USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 HIS : no HD1:sc= 0.147 K(o=2.6,f=-11!) USER MOD Set 1.3: A 65 ASN : amide:sc= 1.27 K(o=2.6,f=-10!) USER MOD Set 1.4: A 70 THR OG1 : rot 88:sc= 1.16 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 33:sc= 0.151 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 27 SER OG : rot 31:sc= 0.0156 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.194 F(o=-1.2,f=-0.19) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 73 ASN : amide:sc= 1.19 K(o=1.2,f=-10!) USER MOD Single : A 74 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.8) USER MOD Single : A 78 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.49) USER MOD Single : A 81 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.5!) USER MOD Single : A 92 HIS : no HE2:sc= 0.945 K(o=0.94,f=-3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -155:sc= -0.0282 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.976 -8.802 2.115 1.00 45.13 N ATOM 63 CA THR A 7 -3.707 -7.629 2.908 1.00 71.01 C ATOM 64 C THR A 7 -4.084 -6.396 2.107 1.00 30.35 C ATOM 65 O THR A 7 -3.511 -6.133 1.054 1.00 12.42 O ATOM 66 CB THR A 7 -2.198 -7.564 3.242 1.00 15.34 C ATOM 67 OG1 THR A 7 -1.778 -8.801 3.859 1.00 63.25 O ATOM 68 CG2 THR A 7 -1.875 -6.392 4.166 1.00 62.03 C ATOM 0 HA THR A 7 -4.286 -7.672 3.831 1.00 71.01 H new ATOM 0 HB THR A 7 -1.656 -7.414 2.308 1.00 15.34 H new ATOM 0 HG1 THR A 7 -2.301 -9.544 3.491 1.00 63.25 H new ATOM 0 HG21 THR A 7 -0.806 -6.380 4.378 1.00 62.03 H new ATOM 0 HG22 THR A 7 -2.160 -5.458 3.682 1.00 62.03 H new ATOM 0 HG23 THR A 7 -2.428 -6.501 5.099 1.00 62.03 H new ATOM 76 N SER A 8 -5.056 -5.677 2.570 1.00 11.53 N ATOM 77 CA SER A 8 -5.459 -4.504 1.883 1.00 1.14 C ATOM 78 C SER A 8 -4.953 -3.301 2.641 1.00 14.01 C ATOM 79 O SER A 8 -5.334 -3.079 3.780 1.00 65.11 O ATOM 80 CB SER A 8 -6.971 -4.493 1.771 1.00 63.04 C ATOM 81 OG SER A 8 -7.431 -5.733 1.232 1.00 74.10 O ATOM 0 H SER A 8 -5.581 -5.885 3.419 1.00 11.53 H new ATOM 0 HA SER A 8 -5.042 -4.479 0.876 1.00 1.14 H new ATOM 0 HB2 SER A 8 -7.415 -4.327 2.752 1.00 63.04 H new ATOM 0 HB3 SER A 8 -7.290 -3.669 1.133 1.00 63.04 H new ATOM 0 HG SER A 8 -8.409 -5.718 1.165 1.00 74.10 H new ATOM 87 N VAL A 9 -4.072 -2.563 2.041 1.00 24.13 N ATOM 88 CA VAL A 9 -3.530 -1.393 2.670 1.00 62.44 C ATOM 89 C VAL A 9 -4.239 -0.196 2.100 1.00 23.51 C ATOM 90 O VAL A 9 -4.136 0.096 0.908 1.00 62.02 O ATOM 91 CB VAL A 9 -2.011 -1.251 2.436 1.00 42.21 C ATOM 92 CG1 VAL A 9 -1.447 -0.106 3.264 1.00 23.15 C ATOM 93 CG2 VAL A 9 -1.289 -2.546 2.751 1.00 45.42 C ATOM 0 H VAL A 9 -3.708 -2.750 1.107 1.00 24.13 H new ATOM 0 HA VAL A 9 -3.680 -1.474 3.747 1.00 62.44 H new ATOM 0 HB VAL A 9 -1.851 -1.025 1.382 1.00 42.21 H new ATOM 0 HG11 VAL A 9 -0.375 -0.022 3.086 1.00 23.15 H new ATOM 0 HG12 VAL A 9 -1.937 0.825 2.979 1.00 23.15 H new ATOM 0 HG13 VAL A 9 -1.625 -0.300 4.322 1.00 23.15 H new ATOM 0 HG21 VAL A 9 -0.220 -2.418 2.578 1.00 45.42 H new ATOM 0 HG22 VAL