATOM 600 CD GLU A 39 -6.050 -8.489 14.095 1.00 3.43 C ATOM 601 OE1 GLU A 39 -6.359 -8.727 12.905 1.00 24.35 O ATOM 602 OE2 GLU A 39 -6.911 -8.227 14.965 1.00 13.22 O1- ATOM 0 H GLU A 39 -2.169 -7.543 13.431 1.00 51.33 H new ATOM 0 HA GLU A 39 -2.201 -9.791 15.156 1.00 23.13 H new ATOM 0 HB2 GLU A 39 -3.786 -9.185 12.624 1.00 73.34 H new ATOM 0 HB3 GLU A 39 -4.164 -10.475 13.749 1.00 73.34 H new ATOM 0 HG2 GLU A 39 -4.502 -8.778 15.554 1.00 71.32 H new ATOM 0 HG3 GLU A 39 -4.168 -7.502 14.400 1.00 71.32 H new ATOM 609 N LYS A 40 -0.932 -10.269 12.167 1.00 74.30 N ATOM 610 CA LYS A 40 -0.188 -11.220 11.326 1.00 64.31 C ATOM 611 C LYS A 40 1.328 -11.146 11.582 1.00 24.30 C ATOM 612 O LYS A 40 2.064 -12.086 11.283 1.00 13.15 O ATOM 613 CB LYS A 40 -0.457 -10.934 9.843 1.00 43.53 C ATOM 614 CG LYS A 40 -1.932 -10.763 9.502 1.00 60.54 C ATOM 615 CD LYS A 40 -2.136 -10.497 8.013 1.00 21.35 C ATOM 616 CE LYS A 40 -3.578 -10.129 7.691 1.00 44.41 C ATOM 617 NZ LYS A 40 -3.987 -8.859 8.346 1.00 24.44 N1+ ATOM 0 H LYS A 40 -0.951 -9.316 11.805 1.00 74.30 H new ATOM 0 HA LYS A 40 -0.533 -12.221 11.586 1.00 64.31 H new ATOM 0 HB2 LYS A 40 0.079 -10.030 9.555 1.00 43.53 H new ATOM 0 HB3 LYS A 40 -0.049 -11.750 9.246 1.00 43.53 H new ATOM 0 HG2 LYS A 40 -2.479 -11.660 9.790 1.00 60.54 H new ATOM 0 HG3 LYS A 40 -2.347 -9.937 10.080 1.00 60.54 H new ATOM 0 HD2 LYS A 40 -1.476 -9.689 7.695 1.00 21.35 H new ATOM 0 HD3 LYS A 40 -1.852 -11.383 7.444 1.00 21.35 H new ATOM 0 HE2 LYS A 40 -3.696 -10.035 6.612 1.00 44.41 H new ATOM 0 HE3 LYS A 40 -4.239 -10.933 8.015 1.00 44.41 H new ATOM 0 HZ1 LYS A 40 -4.746 -9.050 9.030 1.00 24.44 H new ATOM 0 HZ2 LYS A 40 -3.171 -8.445 8.841 1.00 24.44 H new ATOM 0 HZ3 LYS A 40 -4.330 -8.192 7.626 1.00 24.44 H new ATOM 631 N TYR A 41 1.785 -10.026 12.137 1.00 63.05 N ATOM 632 CA TYR A 41 3.218 -9.782 12.356 1.00 70.34 C ATOM 633 C TYR A 41 3.476 -9.191 13.752 1.00 1.43 C ATOM 634 O TYR A 41 3.336 -7.983 13.958 1.00 75.32 O ATOM 635 CB TYR A 41 3.778 -8.816 11.296 1.00 12.25 C ATOM 636 CG TYR A 41 3.646 -9.298 9.862 1.00 23.01 C ATOM 637 CD1 TYR A 41 4.577 -10.174 9.310 1.00 35.14 C ATOM 638 CD2 TYR A 41 2.596 -8.867 9.056 1.00 73.00 C ATOM 639 CE1 TYR A 41 4.467 -10.601 8.000 1.00 24.00 C ATOM 640 CE2 TYR A 41 2.479 -9.294 7.748 1.00 14.31 C ATOM 641 CZ TYR A 41 3.416 -10.160 7.225 1.00 3.21 C ATOM 642 OH TYR A 41 3.304 -10.583 5.918 1.00 32.04 O ATOM 0 H TYR A 41 1.182 -9.264 12.447 1.00 63.05 H new ATOM 0 HA TYR A 41 3.723 -10.745 12.276 1.00 70.34 H new ATOM 0 HB2 TYR A 41 3.266 -7.858 11.391 1.00 12.25 H new ATOM 0 HB3 TYR A 41 4.832 -8.637 11.509 1.00 12.25 H new ATOM 0 HD1 TYR A 41 5.399 -10.526 9.916 1.00 35.14 H new ATOM 0 HD2 TYR A 41 1.861 -8.187 9.460 1.00 73.00 H new ATOM 0 HE1 TYR A 41 5.201 -11.277 7.586 1.00 24.00 H new ATOM 0 HE2 TYR A 41 1.657 -8.951 7.137 1.00 14.31 H new ATOM 0 HH TYR A 41 2.508 -10.181 5.511 1.00 32.04 H new ATOM 652 N PRO A 42 3.844 -10.031 14.737 1.00 35.30 N ATOM 653 CA PRO A 42 4.202 -9.556 16.078 1.00 0.42 C ATOM 654 C PRO A 42 5.584 -8.882 16.105 1.00 12.32 C ATOM 655 O PRO A 42 6.562 -9.422 15.585 1.00 72.50 O ATOM 656 CB PRO A 42 4.202 -10.839 16.939 1.00 23.43 C ATOM 657 CG PRO A 42 3.656 -11.923 16.059 1.00 71.23 C ATOM 658 CD PRO A 42 3.927 -11.493 14.642 1.00 73.02 C ATOM 0 HA PRO A 42 3.508 -8.797 16.438 1.00 0.42 H new ATOM 0 HB2 PRO A 42 5.209 -11.082 17.279 1.00 23.43 H new ATOM 0 HB3 PRO A 42 3.587 -10.712 17.830 1.00 23.43 H new ATOM 0 HG2 PRO A 42 4.136 -12.878 16.274 1.00 71.23 H new ATOM 0 HG3 PRO A 42 2.588 -12.059 16.227 1.00 71.23 H new ATOM 0 HD2 PRO A 42 4.907 -11.823 14.297 1.00 73.02 H new ATOM 0 HD3 PRO A 42 3.192 -11.898 13.947 1.00 73.02 H new ATOM 666 N ILE A 43 5.661 -7.697 16.710 1.00 42.42 N ATOM 667 CA ILE A 43 6.933 -6.984 16.846 1.00 73.11 C ATOM 668 C ILE A 43 7.828 -7.676 17.886 1.00 21.03 C ATOM 669 O ILE A 43 7.437 -7.855 19.041 1.00 61.42 O ATOM 670 CB ILE A 43 6.722 -5.489 17.226 1.00 4.42 C ATOM 671 CG1 ILE A 43 6.156 -4.685 16.033 1.00 51.34 C ATOM 672 CG2 ILE A 43 8.027 -4.861 17.716 1.00 12.12 C ATOM 673 CD1 ILE A 43 4.774 -5.111 15.579 1.00 54.11 C ATOM 0 H ILE A 43 4.860 -7.211 17.113 1.00 42.42 H new ATOM 0 HA ILE A 43 7.427 -7.011 15.875 1.00 73.11 H new ATOM 0 HB ILE A 43 5.995 -5.455 18.037 1.00 4.42 H new ATOM 0 HG12 ILE A 43 6.125 -3.630 16.306 1.00 51.34 H new ATOM 0 HG13 ILE A 43 6.844 -4.776 15.192 1.00 51.34 H new ATOM 0 HG21 ILE A 43 7.853 -3.817 17.975 1.00 12.12 H new ATOM 0 HG22 ILE A 43 8.382 -5.399 18.595 1.00 12.12 H new ATOM 0 HG23 ILE A 43 8.777 -4.919 16.928 1.00 12.12 H new ATOM 0 HD11 ILE A 43 4.460 -4.492 14.739 1.00 54.11 H new ATOM 0 HD12 ILE A 43 4.799 -6.156 15.270 1.00 54.11 H new ATOM 0 HD13 ILE A 43 4.068 -4.992 16.401 1.00 54.11 H new ATOM 685 N THR A 44 9.030 -8.053 17.465 1.00 24.31 N ATOM 686 CA THR A 44 9.928 -8.869 18.291 1.00 24.44 C ATOM 687 C THR A 44 10.540 -8.069 19.462 1.00 42.32 C ATOM 688 O THR A 44 10.619 -6.842 19.425 1.00 61.12 O ATOM 689 CB THR A 44 11.055 -9.480 17.422 1.00 52.10 C ATOM 690 OG1 THR A 44 10.501 -10.011 16.211 1.00 20.34 O ATOM 691 CG2 THR A 44 11.788 -10.598 18.161 1.00 5.22 C ATOM 0 H THR A 44 9.412 -7.807 16.552 1.00 24.31 H new ATOM 0 HA THR A 44 9.325 -9.669 18.721 1.00 24.44 H new ATOM 0 HB THR A 44 11.767 -8.686 17.197 1.00 52.10 H new ATOM 0 HG1 THR A 44 11.218 -10.395 15.664 1.00 20.34 H new ATOM 0 HG21 THR A 44 12.572 -11.004 17.522 1.00 5.22 H new ATOM 0 HG22 THR A 44 12.233 -10.200 19.073 1.00 5.22 H new ATOM 0 HG23 THR A 44 11.083 -11.389 18.416 1.00 5.22 H new ATOM 699 N LYS A 45 11.011 -8.798 20.475 1.00 62.44 N ATOM 700 CA LYS A 45 11.432 -8.226 21.771 1.00 54.53 C ATOM 701 C LYS A 45 12.478 -7.088 21.667 1.00 53.41 C ATOM 702 O LYS A 45 12.311 -6.035 22.286 1.00 42.33 O ATOM 703 CB LYS A 45 12.013 -9.366 22.618 1.00 20.24 C ATOM 704 CG LYS A 45 13.030 -10.206 21.845 1.00 1.33 C ATOM 705 CD LYS A 45 13.632 -11.327 22.679 1.00 25.42 C ATOM 706 CE LYS A 45 14.516 -12.231 21.820 1.00 13.42 C ATOM 707 NZ LYS A 45 15.592 -11.469 21.122 1.00 20.21 N1+ ATOM 0 H LYS A 45 11.115 -9.812 20.426 1.00 62.44 H new ATOM 0 HA LYS A 45 10.549 -7.772 22.221 1.00 54.53 H new ATOM 0 HB2 LYS A 45 12.489 -8.949 23.505 1.00 20.24 H new ATOM 0 HB3 LYS A 45 11.203 -10.008 22.963 1.00 20.24 H new ATOM 0 HG2 LYS A 45 12.547 -10.634 20.966 1.00 1.33 H new ATOM 0 HG3 LYS A 45 13.830 -9.558 21.486 1.00 1.33 H new ATOM 0 HD2 LYS A 45 14.220 -10.904 23.494 1.00 25.42 H new ATOM 0 HD3 LYS A 45 12.835 -11.916 23.133 1.00 25.42 H new ATOM 0 HE2 LYS A 45 14.966 -12.999 22.449 1.00 13.42 