A 9 -1.458 -2.812 3.794 1.00 45.42 H new ATOM 0 HG23 VAL A 9 -1.669 -3.340 2.108 1.00 45.42 H new ATOM 103 N THR A 10 -4.977 0.455 2.918 1.00 22.35 N ATOM 104 CA THR A 10 -5.746 1.567 2.517 1.00 61.10 C ATOM 105 C THR A 10 -5.267 2.789 3.262 1.00 71.14 C ATOM 106 O THR A 10 -5.287 2.834 4.496 1.00 3.03 O ATOM 107 CB THR A 10 -7.229 1.293 2.798 1.00 4.41 C ATOM 108 OG1 THR A 10 -7.558 0.019 2.212 1.00 75.40 O ATOM 109 CG2 THR A 10 -8.107 2.372 2.177 1.00 53.40 C ATOM 0 H THR A 10 -5.064 0.223 3.907 1.00 22.35 H new ATOM 0 HA THR A 10 -5.630 1.742 1.447 1.00 61.10 H new ATOM 0 HB THR A 10 -7.404 1.290 3.874 1.00 4.41 H new ATOM 0 HG1 THR A 10 -8.502 -0.183 2.378 1.00 75.40 H new ATOM 0 HG21 THR A 10 -9.154 2.156 2.390 1.00 53.40 H new ATOM 0 HG22 THR A 10 -7.844 3.342 2.598 1.00 53.40 H new ATOM 0 HG23 THR A 10 -7.952 2.391 1.098 1.00 53.40 H new ATOM 117 N LEU A 11 -4.776 3.737 2.527 1.00 65.21 N ATOM 118 CA LEU A 11 -4.315 4.942 3.105 1.00 50.31 C ATOM 119 C LEU A 11 -5.481 5.899 3.212 1.00 43.22 C ATOM 120 O LEU A 11 -6.320 5.957 2.308 1.00 42.13 O ATOM 121 CB LEU A 11 -3.106 5.519 2.304 1.00 34.41 C ATOM 122 CG LEU A 11 -3.291 5.988 0.837 1.00 32.33 C ATOM 123 CD1 LEU A 11 -3.951 7.369 0.748 1.00 12.01 C ATOM 124 CD2 LEU A 11 -1.954 6.000 0.117 1.00 5.44 C ATOM 0 H LEU A 11 -4.687 3.690 1.512 1.00 65.21 H new ATOM 0 HA LEU A 11 -3.934 4.765 4.111 1.00 50.31 H new ATOM 0 HB2 LEU A 11 -2.721 6.369 2.868 1.00 34.41 H new ATOM 0 HB3 LEU A 11 -2.326 4.757 2.303 1.00 34.41 H new ATOM 0 HG LEU A 11 -3.959 5.276 0.352 1.00 32.33 H new ATOM 0 HD11 LEU A 11 -4.059 7.654 -0.299 1.00 12.01 H new ATOM 0 HD12 LEU A 11 -4.934 7.333 1.218 1.00 12.01 H new ATOM 0 HD13 LEU A 11 -3.330 8.103 1.261 1.00 12.01 H new ATOM 0 HD21 LEU A 11 -2.098 6.331 -0.912 1.00 5.44 H new ATOM 0 HD22 LEU A 11 -1.273 6.682 0.626 1.00 5.44 H new ATOM 0 HD23 LEU A 11 -1.531 4.996 0.119 1.00 5.44 H new ATOM 136 N GLN A 12 -5.584 6.570 4.311 1.00 31.35 N ATOM 137 CA GLN A 12 -6.640 7.523 4.504 1.00 50.54 C ATOM 138 C GLN A 12 -6.060 8.906 4.463 1.00 11.43 C ATOM 139 O GLN A 12 -5.143 9.223 5.218 1.00 60.15 O ATOM 140 CB GLN A 12 -7.372 7.276 5.811 1.00 24.22 C ATOM 141 CG GLN A 12 -8.549 8.204 6.019 1.00 14.22 C ATOM 142 CD GLN A 12 -9.349 7.861 7.239 1.00 14.01 C ATOM 143 OE1 GLN A 12 -8.827 7.348 8.225 1.00 14.13 O ATOM 144 NE2 GLN A 12 -10.613 8.117 7.178 1.00 2.42 N ATOM 0 H GLN A 12 -4.945 6.478 5.101 1.00 31.35 H new ATOM 0 HA GLN A 12 -7.372 7.414 3.704 1.00 50.54 H new ATOM 0 HB2 GLN A 12 -7.722 6.244 5.834 1.00 24.22 H new ATOM 0 HB3 GLN A 12 -6.673 7.394 6.639 1.00 24.22 H new ATOM 0 HG2 GLN A 12 -8.188 9.229 6.103 1.00 14.22 H new ATOM 0 HG3 GLN A 12 -9.196 8.165 5.143 1.00 14.22 H new ATOM 0 HE21 GLN A 12 -11.007 8.544 6.340 1.00 2.42 H new ATOM 0 HE22 GLN A 12 -11.218 7.892 7.968 1.00 2.42 H new ATOM 153 N LEU A 13 -6.603 9.719 3.620 1.00 73.31 N ATOM 154 CA LEU A 13 -6.064 11.004 3.359 1.00 0.31 C ATOM 155 C LEU A 13 -7.146 12.059 3.381 1.00 34.45 C ATOM 156 O LEU A 13 -8.069 12.057 2.553 1.00 75.32 O ATOM 157 CB LEU A 13 -5.373 11.003 1.995 1.00 20.25 C ATOM 158 CG LEU A 13 -4.874 12.355 1.501 1.00 4.44 C ATOM 159 CD1 LEU A 13 -3.736 12.888 2.360 1.00 22.03 C ATOM 160 CD2 LEU A 13 -4.481 12.286 0.046 1.00 52.24 C ATOM 0 H LEU A 13 -7.446 9.503 3.087 1.00 73.31 H new ATOM 0 HA LEU A 13 -5.340 11.239 4.139 1.00 0.31 H new ATOM 0 HB2 LEU A 13 -4.526 10.319 2.039 1.00 20.25 H new ATOM 0 HB3 LEU A 13 -6.068 10.602 1.257 1.00 20.25 H new ATOM 0 HG LEU A 13 -5.699 13.062 1.593 1.00 4.44 H new ATOM 0 HD11 LEU A 13 -3.410 13.854 1.973 1.00 22.03 H new ATOM 0 HD12 LEU A 13 -4.080 13.006 3.387 1.00 22.03 H new ATOM 0 HD13 LEU A 13 -2.902 12.187 2.335 1.00 22.03 H new ATOM 0 HD21 LEU A 13 -4.128 13.264 -0.282 1.00 52.24 H new ATOM 0 HD22 LEU A 13 -3.686 11.552 -0.082 1.00 52.24 H new ATOM 0 HD23 LEU A 13 -5.345 11.993 -0.551 1.00 52.24 H new ATOM 172 N ASP A 14 -7.058 12.931 4.317 1.00 61.20 N ATOM 173 CA ASP A 14 -7.945 14.039 4.372 1.00 20.32 C ATOM 174 C ASP A 14 -7.256 15.247 3.814 1.00 60.10 C ATOM 175 O ASP A 14 -6.400 15.835 4.446 1.00 25.43 O ATOM 176 CB ASP A 14 -8.451 14.317 5.778 1.00 64.43 C ATOM 177 CG ASP A 14 -9.338 15.542 5.810 1.00 53.23 C ATOM 178 OD1 ASP A 14 -10.028 15.809 4.806 1.00 31.24 O ATOM 179 OD2 ASP A 14 -9.377 16.245 6.844 1.00 11.33 O ATOM 0 H ASP A 14 -6.369 12.899 5.069 1.00 61.20 H new ATOM 0 HA ASP A 14 -8.822 13.795 3.772 1.00 20.32 H new ATOM 0 HB2 ASP A 14 -9.006 13.454 6.144 1.00 64.43 H new ATOM 0 HB3 ASP A 14 -7.605 14.460 6.450 1.00 64.43 H new ATOM 184 N ASP A 15 -7.593 15.568 2.607 1.00 44.02 N ATOM 185 CA ASP A 15 -7.031 16.728 1.930 1.00 11.12 C ATOM 186 C ASP A 15 -8.002 17.912 2.079 1.00 73.01 C ATOM 187 O ASP A 15 -7.844 18.978 1.483 1.00 44.12 O ATOM 188 CB ASP A 15 -6.800 16.366 0.446 1.00 54.32 C ATOM 189 CG ASP A 15 -6.121 17.455 -0.365 1.00 74.41 C ATOM 190 OD1 ASP A 15 -4.933 17.746 -0.117 1.00 42.32 O ATOM 191 OD2 ASP A 15 -6.767 18.033 -1.259 1.00 12.21 O ATOM 0 H ASP A 15 -8.265 15.043 2.048 1.00 44.02 H new ATOM 0 HA ASP A 15 -6.076 17.016 2.369 1.00 11.12 H new ATOM 0 HB2 ASP A 15 -6.195 15.461 0.395 1.00 54.32 H new ATOM 0 HB3 ASP A 15 -7.761 16.133 -0.013 1.00 54.32 H new ATOM 196 N GLY A 16 -8.982 17.721 2.937 1.00 42.14 N ATOM 197 CA GLY A 16 -10.015 18.698 3.126 1.00 55.32 C ATOM 198 C GLY A 16 -11.329 18.151 2.652 1.00 21.34 C ATOM 199 O GLY A 16 -12.135 18.864 2.049 1.00 61.52 O ATOM 0 H GLY A 16 -9.078 16.887 3.516 1.00 42.14 H new ATOM 0 HA2 GLY A 16 -10.083 18.969 4.180 1.00 55.32 H new ATOM 0 HA3 GLY A 16 -9.771 19.608 2.578 1.00 55.32 H new ATOM 203 N SER A 17 -11.550 16.876 2.930 1.00 3.32 N ATOM 204 CA SER A 17 -12.727 16.177 2.503 1.00 44.40 C ATOM 205 C SER A 17 -12.768 14.809 3.185 1.00 33.42 C ATOM 206 O SER A 17 -13.673 14.518 3.980 1.00 43.51 O ATOM 207 CB SER A 17 -12.726 16.021 0.961 1.00 30.31 C ATOM 208 OG SER A 17 -13.905 15.396 0.490 1.00 10.14 O ATOM 0 H SER A 17 -10.901 16.300 3.466 1.00 3.32 H new