H new ATOM 0 HE3 LYS A 45 13.899 -12.744 21.082 1.00 13.42 H new ATOM 0 HZ1 LYS A 45 16.265 -12.134 20.691 1.00 20.21 H new ATOM 0 HZ2 LYS A 45 15.171 -10.873 20.381 1.00 20.21 H new ATOM 0 HZ3 LYS A 45 16.092 -10.867 21.807 1.00 20.21 H new ATOM 721 N GLU A 46 13.542 -7.282 20.887 1.00 23.23 N ATOM 722 CA GLU A 46 14.607 -6.268 20.782 1.00 11.52 C ATOM 723 C GLU A 46 14.107 -5.000 20.072 1.00 34.23 C ATOM 724 O GLU A 46 14.553 -3.888 20.369 1.00 32.34 O ATOM 725 CB GLU A 46 15.871 -6.830 20.094 1.00 33.12 C ATOM 726 CG GLU A 46 15.712 -7.188 18.618 1.00 12.14 C ATOM 727 CD GLU A 46 14.698 -8.290 18.373 1.00 21.32 C ATOM 728 OE1 GLU A 46 14.800 -9.359 19.022 1.00 55.05 O ATOM 729 OE2 GLU A 46 13.794 -8.090 17.543 1.00 31.45 O1- ATOM 0 H GLU A 46 13.694 -8.118 20.323 1.00 23.23 H new ATOM 0 HA GLU A 46 14.886 -5.992 21.799 1.00 11.52 H new ATOM 0 HB2 GLU A 46 16.671 -6.096 20.188 1.00 33.12 H new ATOM 0 HB3 GLU A 46 16.191 -7.721 20.634 1.00 33.12 H new ATOM 0 HG2 GLU A 46 15.411 -6.298 18.066 1.00 12.14 H new ATOM 0 HG3 GLU A 46 16.678 -7.498 18.220 1.00 12.14 H new ATOM 736 N ALA A 47 13.179 -5.176 19.133 1.00 14.23 N ATOM 737 CA ALA A 47 12.586 -4.050 18.408 1.00 13.13 C ATOM 738 C ALA A 47 11.914 -3.048 19.365 1.00 52.33 C ATOM 739 O ALA A 47 11.955 -1.836 19.132 1.00 41.30 O ATOM 740 CB ALA A 47 11.588 -4.559 17.376 1.00 72.52 C ATOM 0 H ALA A 47 12.820 -6.089 18.855 1.00 14.23 H new ATOM 0 HA ALA A 47 13.389 -3.521 17.895 1.00 13.13 H new ATOM 0 HB1 ALA A 47 11.153 -3.714 16.843 1.00 72.52 H new ATOM 0 HB2 ALA A 47 12.098 -5.211 16.667 1.00 72.52 H new ATOM 0 HB3 ALA A 47 10.798 -5.117 17.878 1.00 72.52 H new ATOM 746 N LEU A 48 11.308 -3.551 20.447 1.00 32.35 N ATOM 747 CA LEU A 48 10.714 -2.678 21.474 1.00 3.34 C ATOM 748 C LEU A 48 11.779 -1.774 22.110 1.00 53.52 C ATOM 749 O LEU A 48 11.573 -0.577 22.272 1.00 42.14 O ATOM 750 CB LEU A 48 10.011 -3.494 22.578 1.00 25.24 C ATOM 751 CG LEU A 48 8.638 -4.091 22.213 1.00 44.43 C ATOM 752 CD1 LEU A 48 8.769 -5.179 21.156 1.00 34.00 C ATOM 753 CD2 LEU A 48 7.940 -4.631 23.461 1.00 12.44 C ATOM 0 H LEU A 48 11.215 -4.549 20.636 1.00 32.35 H new ATOM 0 HA LEU A 48 9.970 -2.060 20.972 1.00 3.34 H new ATOM 0 HB2 LEU A 48 10.671 -4.309 22.874 1.00 25.24 H new ATOM 0 HB3 LEU A 48 9.885 -2.853 23.450 1.00 25.24 H new ATOM 0 HG LEU A 48 8.027 -3.292 21.792 1.00 44.43 H new ATOM 0 HD11 LEU A 48 7.783 -5.579 20.921 1.00 34.00 H new ATOM 0 HD12 LEU A 48 9.214 -4.758 20.254 1.00 34.00 H new ATOM 0 HD13 LEU A 48 9.404 -5.980 21.535 1.00 34.00 H new ATOM 0 HD21 LEU A 48 6.972 -5.049 23.184 1.00 12.44 H new ATOM 0 HD22 LEU A 48 8.555 -5.409 23.914 1.00 12.44 H new ATOM 0 HD23 LEU A 48 7.795 -3.821 24.176 1.00 12.44 H new ATOM 765 N GLU A 49 12.927 -2.349 22.443 1.00 51.22 N ATOM 766 CA GLU A 49 14.020 -1.584 23.049 1.00 73.41 C ATOM 767 C GLU A 49 14.630 -0.570 22.072 1.00 30.55 C ATOM 768 O GLU A 49 14.959 0.555 22.457 1.00 40.13 O ATOM 769 CB GLU A 49 15.104 -2.536 23.575 1.00 55.22 C ATOM 770 CG GLU A 49 14.794 -3.124 24.946 1.00 21.21 C ATOM 771 CD GLU A 49 14.774 -2.060 26.033 1.00 54.21 C ATOM 772 OE1 GLU A 49 15.853 -1.752 26.583 1.00 14.24 O ATOM 773 OE2 GLU A 49 13.694 -1.509 26.325 1.00 53.11 O1- ATOM 0 H GLU A 49 13.130 -3.339 22.306 1.00 51.22 H new ATOM 0 HA GLU A 49 13.600 -1.018 23.881 1.00 73.41 H new ATOM 0 HB2 GLU A 49 15.236 -3.350 22.862 1.00 55.22 H new ATOM 0 HB3 GLU A 49 16.052 -2.000 23.626 1.00 55.22 H new ATOM 0 HG2 GLU A 49 13.828 -3.627 24.914 1.00 21.21 H new ATOM 0 HG3 GLU A 49 15.539 -3.880 25.193 1.00 21.21 H new ATOM 780 N GLU A 50 14.771 -0.966 20.812 1.00 60.15 N ATOM 781 CA GLU A 50 15.419 -0.121 19.802 1.00 4.12 C ATOM 782 C GLU A 50 14.495 0.998 19.283 1.00 71.22 C ATOM 783 O GLU A 50 14.850 2.176 19.327 1.00 73.32 O ATOM 784 CB GLU A 50 15.898 -0.992 18.634 1.00 55.25 C ATOM 785 CG GLU A 50 16.624 -0.214 17.542 1.00 24.33 C ATOM 786 CD GLU A 50 17.221 -1.119 16.479 1.00 13.43 C ATOM 787 OE1 GLU A 50 16.599 -1.290 15.409 1.00 53.10 O ATOM 788 OE2 GLU A 50 18.319 -1.667 16.711 1.00 64.41 O1- ATOM 0 H GLU A 50 14.447 -1.867 20.460 1.00 60.15 H new ATOM 0 HA GLU A 50 16.269 0.366 20.280 1.00 4.12 H new ATOM 0 HB2 GLU A 50 16.563 -1.765 19.019 1.00 55.25 H new ATOM 0 HB3 GLU A 50 15.039 -1.499 18.195 1.00 55.25 H new ATOM 0 HG2 GLU A 50 15.928 0.482 17.073 1.00 24.33 H new ATOM 0 HG3 GLU A 50 17.417 0.383 17.992 1.00 24.33 H new ATOM 795 N THR A 51 13.304 0.633 18.808 1.00 60.34 N ATOM 796 CA THR A 51 12.384 1.608 18.190 1.00 14.30 C ATOM 797 C THR A 51 11.233 2.011 19.131 1.00 53.32 C ATOM 798 O THR A 51 10.377 2.822 18.767 1.00 4.31 O ATOM 799 CB THR A 51 11.807 1.069 16.858 1.00 31.51 C ATOM 800 OG1 THR A 51 11.174 -0.199 17.061 1.00 11.24 O ATOM 801 CG2 THR A 51 12.903 0.919 15.811 1.00 41.00 C ATOM 0 H THR A 51 12.949 -0.323 18.835 1.00 60.34 H new ATOM 0 HA THR A 51 12.977 2.500 17.988 1.00 14.30 H new ATOM 0 HB THR A 51 11.071 1.789 16.502 1.00 31.51 H new ATOM 0 HG1 THR A 51 11.459 -0.573 17.921 1.00 11.24 H new ATOM 0 HG21 THR A 51 12.472 0.539 14.885 1.00 41.00 H new ATOM 0 HG22 THR A 51 13.364 1.889 15.625 1.00 41.00 H new ATOM 0 HG23 THR A 51 13.659 0.221 16.173 1.00 41.00 H new ATOM 809 N ARG A 52 11.227 1.435 20.337 1.00 4.21 N ATOM 810 CA ARG A 52 10.317 1.844 21.424 1.00 41.01 C ATOM 811 C ARG A 52 8.831 1.538 21.131 1.00 41.42 C ATOM 812 O ARG A 52 7.947 2.331 21.465 1.00 63.32 O ATOM 813 CB ARG A 52 10.511 3.331 21.762 1.00 4.25 C ATOM 814 CG ARG A 52 11.967 3.728 22.025 1.00 33.44 C ATOM 815 CD ARG A 52 12.663 2.789 23.011 1.00 63.12 C ATOM 816 NE ARG A 52 11.969 2.704 24.296 1.00 33.51 N ATOM 817 CZ ARG A 52 12.249 1.827 25.225 1.00 74.12 C ATOM 818 NH1 ARG A 52 13.212 0.975 25.062 1.00 64.31 N1+ ATOM 819 NH2 ARG A 52 11.567 1.810 26.325 1.00 15.42 N ATOM 0 H ARG A 52 11.852 0.670 20.593 1.00 4.21 H new ATOM 0 HA ARG A 52 10.585 1.240 22.291 1.00 41.01 H new ATOM 0 HB2 ARG A 52 10.124 3.933 20.940 1.00 4.25 H new ATOM 0 HB3 ARG A 52 9.915 3.573 22.642 1.00 4.25 H new ATOM 0 HG2 ARG A 52 12.515 3.731 21.083 1.00 33.44 H new ATOM 0 HG3 ARG A 52 11.998 4.746 22.414 1.00 33.44 H new ATOM 0 HD2 ARG A 52 12.730 1.793 22.572 1.00 63.12 H new ATOM 0 HD3 ARG A 52 13.684 3.134 23.176 1.00 63.12 H new ATOM 0 HE ARG A 52 11.219 3.371 24.479 1.00 33.51 H new ATOM 0 HH11 ARG A 52 13.761 0.984 24.202 1.00 64.31 H new ATOM 0 HH12 ARG A 52 13.421 0.296 25.794 1.00 64.31 H new ATOM 0 HH21 ARG A 52 10.811 2.480 26.467 1.00 15.42 H new ATOM 0 HH22 ARG A 52 11.785 1.126 27.050 1.00 15.42 H new ATOM 833 N LEU A 53 8.558 0.364 20.551 1.00 32.04 N ATOM 834 