ATOM 0 HA SER A 17 -13.615 16.744 2.784 1.00 44.40 H new ATOM 0 HB2 SER A 17 -12.626 17.002 0.498 1.00 30.31 H new ATOM 0 HB3 SER A 17 -11.859 15.435 0.657 1.00 30.31 H new ATOM 0 HG SER A 17 -13.866 15.318 -0.486 1.00 10.14 H new ATOM 214 N GLY A 18 -11.769 13.993 2.908 1.00 21.43 N ATOM 215 CA GLY A 18 -11.720 12.669 3.465 1.00 70.32 C ATOM 216 C GLY A 18 -11.757 11.623 2.378 1.00 61.21 C ATOM 217 O GLY A 18 -12.824 11.229 1.902 1.00 42.43 O ATOM 0 H GLY A 18 -10.985 14.230 2.301 1.00 21.43 H new ATOM 0 HA2 GLY A 18 -10.811 12.553 4.056 1.00 70.32 H new ATOM 0 HA3 GLY A 18 -12.561 12.524 4.143 1.00 70.32 H new ATOM 221 N ARG A 19 -10.612 11.206 1.943 1.00 61.04 N ATOM 222 CA ARG A 19 -10.508 10.195 0.905 1.00 31.22 C ATOM 223 C ARG A 19 -9.685 9.022 1.378 1.00 54.54 C ATOM 224 O ARG A 19 -9.001 9.108 2.396 1.00 42.34 O ATOM 225 CB ARG A 19 -9.874 10.774 -0.347 1.00 31.22 C ATOM 226 CG ARG A 19 -10.704 11.817 -1.096 1.00 0.40 C ATOM 227 CD ARG A 19 -11.901 11.204 -1.830 1.00 54.14 C ATOM 228 NE ARG A 19 -12.919 10.627 -0.932 1.00 54.11 N ATOM 229 CZ ARG A 19 -13.850 9.736 -1.314 1.00 35.40 C ATOM 230 NH1 ARG A 19 -13.891 9.301 -2.582 1.00 33.24 N ATOM 231 NH2 ARG A 19 -14.743 9.290 -0.435 1.00 61.11 N ATOM 0 H ARG A 19 -9.715 11.548 2.288 1.00 61.04 H new ATOM 0 HA ARG A 19 -11.518 9.855 0.675 1.00 31.22 H new ATOM 0 HB2 ARG A 19 -8.921 11.226 -0.072 1.00 31.22 H new ATOM 0 HB3 ARG A 19 -9.653 9.955 -1.031 1.00 31.22 H new ATOM 0 HG2 ARG A 19 -11.061 12.567 -0.390 1.00 0.40 H new ATOM 0 HG3 ARG A 19 -10.068 12.334 -1.815 1.00 0.40 H new ATOM 0 HD2 ARG A 19 -12.368 11.971 -2.448 1.00 54.14 H new ATOM 0 HD3 ARG A 19 -11.542 10.426 -2.504 1.00 54.14 H new ATOM 0 HE ARG A 19 -12.916 10.924 0.044 1.00 54.11 H new ATOM 0 HH11 ARG A 19 -13.214 9.646 -3.262 1.00 33.24 H new ATOM 0 HH12 ARG A 19 -14.600 8.625 -2.867 1.00 33.24 H new ATOM 0 HH21 ARG A 19 -14.721 9.624 0.528 1.00 61.11 H new ATOM 0 HH22 ARG A 19 -15.450 8.614 -0.724 1.00 61.11 H new ATOM 245 N THR A 20 -9.760 7.934 0.655 1.00 25.10 N ATOM 246 CA THR A 20 -8.982 6.756 0.938 1.00 13.44 C ATOM 247 C THR A 20 -8.422 6.207 -0.369 1.00 20.32 C ATOM 248 O THR A 20 -9.026 6.397 -1.433 1.00 25.44 O ATOM 249 CB THR A 20 -9.832 5.667 1.658 1.00 31.32 C ATOM 250 OG1 THR A 20 -11.042 5.393 0.918 1.00 14.04 O ATOM 251 CG2 THR A 20 -10.187 6.094 3.073 1.00 13.40 C ATOM 0 H THR A 20 -10.371 7.841 -0.157 1.00 25.10 H new ATOM 0 HA THR A 20 -8.168 7.029 1.609 1.00 13.44 H new ATOM 0 HB THR A 20 -9.229 4.760 1.708 1.00 31.32 H new ATOM 0 HG1 THR A 20 -11.562 4.706 1.384 1.00 14.04 H new ATOM 0 HG21 THR A 20 -10.780 5.314 3.550 1.00 13.40 H new ATOM 0 HG22 THR A 20 -9.273 6.256 3.644 1.00 13.40 H new ATOM 0 HG23 THR A 20 -10.763 7.019 3.040 1.00 13.40 H new ATOM 259 N TYR A 21 -7.272 5.590 -0.311 1.00 35.02 N ATOM 260 CA TYR A 21 -6.661 4.998 -1.487 1.00 10.42 C ATOM 261 C TYR A 21 -6.034 3.682 -1.101 1.00 64.35 C ATOM 262 O TYR A 21 -5.183 3.625 -0.208 1.00 3.00 O ATOM 263 CB TYR A 21 -5.607 5.957 -2.082 1.00 63.31 C ATOM 264 CG TYR A 21 -4.905 5.496 -3.362 1.00 21.53 C ATOM 265 CD1 TYR A 21 -5.544 5.572 -4.588 1.00 5.23 C ATOM 266 CD2 TYR A 21 -3.587 5.033 -3.340 1.00 12.14 C ATOM 267 CE1 TYR A 21 -4.902 5.196 -5.761 1.00 14.33 C ATOM 268 CE2 TYR A 21 -2.933 4.664 -4.512 1.00 11.24 C ATOM 269 CZ TYR A 21 -3.599 4.749 -5.721 1.00 14.01 C ATOM 270 OH TYR A 21 -2.955 4.402 -6.906 1.00 21.45 O ATOM 0 H TYR A 21 -6.729 5.480 0.545 1.00 35.02 H new ATOM 0 HA TYR A 21 -7.420 4.823 -2.250 1.00 10.42 H new ATOM 0 HB2 TYR A 21 -6.091 6.912 -2.284 1.00 63.31 H new ATOM 0 HB3 TYR A 21 -4.846 6.140 -1.323 1.00 63.31 H new ATOM 0 HD1 TYR A 21 -6.562 5.931 -4.633 1.00 5.23 H new ATOM 0 HD2 TYR A 21 -3.066 4.960 -2.397 1.00 12.14 H new ATOM 0 HE1 TYR A 21 -5.424 5.254 -6.705 1.00 14.33 H new ATOM 0 HE2 TYR A 21 -1.912 4.314 -4.477 1.00 11.24 H new ATOM 0 HH TYR A 21 -2.041 4.108 -6.708 1.00 21.45 H new ATOM 280 N GLN A 22 -6.490 2.632 -1.711 1.00 1.52 N ATOM 281 CA GLN A 22 -5.936 1.332 -1.467 1.00 0.12 C ATOM 282 C GLN A 22 -4.733 1.160 -2.364 1.00 65.32 C ATOM 283 O GLN A 22 -4.783 1.525 -3.552 1.00 60.45 O ATOM 284 CB GLN A 22 -6.981 0.236 -1.706 1.00 74.43 C ATOM 285 CG GLN A 22 -6.495 -1.172 -1.392 1.00 10.51 C ATOM 286 CD GLN A 22 -7.574 -2.219 -1.566 1.00 33.22 C ATOM 287 OE1 GLN A 22 -8.758 -1.948 -1.378 1.00 12.13 O ATOM 288 NE2 GLN A 22 -7.191 -3.397 -1.958 1.00 53.25 N ATOM 0 H GLN A 22 -7.252 2.649 -2.389 1.00 1.52 H new ATOM 0 HA GLN A 22 -5.628 1.244 -0.425 1.00 0.12 H new ATOM 0 HB2 GLN A 22 -7.859 0.449 -1.097 1.00 74.43 H new ATOM 0 HB3 GLN A 22 -7.299 0.274 -2.748 1.00 74.43 H new ATOM 0 HG2 GLN A 22 -5.653 -1.414 -2.041 1.00 10.51 H new ATOM 0 HG3 GLN A 22 -6.127 -1.204 -0.367 1.00 10.51 H new ATOM 0 HE21 GLN A 22 -6.200 -3.588 -2.105 1.00 53.25 H new ATOM 0 HE22 GLN A 22 -7.881 -4.130 -2.119 1.00 53.25 H new ATOM 297 N LEU A 23 -3.659 0.669 -1.801 1.00 25.12 N ATOM 298 CA LEU A 23 -2.425 0.487 -2.525 1.00 41.42 C ATOM 299 C LEU A 23 -2.559 -0.606 -3.552 1.00 53.22 C ATOM 300 O LEU A 23 -3.064 -1.696 -3.261 1.00 21.44 O ATOM 301 CB LEU A 23 -1.269 0.161 -1.580 1.00 64.45 C ATOM 302 CG LEU A 23 -0.926 1.211 -0.524 1.00 1.31 C ATOM 303 CD1 LEU A 23 0.264 0.752 0.291 1.00 54.14 C ATOM 304 CD2 LEU A 23 -0.641 2.558 -1.166 1.00 61.45 C ATOM 0 H LEU A 23 -3.615 0.383 -0.823 1.00 25.12 H new ATOM 0 HA LEU A 23 -2.207 1.427 -3.032 1.00 41.42 H new ATOM 0 HB2 LEU A 23 -1.502 -0.773 -1.068 1.00 64.45 H new ATOM 0 HB3 LEU A 23 -0.378 -0.019 -2.182 1.00 64.45 H new ATOM 0 HG LEU A 23 -1.785 1.330 0.136 1.00 1.31 H new ATOM 0 HD11 LEU A 23 0.503 1.505 1.042 1.00 54.14 H new ATOM 0 HD12 LEU A 23 0.025 -0.190 0.785 1.00 54.14 H new ATOM 0 HD13 LEU A 23 1.122 0.610 -0.366 1.00 54.14 H new ATOM 0 HD21 LEU A 23 -0.400 3.286 -0.392 1.00 61.45 H new ATOM 0 HD22 LEU A 23 0.202 2.464 -1.851 1.00 61.45 H new ATOM 0 HD23 LEU A 23 -1.520 2.892 -1.717 1.00 61.45 H new ATOM 316 N ARG A 24 -2.139 -0.305 -4.742 1.00 40.32 N ATOM 317 