CA LEU A 53 7.171 -0.081 20.294 1.00 14.14 C ATOM 835 C LEU A 53 6.337 -0.202 21.587 1.00 52.21 C ATOM 836 O LEU A 53 5.120 -0.389 21.526 1.00 20.04 O ATOM 837 CB LEU A 53 7.153 -1.422 19.532 1.00 34.31 C ATOM 838 CG LEU A 53 7.151 -1.316 17.995 1.00 72.24 C ATOM 839 CD1 LEU A 53 5.875 -0.641 17.501 1.00 41.14 C ATOM 840 CD2 LEU A 53 8.379 -0.566 17.502 1.00 12.34 C ATOM 0 H LEU A 53 9.273 -0.298 20.249 1.00 32.04 H new ATOM 0 HA LEU A 53 6.711 0.691 19.677 1.00 14.14 H new ATOM 0 HB2 LEU A 53 8.023 -2.004 19.837 1.00 34.31 H new ATOM 0 HB3 LEU A 53 6.271 -1.983 19.841 1.00 34.31 H new ATOM 0 HG LEU A 53 7.183 -2.326 17.587 1.00 72.24 H new ATOM 0 HD11 LEU A 53 5.895 -0.577 16.413 1.00 41.14 H new ATOM 0 HD12 LEU A 53 5.010 -1.225 17.814 1.00 41.14 H new ATOM 0 HD13 LEU A 53 5.807 0.362 17.922 1.00 41.14 H new ATOM 0 HD21 LEU A 53 8.355 -0.504 16.414 1.00 12.34 H new ATOM 0 HD22 LEU A 53 8.384 0.440 17.923 1.00 12.34 H new ATOM 0 HD23 LEU A 53 9.279 -1.095 17.816 1.00 12.34 H new ATOM 852 N GLY A 54 6.987 -0.098 22.749 1.00 33.32 N ATOM 853 CA GLY A 54 6.259 -0.055 24.017 1.00 40.34 C ATOM 854 C GLY A 54 5.286 1.117 24.069 1.00 70.13 C ATOM 855 O GLY A 54 4.223 1.039 24.691 1.00 43.41 O ATOM 0 H GLY A 54 8.002 -0.043 22.837 1.00 33.32 H new ATOM 0 HA2 GLY A 54 5.713 -0.988 24.155 1.00 40.34 H new ATOM 0 HA3 GLY A 54 6.968 0.024 24.841 1.00 40.34 H new ATOM 859 N LYS A 55 5.661 2.209 23.404 1.00 1.54 N ATOM 860 CA LYS A 55 4.790 3.378 23.256 1.00 3.01 C ATOM 861 C LYS A 55 3.470 2.986 22.565 1.00 32.52 C ATOM 862 O LYS A 55 2.386 3.408 22.974 1.00 24.35 O ATOM 863 CB LYS A 55 5.519 4.453 22.433 1.00 12.41 C ATOM 864 CG LYS A 55 4.743 5.755 22.264 1.00 55.13 C ATOM 865 CD LYS A 55 4.579 6.498 23.588 1.00 34.43 C ATOM 866 CE LYS A 55 3.812 7.802 23.410 1.00 12.12 C ATOM 867 NZ LYS A 55 3.646 8.531 24.695 1.00 33.23 N1+ ATOM 0 H LYS A 55 6.571 2.310 22.955 1.00 1.54 H new ATOM 0 HA LYS A 55 4.553 3.773 24.244 1.00 3.01 H new ATOM 0 HB2 LYS A 55 6.474 4.673 22.911 1.00 12.41 H new ATOM 0 HB3 LYS A 55 5.743 4.047 21.446 1.00 12.41 H new ATOM 0 HG2 LYS A 55 5.261 6.396 21.550 1.00 55.13 H new ATOM 0 HG3 LYS A 55 3.760 5.540 21.845 1.00 55.13 H new ATOM 0 HD2 LYS A 55 4.054 5.861 24.300 1.00 34.43 H new ATOM 0 HD3 LYS A 55 5.561 6.708 24.012 1.00 34.43 H new ATOM 0 HE2 LYS A 55 4.338 8.438 22.698 1.00 12.12 H new ATOM 0 HE3 LYS A 55 2.831 7.590 22.984 1.00 12.12 H new ATOM 0 HZ1 LYS A 55 3.119 9.412 24.529 1.00 33.23 H new ATOM 0 HZ2 LYS A 55 3.121 7.935 25.367 1.00 33.23 H new ATOM 0 HZ3 LYS A 55 4.581 8.756 25.090 1.00 33.23 H new ATOM 881 N LEU A 56 3.580 2.154 21.528 1.00 11.53 N ATOM 882 CA LEU A 56 2.416 1.654 20.784 1.00 43.33 C ATOM 883 C LEU A 56 1.488 0.811 21.678 1.00 30.41 C ATOM 884 O LEU A 56 0.264 0.894 21.562 1.00 32.51 O ATOM 885 CB LEU A 56 2.898 0.840 19.560 1.00 31.31 C ATOM 886 CG LEU A 56 1.812 0.100 18.737 1.00 54.34 C ATOM 887 CD1 LEU A 56 2.257 -0.073 17.286 1.00 52.11 C ATOM 888 CD2 LEU A 56 1.494 -1.273 19.337 1.00 43.24 C ATOM 0 H LEU A 56 4.473 1.807 21.179 1.00 11.53 H new ATOM 0 HA LEU A 56 1.832 2.508 20.440 1.00 43.33 H new ATOM 0 HB2 LEU A 56 3.429 1.517 18.890 1.00 31.31 H new ATOM 0 HB3 LEU A 56 3.622 0.103 19.907 1.00 31.31 H new ATOM 0 HG LEU A 56 0.911 0.712 18.769 1.00 54.34 H new ATOM 0 HD11 LEU A 56 1.480 -0.595 16.727 1.00 52.11 H new ATOM 0 HD12 LEU A 56 2.430 0.906 16.839 1.00 52.11 H new ATOM 0 HD13 LEU A 56 3.179 -0.654 17.255 1.00 52.11 H new ATOM 0 HD21 LEU A 56 0.729 -1.764 18.736 1.00 43.24 H new ATOM 0 HD22 LEU A 56 2.397 -1.884 19.346 1.00 43.24 H new ATOM 0 HD23 LEU A 56 1.130 -1.149 20.357 1.00 43.24 H new ATOM 900 N ILE A 57 2.077 0.023 22.580 1.00 11.11 N ATOM 901 CA ILE A 57 1.310 -0.906 23.429 1.00 72.20 C ATOM 902 C ILE A 57 0.258 -0.171 24.277 1.00 4.35 C ATOM 903 O ILE A 57 -0.867 -0.650 24.451 1.00 50.33 O ATOM 904 CB ILE A 57 2.251 -1.710 24.368 1.00 41.42 C ATOM 905 CG1 ILE A 57 3.267 -2.523 23.545 1.00 23.54 C ATOM 906 CG2 ILE A 57 1.448 -2.629 25.291 1.00 3.55 C ATOM 907 CD1 ILE A 57 4.252 -3.313 24.386 1.00 52.44 C ATOM 0 H ILE A 57 3.083 0.006 22.745 1.00 11.11 H new ATOM 0 HA ILE A 57 0.796 -1.592 22.756 1.00 72.20 H new ATOM 0 HB ILE A 57 2.797 -1.001 24.990 1.00 41.42 H new ATOM 0 HG12 ILE A 57 2.725 -3.211 22.896 1.00 23.54 H new ATOM 0 HG13 ILE A 57 3.821 -1.844 22.897 1.00 23.54 H new ATOM 0 HG21 ILE A 57 2.130 -3.181 25.938 1.00 3.55 H new ATOM 0 HG22 ILE A 57 0.772 -2.031 25.902 1.00 3.55 H new ATOM 0 HG23 ILE A 57 0.869 -3.331 24.691 1.00 3.55 H new ATOM 0 HD11 ILE A 57 4.933 -3.858 23.733 1.00 52.44 H new ATOM 0 HD12 ILE A 57 4.822 -2.630 25.016 1.00 52.44 H new ATOM 0 HD13 ILE A 57 3.709 -4.019 25.015 1.00 52.44 H new ATOM 919 N ASN A 58 0.626 1.000 24.788 1.00 14.31 N ATOM 920 CA ASN A 58 -0.286 1.814 25.596 1.00 40.32 C ATOM 921 C ASN A 58 -1.512 2.267 24.787 1.00 45.11 C ATOM 922 O ASN A 58 -2.656 2.079 25.206 1.00 13.12 O ATOM 923 CB ASN A 58 0.468 3.041 26.130 1.00 31.20 C ATOM 924 CG ASN A 58 -0.450 4.074 26.766 1.00 71.23 C ATOM 925 OD1 ASN A 58 -0.731 4.021 27.959 1.00 53.21 O ATOM 926 ND2 ASN A 58 -0.921 5.028 25.982 1.00 4.51 N ATOM 0 H ASN A 58 1.551 1.410 24.658 1.00 14.31 H new ATOM 0 HA ASN A 58 -0.644 1.203 26.425 1.00 40.32 H new ATOM 0 HB2 ASN A 58 1.204 2.716 26.865 1.00 31.20 H new ATOM 0 HB3 ASN A 58 1.018 3.507 25.312 1.00 31.20 H new ATOM 0 HD21 ASN A 58 -1.536 5.746 26.365 1.00 4.51 H new ATOM 0 HD22 ASN A 58 -0.670 5.046 24.994 1.00 4.51 H new ATOM 933 N ASP A 59 -1.263 2.861 23.627 1.00 0.32 N ATOM 934 CA ASP A 59 -2.330 3.424 22.799 1.00 12.32 C ATOM 935 C ASP A 59 -3.186 2.350 22.108 1.00 55.22 C ATOM 936 O ASP A 59 -4.412 2.458 22.073 1.00 2.44 O ATOM 937 CB ASP A 59 -1.726 4.383 21.774 1.00 54.15 C ATOM 938 CG ASP A 59 -1.087 5.583 22.449 1.00 43.24 C ATOM 939 OD1 ASP A 59 -1.693 6.671 22.429 1.00 44.32 O ATOM 940 OD2 ASP A 59 0.004 5.436 23.031 1.00 65.30 O1- ATOM 0 H ASP A 59 -0.328 2.967 23.234 1.00 0.32 H new ATOM 0 HA ASP A 59 -3.006 3.967 23.459 1.00 12.32 H new ATOM 0 HB2 ASP A 59 -0.979 3.858 21.178 1.00 54.15 H new ATOM 0 HB3 ASP A 59 -2.502 4.720 21.087 1.00 54.15 H new ATOM 945 N VAL A 60 -2.545 1.311 21.573 1.00 22.23 N ATOM 946 CA VAL A 60 -3.252 0.285 20.792 1.00 41.42 C ATOM 947 C VAL A 60 -4.337 -0.431 21.616 1.00 30.33 C ATOM 948 O VAL A 60 -5.391 -0.781 21.093 1.00 12.41 O ATOM 949 CB VAL A 60 -2.276 -0.767 20.198 1.00 62.21 C ATOM 950 CG1 VAL A 60 -1.631 -1.613 21.295 1.00 64.24 C ATOM 951 CG2 VAL A 60 -2.987 -1.651 19.172 1.00 52.34 C ATOM 0 H VAL A 60 -1.541 1.154 21.663 1.00 22.23 H new ATOM 0 HA VAL A 