CA ARG A 24 -2.144 -1.250 -5.823 1.00 4.24 C ATOM 318 C ARG A 24 -0.817 -1.967 -5.801 1.00 64.01 C ATOM 319 O ARG A 24 0.186 -1.380 -5.363 1.00 52.45 O ATOM 320 CB ARG A 24 -2.294 -0.518 -7.149 1.00 42.40 C ATOM 321 CG ARG A 24 -3.557 0.323 -7.275 1.00 3.31 C ATOM 322 CD ARG A 24 -4.802 -0.537 -7.328 1.00 13.02 C ATOM 323 NE ARG A 24 -4.852 -1.379 -8.536 1.00 71.30 N ATOM 324 CZ ARG A 24 -5.897 -2.134 -8.893 1.00 63.12 C ATOM 325 NH1 ARG A 24 -6.984 -2.158 -8.138 1.00 61.14 N ATOM 326 NH2 ARG A 24 -5.855 -2.858 -10.006 1.00 51.12 N ATOM 0 H ARG A 24 -1.778 0.615 -4.996 1.00 40.32 H new ATOM 0 HA ARG A 24 -2.972 -1.950 -5.714 1.00 4.24 H new ATOM 0 HB2 ARG A 24 -1.428 0.129 -7.291 1.00 42.40 H new ATOM 0 HB3 ARG A 24 -2.280 -1.251 -7.956 1.00 42.40 H new ATOM 0 HG2 ARG A 24 -3.624 1.008 -6.429 1.00 3.31 H new ATOM 0 HG3 ARG A 24 -3.499 0.934 -8.176 1.00 3.31 H new ATOM 0 HD2 ARG A 24 -4.839 -1.173 -6.443 1.00 13.02 H new ATOM 0 HD3 ARG A 24 -5.684 0.103 -7.298 1.00 13.02 H new ATOM 0 HE ARG A 24 -4.032 -1.387 -9.143 1.00 71.30 H new ATOM 0 HH11 ARG A 24 -7.025 -1.601 -7.284 1.00 61.14 H new ATOM 0 HH12 ARG A 24 -7.781 -2.733 -8.410 1.00 61.14 H new ATOM 0 HH21 ARG A 24 -5.022 -2.841 -10.595 1.00 51.12 H new ATOM 0 HH22 ARG A 24 -6.656 -3.431 -10.272 1.00 51.12 H new ATOM 340 N GLU A 25 -0.791 -3.206 -6.242 1.00 51.43 N ATOM 341 CA GLU A 25 0.453 -3.958 -6.239 1.00 22.45 C ATOM 342 C GLU A 25 1.411 -3.447 -7.304 1.00 44.44 C ATOM 343 O GLU A 25 1.107 -3.434 -8.512 1.00 12.33 O ATOM 344 CB GLU A 25 0.249 -5.486 -6.275 1.00 45.21 C ATOM 345 CG GLU A 25 -0.619 -6.011 -7.398 1.00 33.40 C ATOM 346 CD GLU A 25 -0.755 -7.508 -7.344 1.00 20.43 C ATOM 347 OE1 GLU A 25 -1.337 -8.028 -6.379 1.00 41.42 O ATOM 348 OE2 GLU A 25 -0.291 -8.201 -8.268 1.00 24.20 O ATOM 0 H GLU A 25 -1.601 -3.711 -6.602 1.00 51.43 H new ATOM 0 HA GLU A 25 0.929 -3.775 -5.275 1.00 22.45 H new ATOM 0 HB2 GLU A 25 1.227 -5.962 -6.345 1.00 45.21 H new ATOM 0 HB3 GLU A 25 -0.190 -5.797 -5.327 1.00 45.21 H new ATOM 0 HG2 GLU A 25 -1.607 -5.554 -7.339 1.00 33.40 H new ATOM 0 HG3 GLU A 25 -0.190 -5.719 -8.356 1.00 33.40 H new ATOM 355 N GLY A 26 2.522 -2.985 -6.833 1.00 73.54 N ATOM 356 CA GLY A 26 3.514 -2.351 -7.638 1.00 33.13 C ATOM 357 C GLY A 26 3.971 -1.128 -6.899 1.00 61.44 C ATOM 358 O GLY A 26 3.650 -0.980 -5.710 1.00 33.55 O ATOM 0 H GLY A 26 2.773 -3.040 -5.846 1.00 73.54 H new ATOM 0 HA2 GLY A 26 4.351 -3.026 -7.820 1.00 33.13 H new ATOM 0 HA3 GLY A 26 3.105 -2.082 -8.612 1.00 33.13 H new ATOM 362 N SER A 27 4.703 -0.266 -7.517 1.00 24.21 N ATOM 363 CA SER A 27 5.092 0.919 -6.828 1.00 24.41 C ATOM 364 C SER A 27 4.325 2.114 -7.346 1.00 3.03 C ATOM 365 O SER A 27 4.254 2.336 -8.555 1.00 23.30 O ATOM 366 CB SER A 27 6.594 1.129 -6.880 1.00 31.21 C ATOM 367 OG SER A 27 7.071 1.176 -8.223 1.00 71.41 O ATOM 0 H SER A 27 5.039 -0.353 -8.476 1.00 24.21 H new ATOM 0 HA SER A 27 4.836 0.800 -5.775 1.00 24.41 H new ATOM 0 HB2 SER A 27 6.850 2.057 -6.370 1.00 31.21 H