60 -3.736 0.818 19.973 1.00 41.42 H new ATOM 0 HB VAL A 60 -1.478 -0.227 19.688 1.00 62.21 H new ATOM 0 HG11 VAL A 60 -0.954 -2.339 20.844 1.00 64.24 H new ATOM 0 HG12 VAL A 60 -1.072 -0.967 21.972 1.00 64.24 H new ATOM 0 HG13 VAL A 60 -2.406 -2.138 21.853 1.00 64.24 H new ATOM 0 HG21 VAL A 60 -2.283 -2.380 18.770 1.00 52.34 H new ATOM 0 HG22 VAL A 60 -3.815 -2.173 19.653 1.00 52.34 H new ATOM 0 HG23 VAL A 60 -3.370 -1.031 18.361 1.00 52.34 H new ATOM 961 N ARG A 61 -4.081 -0.633 22.908 1.00 62.42 N ATOM 962 CA ARG A 61 -5.043 -1.306 23.791 1.00 72.42 C ATOM 963 C ARG A 61 -6.385 -0.547 23.858 1.00 14.23 C ATOM 964 O ARG A 61 -7.457 -1.156 23.891 1.00 51.52 O ATOM 965 CB ARG A 61 -4.440 -1.462 25.196 1.00 22.43 C ATOM 966 CG ARG A 61 -5.380 -2.108 26.214 1.00 41.04 C ATOM 967 CD ARG A 61 -4.676 -2.390 27.541 1.00 31.32 C ATOM 968 NE ARG A 61 -4.053 -1.193 28.106 1.00 35.22 N ATOM 969 CZ ARG A 61 -3.185 -1.207 29.085 1.00 14.10 C ATOM 970 NH1 ARG A 61 -2.864 -2.317 29.668 1.00 1.21 N1+ ATOM 971 NH2 ARG A 61 -2.652 -0.102 29.493 1.00 72.12 N ATOM 0 H ARG A 61 -3.219 -0.342 23.369 1.00 62.42 H new ATOM 0 HA ARG A 61 -5.250 -2.293 23.376 1.00 72.42 H new ATOM 0 HB2 ARG A 61 -3.532 -2.061 25.125 1.00 22.43 H new ATOM 0 HB3 ARG A 61 -4.145 -0.479 25.564 1.00 22.43 H new ATOM 0 HG2 ARG A 61 -6.233 -1.452 26.388 1.00 41.04 H new ATOM 0 HG3 ARG A 61 -5.772 -3.040 25.806 1.00 41.04 H new ATOM 0 HD2 ARG A 61 -5.396 -2.792 28.253 1.00 31.32 H new ATOM 0 HD3 ARG A 61 -3.915 -3.156 27.390 1.00 31.32 H new ATOM 0 HE ARG A 61 -4.312 -0.289 27.711 1.00 35.22 H new ATOM 0 HH11 ARG A 61 -3.289 -3.193 29.365 1.00 1.21 H new ATOM 0 HH12 ARG A 61 -2.186 -2.315 30.430 1.00 1.21 H new ATOM 0 HH21 ARG A 61 -2.908 0.781 29.052 1.00 72.12 H new ATOM 0 HH22 ARG A 61 -1.975 -0.113 30.256 1.00 72.12 H new ATOM 985 N LYS A 62 -6.319 0.781 23.886 1.00 12.31 N ATOM 986 CA LYS A 62 -7.525 1.622 23.925 1.00 31.31 C ATOM 987 C LYS A 62 -8.040 1.948 22.508 1.00 25.44 C ATOM 988 O LYS A 62 -9.246 2.037 22.280 1.00 23.33 O ATOM 989 CB LYS A 62 -7.215 2.915 24.710 1.00 35.15 C ATOM 990 CG LYS A 62 -8.403 3.865 24.905 1.00 32.12 C ATOM 991 CD LYS A 62 -8.573 4.841 23.739 1.00 22.35 C ATOM 992 CE LYS A 62 -9.714 5.825 23.980 1.00 64.53 C ATOM 993 NZ LYS A 62 -11.029 5.141 24.095 1.00 50.02 N1+ ATOM 0 H LYS A 62 -5.444 1.305 23.883 1.00 12.31 H new ATOM 0 HA LYS A 62 -8.319 1.071 24.430 1.00 31.31 H new ATOM 0 HB2 LYS A 62 -6.826 2.641 25.691 1.00 35.15 H new ATOM 0 HB3 LYS A 62 -6.422 3.454 24.192 1.00 35.15 H new ATOM 0 HG2 LYS A 62 -9.316 3.281 25.021 1.00 32.12 H new ATOM 0 HG3 LYS A 62 -8.266 4.428 25.828 1.00 32.12 H new ATOM 0 HD2 LYS A 62 -7.645 5.392 23.589 1.00 22.35 H new ATOM 0 HD3 LYS A 62 -8.764 4.282 22.823 1.00 22.35 H new ATOM 0 HE2 LYS A 62 -9.519 6.389 24.892 1.00 64.53 H new ATOM 0 HE3 LYS A 62 -9.751 6.544 23.162 1.00 64.53 H new ATOM 0 HZ1 LYS A 62 -11.788 5.851 24.122 1.00 50.02 H new ATOM 0 HZ2 LYS A 62 -11.168 4.516 23.275 1.00 50.02 H new ATOM 0 HZ3 LYS A 62 -11.052 4.577 24.968 1.00 50.02 H new ATOM 1007 N LYS A 63 -7.119 2.110 21.559 1.00 20.52 N ATOM 1008 CA LYS A 63 -7.456 2.578 20.201 1.00 11.22 C ATOM 1009 C LYS A 63 -7.535 1.429 19.175 1.00 64.32 C ATOM 1010 O LYS A 63 -7.550 1.660 17.965 1.00 32.34 O ATOM 1011 CB LYS A 63 -6.429 3.637 19.772 1.00 1.21 C ATOM 1012 CG LYS A 63 -6.501 4.913 20.619 1.00 30.02 C ATOM 1013 CD LYS A 63 -5.220 5.741 20.565 1.00 51.21 C ATOM 1014 CE LYS A 63 -5.321 6.966 21.472 1.00 33.20 C ATOM 1015 NZ LYS A 63 -4.033 7.696 21.577 1.00 23.10 N1+ ATOM 0 H LYS A 63 -6.126 1.925 21.700 1.00 20.52 H new ATOM 0 HA LYS A 63 -8.453 3.018 20.229 1.00 11.22 H new ATOM 0 HB2 LYS A 63 -5.427 3.215 19.844 1.00 1.21 H new ATOM 0 HB3 LYS A 63 -6.593 3.892 18.725 1.00 1.21 H new ATOM 0 HG2 LYS A 63 -7.336 5.524 20.275 1.00 30.02 H new ATOM 0 HG3 LYS A 63 -6.709 4.643 21.654 1.00 30.02 H new ATOM 0 HD2 LYS A 63 -4.373 5.127 20.870 1.00 51.21 H new ATOM 0 HD3 LYS A 63 -5.031 6.058 19.539 1.00 51.21 H new ATOM 0 HE2 LYS A 63 -6.087 7.639 21.086 1.00 33.20 H new ATOM 0 HE3 LYS A 63 -5.642 6.654 22.466 1.00 33.20 H new ATOM 0 HZ1 LYS A 63 -4.159 8.538 22.175 1.00 23.10 H new ATOM 0 HZ2 LYS A 63 -3.315 7.074 22.001 1.00 23.10 H new ATOM 0 HZ3 LYS A 63 -3.721 7.988 20.629 1.00 23.10 H new ATOM 1029 N THR A 64 -7.598 0.196 19.673 1.00 72.13 N ATOM 1030 CA THR A 64 -7.782 -0.994 18.824 1.00 2.12 C ATOM 1031 C THR A 64 -9.185 -1.045 18.197 1.00 71.53 C ATOM 1032 O THR A 64 -10.091 -0.321 18.616 1.00 23.43 O ATOM 1033 CB THR A 64 -7.550 -2.309 19.610 1.00 11.33 C ATOM 1034 OG1 THR A 64 -7.762 -3.444 18.753 1.00 13.44 O ATOM 1035 CG2 THR A 64 -8.477 -2.402 20.818 1.00 25.43 C ATOM 0 H THR A 64 -7.524 -0.013 20.669 1.00 72.13 H new ATOM 0 HA THR A 64 -7.036 -0.907 18.034 1.00 2.12 H new ATOM 0 HB THR A 64 -6.519 -2.307 19.965 1.00 11.33 H new ATOM 0 HG1 THR A 64 -7.318 -4.230 19.135 1.00 13.44 H new ATOM 0 HG21 THR A 64 -8.290 -3.335 21.349 1.00 25.43 H new ATOM 0 HG22 THR A 64 -8.290 -1.561 21.486 1.00 25.43 H new ATOM 0 HG23 THR A 64 -9.514 -2.376 20.484 1.00 25.43 H new ATOM 1043 N LYS A 65 -9.345 -1.895 17.177 1.00 52.02 N ATOM 1044 CA LYS A 65 -10.635 -2.077 16.485 1.00 73.22 C ATOM 1045 C LYS A 65 -11.801 -2.254 17.479 1.00 23.40 C ATOM 1046 O LYS A 65 -12.779 -1.505 17.453 1.00 13.01 O ATOM 1047 CB LYS A 65 -10.563 -3.306 15.558 1.00 43.14 C ATOM 1048 CG LYS A 65 -9.496 -3.201 14.469 1.00 42.44 C ATOM 1049 CD LYS A 65 -9.439 -4.454 13.588 1.00 30.34 C ATOM 1050 CE LYS A 65 -9.008 -5.692 14.372 1.00 74.53 C ATOM 1051 NZ LYS A 65 -8.813 -6.880 13.495 1.00 53.25 N1+ ATOM 0 H LYS A 65 -8.592 -2.475 16.806 1.00 52.02 H new ATOM 0 HA LYS A 65 -10.824 -1.177 15.901 1.00 73.22 H new ATOM 0 HB2 LYS A 65 -10.366 -4.192 16.161 1.00 43.14 H new ATOM 0 HB3 LYS A 65 -11.535 -3.451 15.087 1.00 43.14 H new ATOM 0 HG2 LYS A 65 -9.700 -2.330 13.846 1.00 42.44 H new ATOM 0 HG3 LYS A 65 -8.522 -3.040 14.932 1.00 42.44 H new ATOM 0 HD2 LYS A 65 -10.419 -4.630 13.145 1.00 30.34 H new ATOM 0 HD3 LYS A 65 -8.743 -4.286 12.766 1.00 30.34 H new ATOM 0 HE2 LYS A 65 -8.080 -5.478 14.901 1.00 74.53 H new ATOM 0 HE3 LYS A 65 -9.760 -5.921 15.127 1.00 74.53 H new ATOM 0 HZ1 LYS A 65 -8.316 -7.625 14.024 1.00 53.25 H new ATOM 0 HZ2 LYS A 65 -9.739 -7.236 13.182 1.00 53.25 H new ATOM 0 HZ3 LYS A 65 -8.248 -6.610 12.665 1.00 53.25 H new ATOM 1065 N ASN A 66 -11.691 -3.259 18.345 1.00 4.23 N ATOM 1066 CA ASN A 66 -12.725 -3.548 19.350 1.00 15.04 C ATOM 1067 C ASN A 66 -12.112 -3.579 20.761 1.00 52.15 C ATOM 1068 O ASN A 66 -11.115 -4.267 20.992 1.00 53.43 O ATOM 1069 CB ASN A 66 -13.394 -4.894 19.028 1.00 21.32 C ATOM 1070 CG ASN A 66 -14.634 -5.167 19.863 1.00 63.10 C ATOM 1071 OD1 ASN A 66 -14.776 -4.676 20.976 1.00 51.10 O ATOM 1072 ND2 ASN A 66 -15.532 -5.972 19.338 1.00 63.35 N ATOM 0 H ASN A 66 -10.893 -3.893 18.375 1.00 4.23 H new ATOM 0 HA ASN A 66 -13.477 -2.759 19.323 1.00 15.04 H new ATOM 0 HB2 ASN A 66 -13.664 -4.913 17.972 1.00 21.32 H new ATOM 0 HB3 ASN A 66 -12.674 -5.697 19.187 1.00 21.32 H new ATOM 0 HD21 ASN A 66 -16.377 -6.204 19.861 1.00 63.35 H new ATOM 0 HD22 ASN A 66 -15.384 -6.364 18.408 1.00 63.35 H new ATOM 1079 N GLU A 67 -12.706 -2.848 21.706 1.00 5.11 N ATOM 1080 CA GLU A 67 -12.192 -2.814 23.082 1.00 53.23 C ATOM 1081 C GLU A 67 -12.233 -4.211 23.734 1.00 51.50 C ATOM 1082 O GLU A 67 -11.382 -4.542 24.564 1.00 41.32 O ATOM 1083 CB GLU A 67 -12.967 -1.793 23.933 1.00 21.41 C ATOM 1084 CG GLU A 67 -12.372 -1.578 25.324 1.00 11.44 C ATOM 1085 CD GLU A 67 -13.044 -0.453 26.098 1.00 1.20 C ATOM 1086 OE1 GLU A 67 -13.965 -0.731 26.895 1.00 12.33 O ATOM 1087 OE2 GLU A 67 -12.640 0.718 25.927 1.00 4.42 O1- ATOM 0 H GLU A 67 -13.536 -2.276 21.549 1.00 5.11 H new ATOM 0 HA GLU A 67 -11.149 -2.500 23.035 1.00 53.23 H new ATOM 0 HB2 GLU A 67 -12.993 -0.839 23.407 1.00 21.41 H new ATOM 0 HB3 GLU A 67 -13.999 -2.128 24.036 1.00 21.41 H new ATOM 0 HG2 GLU A 67 -12.456 -2.503 25.895 1.00 11.44 H new ATOM 0 HG3 GLU A 67 -11.309 -1.359 25.227 1.00 11.44 H new ATOM 1094 N GLU A 68 -13.222 -5.028 23.356 1.00 12.13 N ATOM 1095 CA GLU A 68 -13.264 -6.440 23.772 1.00 61.14 C ATOM 1096 C GLU A 68 -12.051 -7.205 23.218 1.00 63.21 C ATOM 1097 O GLU A 68 -11.456 -8.042 23.900 1.00 23.41 O ATOM 1098 CB GLU A 68 -14.558 -7.120 23.292 1.00 12.23 C ATOM 1099 CG GLU A 68 -15.831 -6.592 23.950 1.00 61.01 C ATOM 1100 CD GLU A 68 -17.079 -7.339 23.496 1.00 23.21 C ATOM 1101 OE1 GLU A 68 -17.904 -6.751 22.759 1.00 60.54 O ATOM 1102 OE2 GLU A 68 -17.235 -8.527 23.866 1.00 0.10 O1- ATOM 0 H GLU A 68 -14.002 -4.740 22.765 1.00 12.13 H new ATOM 0 HA GLU A 68 -13.237 -6.462 24.861 1.00 61.14 H new ATOM 0 HB2 GLU A 68 -14.642 -6.993 22.213 1.00 12.23 H new ATOM 0 HB3 GLU A 68 -14.483 -8.191 23.482 1.00 12.23 H new ATOM 0 HG2 GLU A 68 -15.737 -6.674 25.033 1.00 61.01 H new ATOM 0 HG3 GLU A 68 -15.942 -5.533 23.719 1.00 61.01 H new ATOM 1109 N LEU A 69 -11.688 -6.887 21.976 1.00 52.22 N ATOM 1110 CA LEU A 69 -10.546 -7.515 21.301 1.00 13.41 C ATOM 1111 C LEU A 69 -9.245 -7.253 22.075 1.00 20.41 C ATOM 1112 O LEU A 69 -8.365 -8.106 22.120 1.00 73.51 O ATOM 1113 CB LEU A 69 -10.449 -7.002 19.847 1.00 62.41 C ATOM 1114 CG LEU A 69 -9.514 -7.782 18.891 1.00 33.45 C ATOM 1115 CD1 LEU A 69 -9.909 -7.527 17.437 1.00 72.14 C ATOM 1116 CD2 LEU A 69 -8.047 -7.406 19.105 1.00 52.54 C ATOM 0 H LEU A 69 -12.172 -6.191 21.409 1.00 52.22 H new ATOM 0 HA LEU A 69 -10.699 -8.594 21.275 1.00 13.41 H new ATOM 0 HB2 LEU A 69 -11.451 -7.005 19.419 1.00 62.41 H new ATOM 0 HB3 LEU A 69 -10.117 -5.964 19.875 1.00 62.41 H new ATOM 0 HG LEU A 69 -9.626 -8.843 19.116 1.00 33.45 H new ATOM 0 HD11 LEU A 69 -9.243 -8.082 16.776 1.00 72.14 H new ATOM 0 HD12 LEU A 69 -10.936 -7.855 17.276 1.00 72.14 H new ATOM 0 HD13 LEU A 69 -9.830 -6.462 17.220 1.00 72.14 H new ATOM 0 HD21 LEU A 69 -7.422 -7.974 18.416 1.00 52.54 H new ATOM 0 HD22 LEU A 69 -7.914 -6.340 18.921 1.00 52.54 H new ATOM 0 HD23 LEU A 69 -7.758 -7.636 20.131 1.00 52.54 H new ATOM 1128 N ALA A 70 -9.135 -6.076 22.689 1.00 32.31 N ATOM 1129 CA ALA A 70 -7.943 -5.713 23.467 1.00 22.54 C ATOM 1130 C ALA A 70 -7.638 -6.742 24.572 1.00 10.33 C ATOM 1131 O ALA A 70 -6.476 -7.046 24.845 1.00 32.54 O ATOM 1132 CB ALA A 70 -8.116 -4.328 24.073 1.00 41.20 C ATOM 0 H ALA A 70 -9.855 -5.354 22.665 1.00 32.31 H new ATOM 0 HA ALA A 70 -7.094 -5.707 22.783 1.00 22.54 H new ATOM 0 HB1 ALA A 70 -7.227 -4.069 24.648 1.00 41.20 H new ATOM 0 HB2 ALA A 70 -8.259 -3.598 23.277 1.00 41.20 H new ATOM 0 HB3 ALA A 70 -8.986 -4.324 24.729 1.00 41.20 H new ATOM 1138 N LYS A 71 -8.688 -7.284 25.193 1.00 53.21 N ATOM 1139 CA LYS A 71 -8.526 -8.334 26.211 1.00 35.13 C ATOM 1140 C LYS A 71 -7.923 -9.603 25.588 1.00 23.15 C ATOM 1141 O LYS A 71 -7.104 -10.294 26.204 1.00 51.20 O ATOM 1142 CB LYS A 71 -9.874 -8.664 26.879 1.00 15.44 C ATOM 1143 CG LYS A 71 -10.388 -7.590 27.843 1.00 53.23 C ATOM 1144 CD LYS A 71 -10.777 -6.297 27.128 1.00 65.04 C ATOM 1145 CE LYS A 71 -11.269 -5.233 28.104 1.00 63.14 C ATOM 1146 NZ LYS A 71 -11.681 -3.986 27.405 1.00 12.13 N1+ ATOM 0 H LYS A 71 -9.656 -7.018 25.013 1.00 53.21 H new ATOM 0 HA LYS A 71 -7.844 -7.959 26.974 1.00 35.13 H new ATOM 0 HB2 LYS A 71 -10.621 -8.823 26.101 1.00 15.44 H new ATOM 0 HB3 LYS A 71 -9.775 -9.604 27.422 1.00 15.44 H new ATOM 0 HG2 LYS A 71 -11.252 -7.976 28.384 1.00 53.23 H new ATOM 0 HG3 LYS A 71 -9.619 -7.374 28.584 1.00 53.23 H new ATOM 0 HD2 LYS A 71 -9.918 -5.914 26.577 1.00 65.04 H new ATOM 0 HD3 LYS A 71 -11.557 -6.507 26.397 1.00 65.04 H new ATOM 0 HE2 LYS A 71 -12.112 -5.625 28.674 1.00 63.14 H new ATOM 0 HE3 LYS A 71 -10.479 -5.004 28.820 1.00 63.14 H new ATOM 0 HZ1 LYS A 71 -11.080 -3.197 27.718 1.00 12.13 H new ATOM 0 HZ2 LYS A 71 -11.578 -4.113 26.378 1.00 12.13 H new ATOM 0 HZ3 LYS A 71 -12.674 -3.774 27.629 1.00 12.13 H new ATOM 1160 N ARG A 72 -8.339 -9.897 24.359 1.00 10.22 N ATOM 1161 CA ARG A 72 -7.787 -11.013 23.582 1.00 24.44 C ATOM 1162 C ARG A 72 -6.352 -10.695 23.129 1.00 44.41 C ATOM 1163 O ARG A 72 -5.483 -11.566 23.099 1.00 43.21 O ATOM 1164 CB ARG A 72 -8.685 -11.281 22.366 1.00 45.12 C ATOM 1165 CG ARG A 72 -8.314 -12.522 21.560 1.00 72.35 C ATOM 1166 CD ARG A 72 -9.253 -12.701 20.372 1.00 23.02 C ATOM 1167 NE ARG A 72 -10.655 -12.700 20.788 1.00 14.20 N ATOM 1168 CZ ARG A 72 -11.581 -11.937 20.271 1.00 51.32 C ATOM 1169 NH1 ARG A 72 -11.307 -11.127 19.295 1.00 61.33 N1+ ATOM 1170 NH2 ARG A 72 -12.786 -11.988 20.734 1.00 0.34 N ATOM 0 H ARG A 72 -9.066 -9.373 23.871 1.00 10.22 H new ATOM 0 HA ARG A 72 -7.755 -11.904 24.209 1.00 24.44 H new ATOM 0 HB2 ARG A 72 -9.715 -11.381 22.707 1.00 45.12 H new ATOM 0 HB3 ARG A 72 -8.650 -10.413 21.708 1.00 45.12 H new ATOM 0 HG2 ARG A 72 -7.286 -12.437 21.207 1.00 72.35 H new ATOM 0 HG3 ARG A 72 -8.359 -13.403 22.200 1.00 72.35 H new ATOM 0 HD2 ARG A 72 -9.086 -11.900 19.652 1.00 23.02 H new ATOM 0 HD3 ARG A 72 -9.024 -13.638 19.865 1.00 23.02 H new ATOM 0 HE ARG A 72 -10.929 -13.340 21.534 1.00 14.20 H new ATOM 0 HH11 ARG A 72 -10.359 -11.080 18.922 1.00 61.33 H new ATOM 0 HH12 ARG A 72 -12.040 -10.537 18.901 1.00 61.33 H new ATOM 0 HH21 ARG A 72 -13.011 -12.622 21.500 