new ATOM 0 HB3 SER A 27 7.094 0.322 -6.344 1.00 31.21 H new ATOM 0 HG SER A 27 6.375 1.548 -8.804 1.00 71.41 H new ATOM 373 N ASN A 28 3.755 2.861 -6.451 1.00 23.31 N ATOM 374 CA ASN A 28 2.975 4.018 -6.817 1.00 51.32 C ATOM 375 C ASN A 28 3.696 5.272 -6.403 1.00 65.11 C ATOM 376 O ASN A 28 4.175 5.378 -5.279 1.00 64.44 O ATOM 377 CB ASN A 28 1.541 3.964 -6.228 1.00 11.21 C ATOM 378 CG ASN A 28 1.482 3.835 -4.707 1.00 31.31 C ATOM 379 OD1 ASN A 28 1.436 2.614 -4.216 1.00 54.11 O flip ATOM 380 ND2 ASN A 28 1.459 4.819 -3.989 1.00 25.00 N flip ATOM 0 H ASN A 28 3.813 2.692 -5.447 1.00 23.31 H new ATOM 0 HA ASN A 28 2.861 4.022 -7.901 1.00 51.32 H new ATOM 0 HB2 ASN A 28 1.007 4.867 -6.524 1.00 11.21 H new ATOM 0 HB3 ASN A 28 1.012 3.121 -6.672 1.00 11.21 H new ATOM 0 HD21 ASN A 28 1.496 5.752 -4.401 1.00 25.00 H new ATOM 0 HD22 ASN A 28 1.403 4.710 -2.976 1.00 25.00 H new ATOM 387 N ILE A 29 3.832 6.186 -7.328 1.00 25.44 N ATOM 388 CA ILE A 29 4.507 7.435 -7.069 1.00 33.30 C ATOM 389 C ILE A 29 3.478 8.517 -6.798 1.00 22.25 C ATOM 390 O ILE A 29 2.557 8.735 -7.603 1.00 34.11 O ATOM 391 CB ILE A 29 5.412 7.863 -8.262 1.00 4.21 C ATOM 392 CG1 ILE A 29 6.456 6.770 -8.564 1.00 72.44 C ATOM 393 CG2 ILE A 29 6.105 9.193 -7.959 1.00 3.40 C ATOM 394 CD1 ILE A 29 7.362 7.084 -9.742 1.00 24.13 C ATOM 0 H ILE A 29 3.480 6.088 -8.280 1.00 25.44 H new ATOM 0 HA ILE A 29 5.148 7.296 -6.198 1.00 33.30 H new ATOM 0 HB ILE A 29 4.783 7.994 -9.142 1.00 4.21 H new ATOM 0 HG12 ILE A 29 7.071 6.616 -7.678 1.00 72.44 H new ATOM 0 HG13 ILE A 29 5.937 5.831 -8.759 1.00 72.44 H new ATOM 0 HG21 ILE A 29 6.733 9.477 -8.803 1.00 3.40 H new ATOM 0 HG22 ILE A 29 5.354 9.965 -7.790 1.00 3.40 H new ATOM 0 HG23 ILE A 29 6.722 9.087 -7.067 1.00 3.40 H new ATOM 0 HD11 ILE A 29 8.067 6.265 -9.887 1.00 24.13 H new ATOM 0 HD12 ILE A 29 6.759 7.208 -10.642 1.00 24.13 H new ATOM 0 HD13 ILE A 29 7.911 8.004 -9.544 1.00 24.13 H new ATOM 406 N ILE A 30 3.618 9.163 -5.686 1.00 14.33 N ATOM 407 CA ILE A 30 2.731 10.207 -5.284 1.00 10.33 C ATOM 408 C ILE A 30 3.458 11.548 -5.395 1.00 2.44 C ATOM 409 O ILE A 30 4.650 11.661 -5.038 1.00 74.12 O ATOM 410 CB ILE A 30 2.230 9.981 -3.821 1.00 0.14 C ATOM 411 CG1 ILE A 30 1.540 8.605 -3.699 1.00 62.24 C ATOM 412 CG2 ILE A 30 1.286 11.096 -3.395 1.00 62.11 C ATOM 413 CD1 ILE A 30 1.060 8.264 -2.298 1.00 14.45 C ATOM 0 H ILE A 30 4.366 8.976 -5.019 1.00 14.33 H new ATOM 0 HA ILE A 30 1.859 10.206 -5.938 1.00 10.33 H new ATOM 0 HB ILE A 30 3.092 9.997 -3.154 1.00 0.14 H new ATOM 0 HG12 ILE A 30 0.688 8.578 -4.378 1.00 62.24 H new ATOM 0 HG13 ILE A 30 2.235 7.833 -4.029 1.00 62.24 H new ATOM 0 HG21 ILE A 30 0.950 10.918 -2.374 1.00 62.11 H new ATOM 0 HG22 ILE A 30 1.807 12.052 -3.444 1.00 62.11 H new ATOM 0 HG23 ILE A 30 0.424 11.118 -4.062 1.00 62.11 H new ATOM 0 HD11 ILE A 30 0.588 7.281 -2.304 1.00 14.45 H new ATOM 0 HD12 ILE A 30 1.909 8.255 -1.615 1.00 14.45 H new ATOM 0 HD13 ILE A 30 0.338 9.011 -1.969 1.00 14.45 H new ATOM 425 