1.00 0.34 H new ATOM 0 HH22 ARG A 72 -13.512 -11.394 20.333 1.00 0.34 H new ATOM 1184 N ALA A 73 -6.116 -9.428 22.794 1.00 33.35 N ATOM 1185 CA ALA A 73 -4.791 -8.948 22.393 1.00 22.34 C ATOM 1186 C ALA A 73 -3.777 -9.129 23.528 1.00 30.03 C ATOM 1187 O ALA A 73 -2.595 -9.368 23.287 1.00 25.12 O ATOM 1188 CB ALA A 73 -4.865 -7.486 21.968 1.00 40.03 C ATOM 0 H ALA A 73 -6.835 -8.705 22.792 1.00 33.35 H new ATOM 0 HA ALA A 73 -4.454 -9.541 21.543 1.00 22.34 H new ATOM 0 HB1 ALA A 73 -3.874 -7.142 21.673 1.00 40.03 H new ATOM 0 HB2 ALA A 73 -5.550 -7.386 21.126 1.00 40.03 H new ATOM 0 HB3 ALA A 73 -5.225 -6.883 22.801 1.00 40.03 H new ATOM 1194 N LYS A 74 -4.261 -9.029 24.767 1.00 34.24 N ATOM 1195 CA LYS A 74 -3.426 -9.220 25.958 1.00 62.11 C ATOM 1196 C LYS A 74 -2.668 -10.558 25.862 1.00 24.52 C ATOM 1197 O LYS A 74 -1.512 -10.657 26.272 1.00 63.32 O ATOM 1198 CB LYS A 74 -4.317 -9.169 27.219 1.00 43.42 C ATOM 1199 CG LYS A 74 -3.588 -8.860 28.534 1.00 0.55 C ATOM 1200 CD LYS A 74 -2.759 -10.037 29.048 1.00 25.01 C ATOM 1201 CE LYS A 74 -2.229 -9.787 30.456 1.00 53.45 C ATOM 1202 NZ LYS A 74 -1.413 -8.546 30.540 1.00 35.03 N1+ ATOM 0 H LYS A 74 -5.236 -8.815 24.975 1.00 34.24 H new ATOM 0 HA LYS A 74 -2.686 -8.422 26.023 1.00 62.11 H new ATOM 0 HB2 LYS A 74 -5.089 -8.415 27.066 1.00 43.42 H new ATOM 0 HB3 LYS A 74 -4.825 -10.128 27.322 1.00 43.42 H new ATOM 0 HG2 LYS A 74 -2.935 -7.999 28.388 1.00 0.55 H new ATOM 0 HG3 LYS A 74 -4.320 -8.580 29.292 1.00 0.55 H new ATOM 0 HD2 LYS A 74 -3.370 -10.940 29.045 1.00 25.01 H new ATOM 0 HD3 LYS A 74 -1.923 -10.215 28.372 1.00 25.01 H new ATOM 0 HE2 LYS A 74 -3.067 -9.716 31.150 1.00 53.45 H new ATOM 0 HE3 LYS A 74 -1.625 -10.638 30.771 1.00 53.45 H new ATOM 0 HZ1 LYS A 74 -0.951 -8.497 31.470 1.00 35.03 H new ATOM 0 HZ2 LYS A 74 -0.689 -8.555 29.793 1.00 35.03 H new ATOM 0 HZ3 LYS A 74 -2.028 -7.717 30.415 1.00 35.03 H new ATOM 1216 N LYS A 75 -3.325 -11.579 25.305 1.00 41.22 N ATOM 1217 CA LYS A 75 -2.675 -12.870 25.028 1.00 51.32 C ATOM 1218 C LYS A 75 -1.424 -12.688 24.143 1.00 11.04 C ATOM 1219 O LYS A 75 -0.359 -13.233 24.433 1.00 73.00 O ATOM 1220 CB LYS A 75 -3.660 -13.817 24.319 1.00 4.51 C ATOM 1221 CG LYS A 75 -4.862 -14.241 25.163 1.00 42.11 C ATOM 1222 CD LYS A 75 -4.470 -15.245 26.243 1.00 4.12 C ATOM 1223 CE LYS A 75 -5.688 -15.790 26.980 1.00 12.43 C ATOM 1224 NZ LYS A 75 -5.325 -16.891 27.910 1.00 32.12 N1+ ATOM 0 H LYS A 75 -4.308 -11.540 25.035 1.00 41.22 H new ATOM 0 HA LYS A 75 -2.369 -13.299 25.982 1.00 51.32 H new ATOM 0 HB2 LYS A 75 -4.023 -13.330 23.414 1.00 4.51 H new ATOM 0 HB3 LYS A 75 -3.121 -14.711 24.005 1.00 4.51 H new ATOM 0 HG2 LYS A 75 -5.308 -13.362 25.628 1.00 42.11 H new ATOM 0 HG3 LYS A 75 -5.623 -14.680 24.517 1.00 42.11 H new ATOM 0 HD2 LYS A 75 -3.921 -16.070 25.790 1.00 4.12 H new ATOM 0 HD3 LYS A 75 -3.798 -14.768 26.956 1.00 4.12 H new ATOM 0 HE2 LYS A 75 -6.165 -14.985 27.539 1.00 12.43 H new ATOM 0 HE3 LYS A 75 -6.419 -16.152 26.256 1.00 12.43 H new ATOM 0 HZ1 LYS A 75 -6.180 -17.235 28.392 1.00 32.12 H new ATOM 0 HZ2 LYS A 75 -4.893 -17.670 27.374 1.00 32.12 H new ATOM 0 HZ3 LYS A 75 -4.647 -16.540 28.616 1.00 32.12 H new ATOM 1238 N LEU A 76 -1.567 -11.909 23.069 1.00 5.21 N ATOM 1239 CA LEU A 76 -0.463 -11.637 22.132 1.00 2.03 C ATOM 1240 C LEU A 76 0.636 -10.781 22.787 1.00 64.53 C ATOM 1241 O LEU A 76 1.831 -11.037 22.613 1.00 43.14 O ATOM 1242 CB LEU A 76 -1.008 -10.922 20.883 1.00 0.43 C ATOM 1243 CG LEU A 76 0.038 -10.527 19.822 1.00 11.11 C ATOM 1244 CD1 LEU A 76 0.725 -11.762 19.244 1.00 74.14 C ATOM 1245 CD2 LEU A 76 -0.608 -9.699 18.712 1.00 73.14 C ATOM 0 H LEU A 76 -2.443 -11.449 22.821 1.00 5.21 H new ATOM 0 HA LEU A 76 -0.019 -12.591 21.847 1.00 2.03 H new ATOM 0 HB2 LEU A 76 -1.748 -11.569 20.412 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -1.530 -10.020 21.203 1.00 0.43 H new ATOM 0 HG LEU A 76 0.799 -9.916 20.308 1.00 11.11 H new ATOM 0 HD11 LEU A 76 1.458 -11.455 18.498 1.00 74.14 H new ATOM 0 HD12 LEU A 76 1.227 -12.307 20.044 1.00 74.14 H new ATOM 0 HD13 LEU A 76 -0.019 -12.407 18.777 1.00 74.14 H new ATOM 0 HD21 LEU A 76 0.146 -9.430 17.973 1.00 73.14 H new ATOM 0 HD22 LEU A 76 -1.394 -10.283 18.233 1.00 73.14 H new ATOM 0 HD23 LEU A 76 -1.038 -8.793 19.138 1.00 73.14 H new ATOM 1257 N LEU A 77 0.216 -9.776 23.552 1.00 22.45 N ATOM 1258 CA LEU A 77 1.141 -8.867 24.246 1.00 13.53 C ATOM 1259 C LEU A 77 2.122 -9.622 25.159 1.00 14.32 C ATOM 1260 O LEU A 77 3.240 -9.167 25.383 1.00 74.44 O ATOM 1261 CB LEU A 77 0.359 -7.815 25.054 1.00 14.12 C ATOM 1262 CG LEU A 77 -0.056 -6.547 24.280 1.00 41.34 C ATOM 1263 CD1 LEU A 77 -0.847 -6.893 23.021 1.00 53.11 C ATOM 1264 CD2 LEU A 77 -0.859 -5.612 25.181 1.00 44.22 C ATOM 0 H LEU A 77 -0.769 -9.565 23.711 1.00 22.45 H new ATOM 0 HA LEU A 77 1.732 -8.363 23.481 1.00 13.53 H new ATOM 0 HB2 LEU A 77 -0.540 -8.285 25.453 1.00 14.12 H new ATOM 0 HB3 LEU A 77 0.967 -7.514 25.907 1.00 14.12 H new ATOM 0 HG LEU A 77 0.854 -6.035 23.966 1.00 41.34 H new ATOM 0 HD11 LEU A 77 -1.123 -5.976 22.501 1.00 53.11 H new ATOM 0 HD12 LEU A 77 -0.235 -7.512 22.365 1.00 53.11 H new ATOM 0 HD13 LEU A 77 -1.749 -7.439 23.297 1.00 53.11 H new ATOM 0 HD21 LEU A 77 -1.144 -4.722 24.620 1.00 44.22 H new ATOM 0 HD22 LEU A 77 -1.756 -6.124 25.530 1.00 44.22 H new ATOM 0 HD23 LEU A 77 -0.251 -5.321 26.038 1.00 44.22 H new ATOM 1276 N ARG A 78 1.693 -10.762 25.699 1.00 34.23 N ATOM 1277 CA ARG A 78 2.549 -11.580 26.574 1.00 14.42 C ATOM 1278 C ARG A 78 3.880 -11.955 25.886 1.00 35.23 C ATOM 1279 O ARG A 78 4.929 -12.000 26.529 1.00 41.32 O ATOM 1280 CB ARG A 78 1.788 -12.843 27.013 1.00 50.12 C ATOM 1281 CG ARG A 78 0.450 -12.528 27.680 1.00 34.03 C ATOM 1282 CD ARG A 78 -0.378 -13.776 27.969 1.00 34.24 C ATOM 1283 NE ARG A 78 -1.766 -13.429 28.287 1.00 32.34 N ATOM 1284 CZ ARG A 78 -2.546 -14.132 29.059 1.00 51.22 C ATOM 1285 NH1 ARG A 78 -2.121 -15.217 29.616 1.00 20.01 N1+ ATOM 1286 NH2 ARG A 78 -3.770 -13.752 29.260 1.00 34.24 N ATOM 0 H ARG A 78 0.759 -11.145 25.549 1.00 34.23 H new ATOM 0 HA ARG A 78 2.799 -10.987 27.454 1.00 14.42 H new ATOM 0 HB2 ARG A 78 1.615 -13.477 26.144 1.00 50.12 H new ATOM 0 HB3 ARG A 78 2.408 -13.413 27.705 1.00 50.12 H new ATOM 0 HG2 ARG A 78 0.632 -11.995 28.613 1.00 34.03 H new ATOM 0 HG3 ARG A 78 -0.122 -11.859 27.037 1.00 34.03 H new ATOM 0 HD2 ARG A 78 -0.355 -14.439 27.104 1.00 34.24 H new ATOM 0 HD3 ARG A 78 0.063 -14.323 28.802 1.00 34.24 H new ATOM 0 HE ARG A 78 -2.148 -12.578 27.875 1.00 32.34 H new ATOM 0 HH11 ARG A 78 -1.165 -15.533 29.454 1.00 20.01 H new ATOM 0 HH12 ARG A 78 -2.742 -15.758 30.218 1.00 20.01 H new ATOM 0 HH21 ARG A 78 -4.121 -12.904 28.814 1.00 34.24 H new ATOM 0 HH22 ARG A 78 -4.382 -14.301 29.864 1.00 34.24 H new ATOM 1300 N SER A 79 3.837 -12.191 24.571 1.00 31.24 N ATOM 1301 CA SER A 79 5.059 -12.482 23.798 1.00 3.02 C ATOM 1302 C SER A 79 5.970 -11.246 23.720 1.00 20.13 C ATOM 1303 O SER A 79 7.186 -11.366 23.579 1.00 65.53 O ATOM 1304 CB SER A 79 4.712 -12.962 22.381 1.00 3.03 C ATOM 1305 OG SER A 79 5.881 -13.317 21.652 1.00 12.02 O ATOM 0 H SER A 79 2.979 -12.188 24.019 1.00 31.24 H new ATOM 0 HA SER A 79 5.593 -13.278 24.317 1.00 3.02 H new ATOM 0 HB2 SER A 79 4.043 -13.821 22.440 1.00 3.03 H new ATOM 0 HB3 SER A 79 4.175 -12.176 21.850 1.00 3.03 H new ATOM 0 HG SER A 79 5.628 -13.620 20.755 1.00 12.02 H new ATOM 1311 N TRP A 80 5.369 -10.057 23.803 1.00 10.01 N ATOM 1312 CA TRP A 80 6.125 -8.798 23.857 1.00 70.22 C ATOM 1313 C TRP A 80 6.696 -8.588 25.271 1.00 32.24 C ATOM 1314 O TRP A 80 7.857 -8.215 25.449 1.00 15.41 O ATOM 1315 CB TRP A 80 5.224 -7.604 23.493 1.00 2.54 C ATOM 1316 CG TRP A 80 4.578 -7.682 22.134 1.00 2.13 C ATOM 1317 CD1 TRP A 80 4.050 -8.788 21.522 1.00 30.14 C ATOM 1318 CD2 TRP A 80 4.365 -6.590 21.229 1.00 15.00 C ATOM 1319 NE1 TRP A 80 3.533 -8.449 20.298 1.00 14.32 N ATOM 1320 CE2 TRP A 80 3.714 -7.106 20.095 1.00 5.04 C ATOM 1321 CE3 TRP A 80 4.663 -5.225 21.271 1.00 63.33 C ATOM 1322 CZ2 TRP A 80 3.354 -6.307 19.014 1.00 60.44 C ATOM 1323 CZ3 TRP A 80 4.309 -4.433 20.196 1.00 42.33 C ATOM 1324 CH2 TRP A 80 3.659 -4.976 19.081 1.00 13.40 C ATOM 0 H TRP A 80 4.357 -9.937 23.835 1.00 10.01 H new ATOM 0 HA TRP A 80 6.940 -8.860 23.136 1.00 70.22 H new ATOM 0 HB2 TRP A 80 4.441 -7.517 24.246 1.00 2.54 H new ATOM 0 HB3 TRP A 80 5.818 -6.692 23.544 1.00 2.54 H new ATOM 0 HD1 TRP A 80 4.042 -9.783 21.943 1.00 30.14 H new ATOM 0 HE1 TRP A 80 3.086 -9.092 19.645 1.00 14.32 H new ATOM 0 HE3 TRP A 80 5.161 -4.797 22.129 1.00 63.33 H new ATOM 0 HZ2 TRP A 80 2.852 -6.723 18.153 1.00 60.44 H new ATOM 0 HZ3 TRP A 80 4.537 -3.378 20.216 1.00 42.33 H new ATOM 0 HH2 TRP A 80 3.393 -4.330 18.257 1.00 13.40 H new ATOM 1335 N GLN A 81 5.854 -8.841 26.274 1.00 3.05 N ATOM 1336 CA GLN A 81 6.241 -8.743 27.686 1.00 72.32 C ATOM 1337 C GLN A 81 7.373 -9.723 28.029 1.00 10.54 C ATOM 1338 O GLN A 81 8.075 -9.549 29.023 1.00 21.23 O ATOM 1339 CB GLN A 81 5.024 -8.990 28.587 1.00 60.34 C ATOM 1340 CG GLN A 81 3.910 -7.959 28.410 1.00 40.12 C ATOM 1341 CD GLN A 81 4.334 -6.549 28.805 1.00 44.02 C ATOM 1342 OE1 GLN A 81 4.187 -6.144 29.954 1.00 71.32 O ATOM 1343 NE2 GLN A 81 4.863 -5.793 27.861 1.00 33.11 N ATOM 0 H GLN A 81 4.883 -9.120 26.132 1.00 3.05 H new ATOM 0 HA GLN A 81 6.614 -7.734 27.863 1.00 72.32 H new ATOM 0 HB2 GLN A 81 4.625 -9.983 28.379 1.00 60.34 H new ATOM 0 HB3 GLN A 81 5.347 -8.988 29.628 1.00 60.34 H new ATOM 0 HG2 GLN A 81 3.587 -7.957 27.369 1.00 40.12 H new ATOM 0 HG3 GLN A 81 3.050 -8.255 29.010 1.00 40.12 H new ATOM 0 HE21 GLN A 81 4.972 -6.159 26.915 1.00 33.11 H new ATOM 0 HE22 GLN A 81 5.163 -4.842 28.077 1.00 33.11 H new ATOM 1352 N LYS A 82 7.560 -10.732 27.179 1.00 72.05 N ATOM 1353 CA LYS A 82 8.633 -11.724 27.347 1.00 41.15 C ATOM 1354 C LYS A 82 10.021 -11.048 27.378 1.00 31.15 C ATOM 1355 O LYS A 82 11.011 -11.642 27.819 1.00 71.11 O ATOM 1356 CB LYS A 82 8.522 -12.755 26.200 1.00 5.53 C ATOM 1357 CG LYS A 82 9.692 -13.737 26.052 1.00 43.13 C ATOM 1358 CD LYS A 82 10.773 -13.215 25.099 1.00 13.14 C ATOM 1359 CE LYS A 82 11.802 -14.290 24.749 1.00 71.21 C ATOM 1360 NZ LYS A 82 12.583 -14.750 25.932 1.00 10.21 N1+ ATOM 0 H LYS A 82 6.977 -10.889 26.357 1.00 72.05 H new ATOM 0 HA LYS A 82 8.521 -12.234 28.304 1.00 41.15 H new ATOM 0 HB2 LYS A 82 7.608 -13.331 26.345 1.00 5.53 H new ATOM 0 HB3 LYS A 82 8.411 -12.212 25.262 1.00 5.53 H new ATOM 0 HG2 LYS A 82 10.133 -13.923 27.031 1.00 43.13 H new ATOM 0 HG3 LYS A 82 9.317 -14.692 25.684 1.00 43.13 H new ATOM 0 HD2 LYS A 82 10.304 -12.852 24.184 1.00 13.14 H new ATOM 0 HD3 LYS A 82 11.279 -12.365 25.557 1.00 13.14 H new ATOM 0 HE2 LYS A 82 11.291 -15.143 24.302 1.00 71.21 H new ATOM 0 HE3 LYS A 82 12.487 -13.899 23.997 1.00 71.21 H new ATOM 0 HZ1 LYS A 82 13.265 -15.478 25.636 1.00 10.21 H new ATOM 0 HZ2 LYS A 82 13.094 -13.944 26.345 1.00 10.21 H new ATOM 0 HZ3 LYS A 82 11.936 -15.150 26.641 1.00 10.21 H new ATOM 1374 N LEU A 83 10.079 -9.795 26.932 1.00 73.12 N ATOM 1375 CA LEU A 83 11.308 -8.999 27.000 1.00 14.24 C ATOM 1376 C LEU A 83 11.660 -8.612 28.453 1.00 32.14 C ATOM 1377 O LEU A 83 12.826 -8.657 28.849 1.00 21.51 O ATOM 1378 CB LEU A 83 11.139 -7.728 26.153 1.00 4.41 C ATOM 1379 CG LEU A 83 12.333 -6.756 26.156 1.00 23.51 C ATOM 1380 CD1 LEU A 83 13.563 -7.395 25.508 1.00 64.42 C ATOM 1381 CD2 LEU A 83 11.964 -5.451 25.451 1.00 14.34 C ATOM 0 H LEU A 83 9.286 -9.305 26.517 1.00 73.12 H new ATOM 0 HA LEU A 83 12.126 -9.606 26.610 1.00 14.24 H new ATOM 0 HB2 LEU A 83 10.939 -8.024 25.123 1.00 4.41 H new ATOM 0 HB3 LEU A 83 10.258 -7.193 26.507 1.00 4.41 H new ATOM 0 HG LEU A 83 12.582 -6.528 27.192 1.00 23.51 H new ATOM 0 HD11 LEU A 83 14.392 -6.687 25.523 1.00 64.42 H new ATOM 0 HD12 LEU A 83 13.842 -8.292 26.062 1.00 64.42 H new ATOM 0 HD13 LEU A 83 13.333 -7.662 24.477 1.00 64.42 H new ATOM 0 HD21 LEU A 83 12.820 -4.776 25.463 1.00 14.34 H new ATOM 0 HD22 LEU A 83 11.682 -5.662 24.419 1.00 14.34 H new ATOM 0 HD23 LEU A 83 11.126 -4.983 25.967 1.00 14.34 H new ATOM 1393 N ILE A 84 10.649 -8.237 29.245 1.00 52.34 N ATOM 1394 CA ILE A 84 10.877 -7.776 30.628 1.00 4.03 C ATOM 1395 C ILE A 84 10.456 -8.808 31.700 1.00 43.23 C ATOM 1396 O ILE A 84 10.927 -8.748 32.837 1.00 40.01 O ATOM 1397 CB ILE A 84 10.192 -6.397 30.892 1.00 73.35 C ATOM 1398 CG1 ILE A 84 8.723 -6.376 30.408 1.00 3.42 C ATOM 1399 CG2 ILE A 84 10.989 -5.271 30.224 1.00 71.30 C ATOM 1400 CD1 ILE A 84 7.738 -7.058 31.339 1.00 55.42 C ATOM 0 H ILE A 84 9.670 -8.242 28.959 1.00 52.34 H new ATOM 0 HA ILE A 84 11.956 -7.655 30.722 1.00 4.03 H new ATOM 0 HB ILE A 84 10.182 -6.239 31.970 1.00 73.35 H new ATOM 0 HG12 ILE A 84 8.415 -5.339 30.271 1.00 3.42 H new ATOM 0 HG13 ILE A 84 8.670 -6.856 29.431 1.00 3.42 H new ATOM 0 HG21 ILE A 84 10.500 -4.316 30.416 1.00 71.30 H new ATOM 0 HG22 ILE A 84 12.000 -5.250 30.631 1.00 71.30 H new ATOM 0 HG23 ILE A 84 11.034 -5.446 29.149 1.00 71.30 H new ATOM 0 HD11 ILE A 84 6.735 -6.993 30.918 1.00 55.42 H new ATOM 0 HD12 ILE A 84 8.015 -8.106 31.458 1.00 55.42 H new ATOM 0 HD13 ILE A 84 7.756 -6.566 32.311 1.00 55.42 H new ATOM 1412 N GLU A 85 9.577 -9.746 31.346 1.00 51.31 N ATOM 1413 CA GLU A 85 9.124 -10.785 32.289 1.00 22.54 C ATOM 1414 C GLU A 85 9.111 -12.171 31.620 1.00 53.31 C ATOM 1415 O GLU A 85 9.143 -12.275 30.395 1.00 21.45 O ATOM 1416 CB GLU A 85 7.726 -10.447 32.841 1.00 10.03 C ATOM 1417 CG GLU A 85 6.616 -10.455 31.796 1.00 44.10 C ATOM 1418 CD GLU A 85 5.238 -10.255 32.407 1.00 41.33 C ATOM 1419 OE1 GLU A 85 4.912 -9.113 32.793 1.00 34.14 O ATOM 1420 OE2 GLU A 85 4.475 -11.240 32.514 1.00 61.42 O1- ATOM 0 H GLU A 85 9.162 -9.813 30.417 1.00 51.31 H new ATOM 0 HA GLU A 85 9.830 -10.812 33.119 1.00 22.54 H new ATOM 0 HB2 GLU A 85 7.476 -11.162 33.624 1.00 10.03 H new ATOM 0 HB3 GLU A 85 7.762 -9.463 33.308 1.00 10.03 H new ATOM 0 HG2 GLU A 85 6.804 -9.668 31.066 1.00 44.10 H new ATOM 0 HG3 GLU A 85 6.636 -11.402 31.256 1.00 44.10 H new ATOM 1427 N PRO A 86 9.080 -13.262 32.413 1.00 32.50 N ATOM 1428 CA PRO A 86 9.065 -14.643 31.882 1.00 71.43 C ATOM 1429 C PRO A 86 7.722 -15.054 31.231 1.00 62.24 C ATOM 1430 O PRO A 86 7.300 -16.204 31.344 1.00 14.02 O ATOM 1431 CB PRO A 86 9.345 -15.511 33.129 1.00 50.45 C ATOM 1432 CG PRO A 86 9.778 -14.559 34.199 1.00 73.20 C ATOM 1433 CD PRO A 86 9.104 -13.257 33.885 1.00 62.24 C ATOM 0 HA PRO A 86 9.793 -14.757 31.079 1.00 71.43 H new ATOM 0 HB2 PRO A 86 8.453 -16.060 33.432 1.00 50.45 H new ATOM 0 HB3 PRO A 86 10.120 -16.250 32.925 1.00 50.45 H new ATOM 0 HG2 PRO A 86 9.488 -14.921 35.185 1.00 73.20 H new ATOM 0 HG3 PRO A 86 10.862 -14.446 34.207 1.00 73.20 H new ATOM 0 HD2 PRO A 86 8.101 -13.206 34.308 1.00 62.24 H new ATOM 0 HD3 PRO A 86 9.659 -12.406 34.280 1.00 62.24 H new ATOM 1441 N ALA A 87 7.084 -14.139 30.503 1.00 4.04 N ATOM 1442 CA ALA A 87 5.792 -14.418 29.855 1.00 21.12 C ATOM 1443 C ALA A 87 5.961 -15.153 28.510 1.00 1.23 C ATOM 1444 O ALA A 87 5.173 -14.962 27.582 1.00 73.04 O ATOM 1445 CB ALA A 87 5.030 -13.113 29.653 1.00 60.24 C ATOM 0 H ALA A 87 7.437 -13.195 30.344 1.00 4.04 H new ATOM 0 HA ALA A 87 5.226 -15.079 30.511 1.00 21.12 H new ATOM 0 HB1 ALA A 87 4.074 -13.321 29.173 1.00 60.24 H new ATOM 0 HB2 ALA A 87 4.856 -12.640 30.619 1.00 60.24 H new ATOM 0 HB3 ALA A 87 5.615 -12.444 29.022 1.00 60.24 H new ATOM 1451 N HIS A 88 6.957 -16.037 28.428 1.00 75.25 N ATOM 1452 CA HIS A 88 7.276 -16.726 27.169 1.00 33.23 C ATOM 1453 C HIS A 88 6.429 -17.994 26.954 1.00 70.25 C ATOM 1454 O HIS A 88 5.964 -18.246 25.841 1.00 23.43 O ATOM 1455 CB HIS A 88 8.776 -17.061 27.093 1.00 25.11 C ATOM 1456 CG HIS A 88 9.296 -17.914 28.213 1.00 61.44 C ATOM 1457 ND1 HIS A 88 9.617 -19.249 28.065 1.00 51.20 N ATOM 1458 CD2 HIS A 88 9.592 -17.604 29.495 1.00 2.51 C ATOM 1459 CE1 HIS A 88 10.081 -19.717 29.205 1.00 74.12 C ATOM 1460 NE2 HIS A 88 10.080 -18.739 30.086 1.00 4.23 N ATOM 0 H HIS A 88 7.556 -16.294 29.212 1.00 75.25 H new ATOM 0 HA HIS A 88 7.025 -16.035 26.364 1.00 33.23 H new ATOM 0 HB2 HIS A 88 8.971 -17.570 26.149 1.00 25.11 H new ATOM 0 HB3 HIS A 88 9.340 -16.128 27.075 1.00 25.11 H new ATOM 0 HD1 HIS A 88 9.511 -19.789 27.206 1.00 51.20 H new ATOM 0 HD2 HIS A 88 9.467 -16.640 29.966 1.00 2.51 H new ATOM 0 HE1 HIS A 88 10.407 -20.731 29.386 1.00 74.12 H new ATOM 1469 N GLN A 89 6.232 -18.781 28.018 1.00 62.33 N ATOM 1470 CA GLN A 89 5.473 -20.048 27.955 1.00 11.10 C ATOM 1471 C GLN A 89 5.934 -20.965 26.802 1.00 3.43 C ATOM 1472 O GLN A 89 6.715 -21.892 27.010 1.00 52.13 O ATOM 1473 CB GLN A 89 3.955 -19.788 27.850 1.00 74.02 C ATOM 1474 CG GLN A 89 3.324 -19.174 29.102 1.00 71.21 C ATOM 1475 CD GLN A 89 3.750 -17.737 29.349 1.00 1.31 C ATOM 1476 OE1 GLN A 89 4.747 -17.479 30.013 1.00 51.42 O ATOM 1477 NE2 GLN A 89 2.998 -16.791 28.817 1.00 14.21 N ATOM 0 H GLN A 89 6.591 -18.564 28.948 1.00 62.33 H new ATOM 0 HA GLN A 89 5.680 -20.570 28.889 1.00 11.10 H new ATOM 0 HB2 GLN A 89 3.771 -19.125 27.004 1.00 74.02 H new ATOM 0 HB3 GLN A 89 3.453 -20.730 27.631 1.00 74.02 H new ATOM 0 HG2 GLN A 89 2.239 -19.213 29.009 1.00 71.21 H new ATOM 0 HG3 GLN A 89 3.592 -19.779 29.969 1.00 71.21 H new ATOM 0 HE21 GLN A 89 2.175 -17.042 28.270 1.00 14.21 H new ATOM 0 HE22 GLN A 89 3.241 -15.810 28.953 1.00 14.21 H new ATOM 1486 N HIS A 90 5.453 -20.692 25.586 1.00 33.31 N ATOM 1487 CA HIS A 90 5.754 -21.536 24.416 1.00 25.32 C ATOM 1488 C HIS A 90 7.084 -21.150 23.743 1.00 75.05 C ATOM 1489 O HIS A 90 7.587 -21.880 22.888 1.00 73.10 O ATOM 1490 CB HIS A 90 4.609 -21.460 23.394 1.00 22.23 C ATOM 1491 CG HIS A 90 4.392 -20.095 22.811 1.00 65.34 C ATOM 1492 ND1 HIS A 90 4.783 -19.748 21.538 1.00 31.23 N ATOM 1493 CD2 HIS A 90 3.806 -18.989 23.330 1.00 75.24 C ATOM 1494 CE1 HIS A 90 4.445 -18.499 21.298 1.00 24.14 C ATOM 1495 NE2 HIS A 90 3.848 -18.012 22.367 1.00 62.23 N ATOM 0 H HIS A 90 4.853 -19.893 25.381 1.00 33.31 H new ATOM 0 HA HIS A 90 5.854 -22.559 24.777 1.00 25.32 H new ATOM 0 HB2 HIS A 90 4.814 -22.160 22.584 1.00 22.23 H new ATOM 0 HB3 HIS A 90 3.687 -21.788 23.874 1.00 22.23 H new ATOM 0 HD2 HIS A 90 3.384 -18.894 24.319 1.00 75.24 H new ATOM 0 HE1 HIS A 90 4.627 -17.963 20.378 1.00 24.14 H new ATOM 0 HE2 HIS A 90 3.478 -17.066 22.463 1.00 62.23 H new ATOM 1504 N GLU A 91 7.633 -19.993 24.101 1.00 43.15 N ATOM 1505 CA GLU A 91 8.936 -19.568 23.576 1.00 44.42 C ATOM 1506 C GLU A 91 10.078 -20.234 24.355 1.00 2.54 C ATOM 1507 O GLU A 91 10.315 -19.912 25.522 1.00 55.44 O ATOM 1508 CB GLU A 91 9.070 -18.038 23.637 1.00 63.12 C ATOM 1509 CG GLU A 91 8.054 -17.288 22.780 1.00 3.03 C ATOM 1510 CD GLU A 91 8.205 -17.586 21.294 1.00 54.24 C ATOM 1511 OE1 GLU A 91 7.552 -18.529 20.802 1.00 2.42 O ATOM 1512 OE2 GLU A 91 8.982 -16.880 20.615 1.00 63.20 O1- ATOM 0 H GLU A 91 7.202 -19.333 24.749 1.00 43.15 H new ATOM 0 HA GLU A 91 9.001 -19.881 22.534 1.00 44.42 H new ATOM 0 HB2 GLU A 91 8.963 -17.716 24.673 1.00 63.12 H new ATOM 0 HB3 GLU A 91 10.074 -17.759 23.318 1.00 63.12 H new ATOM 0 HG2 GLU A 91 7.047 -17.556 23.100 1.00 3.03 H new ATOM 0 HG3 GLU A 91 8.166 -16.216 22.945 1.00 3.03 H new ATOM 1519 N ALA A 92 10.765 -21.175 23.711 1.00 53.22 N ATOM 1520 CA ALA A 92 11.863 -21.920 24.345 1.00 5.51 C ATOM 1521 C ALA A 92 13.226 -21.575 23.714 1.00 71.42 C ATOM 1522 O ALA A 92 14.017 -20.844 24.351 1.00 36.88 O ATOM 1523 CB ALA A 92 11.589 -23.420 24.260 1.00 34.13 C ATOM 1524 OXT ALA A 92 13.495 -22.021 22.575 1.00 36.88 O ATOM 0 H ALA A 92 10.583 -21.445 22.744 1.00 53.22 H new ATOM 0 HA ALA A 92 11.912 -21.626 25.393 1.00 5.51 H new ATOM 0 HB1 ALA A 92 12.406 -23.966 24.731 1.00 34.13 H new ATOM 0 HB2 ALA A 92 10.655 -23.649 24.774 1.00 34.13 H new ATOM 0 HB3 ALA A 92 11.510 -23.717 23.214 1.00 34.13 H new TER 1530 ALA A 92