N GLY A 31 2.781 12.522 -5.942 1.00 3.30 N ATOM 426 CA GLY A 31 3.329 13.836 -6.076 1.00 64.10 C ATOM 427 C GLY A 31 2.823 14.486 -7.299 1.00 12.33 C ATOM 428 O GLY A 31 1.876 14.003 -7.896 1.00 33.11 O ATOM 0 H GLY A 31 1.833 12.422 -6.306 1.00 3.30 H new ATOM 0 HA2 GLY A 31 3.068 14.436 -5.204 1.00 64.10 H new ATOM 0 HA3 GLY A 31 4.417 13.781 -6.110 1.00 64.10 H new ATOM 432 N ARG A 32 3.402 15.574 -7.681 1.00 32.25 N ATOM 433 CA ARG A 32 2.968 16.219 -8.877 1.00 71.15 C ATOM 434 C ARG A 32 4.047 16.230 -9.892 1.00 73.54 C ATOM 435 O ARG A 32 5.011 16.980 -9.791 1.00 60.14 O ATOM 436 CB ARG A 32 2.446 17.621 -8.627 1.00 43.44 C ATOM 437 CG ARG A 32 1.150 17.650 -7.858 1.00 74.14 C ATOM 438 CD ARG A 32 0.554 19.050 -7.842 1.00 64.14 C ATOM 439 NE ARG A 32 1.274 19.944 -6.929 1.00 43.42 N ATOM 440 CZ ARG A 32 2.174 20.881 -7.275 1.00 42.55 C ATOM 441 NH1 ARG A 32 2.496 21.095 -8.549 1.00 1.43 N ATOM 442 NH2 ARG A 32 2.716 21.620 -6.331 1.00 63.44 N ATOM 0 H ARG A 32 4.169 16.033 -7.190 1.00 32.25 H new ATOM 0 HA ARG A 32 2.132 15.636 -9.263 1.00 71.15 H new ATOM 0 HB2 ARG A 32 3.198 18.188 -8.078 1.00 43.44 H new ATOM 0 HB3 ARG A 32 2.303 18.123 -9.584 1.00 43.44 H new ATOM 0 HG2 ARG A 32 0.441 16.955 -8.308 1.00 74.14 H new ATOM 0 HG3 ARG A 32 1.322 17.313 -6.836 1.00 74.14 H new ATOM 0 HD2 ARG A 32 0.578 19.465 -8.849 1.00 64.14 H new ATOM 0 HD3 ARG A 32 -0.493 18.995 -7.544 1.00 64.14 H new ATOM 0 HE ARG A 32 1.072 19.845 -5.934 1.00 43.42 H new ATOM 0 HH11 ARG A 32 2.057 20.543 -9.286 1.00 1.43 H new ATOM 0 HH12 ARG A 32 3.182 21.811 -8.788 1.00 1.43 H new ATOM 0 HH21 ARG A 32 2.451 21.477 -5.356 1.00 63.44 H new ATOM 0 HH22 ARG A 32 3.401 22.336 -6.574 1.00 63.44 H new ATOM 456 N GLY A 33 3.876 15.412 -10.874 1.00 45.34 N ATOM 457 CA GLY A 33 4.805 15.302 -11.919 1.00 51.20 C ATOM 458 C GLY A 33 4.277 14.391 -12.967 1.00 71.10 C ATOM 459 O GLY A 33 3.200 13.809 -12.796 1.00 44.11 O ATOM 0 H GLY A 33 3.069 14.795 -10.964 1.00 45.34 H new ATOM 0 HA2 GLY A 33 5.005 16.285 -12.345 1.00 51.20 H new ATOM 0 HA3 GLY A 33 5.752 14.922 -11.537 1.00 51.20 H new ATOM 463 N GLN A 34 5.028 14.237 -14.017 1.00 61.41 N ATOM 464 CA GLN A 34 4.663 13.382 -15.139 1.00 31.41 C ATOM 465 C GLN A 34 4.885 11.906 -14.776 1.00 0.15 C ATOM 466 O GLN A 34 4.306 10.993 -15.382 1.00 33.23 O ATOM 467 CB GLN A 34 5.503 13.790 -16.361 1.00 4.25 C ATOM 468 CG GLN A 34 7.010 13.664 -16.142 1.00 54.20 C ATOM 469 CD GLN A 34 7.827 14.368 -17.199 1.00 72.35 C ATOM 470 OE1 GLN A 34 8.173 13.793 -18.220 1.00 75.15 O ATOM 471 NE2 GLN A 34 8.154 15.609 -16.952 1.00 33.32 N ATOM 0 H GLN A 34 5.928 14.703 -14.133 1.00 61.41 H new ATOM 0 HA GLN A 34 3.606 13.504 -15.377 1.00 31.41 H new ATOM 0 HB2 GLN A 34 5.216 13.171 -17.211 1.00 4.25 H new ATOM 0 HB3 GLN A 34 5.268 14.821 -16.624 1.00 4.25 H new ATOM 0 HG2 GLN A 34 7.264 14.073 -15.164 1.00 54.20 H new ATOM 0 HG3 GLN A 34 7.281 12.608 -16.126 1.00 54.20 H new ATOM 0 HE21 GLN A 34 7.846 16.055 -16.088 1.00 33.32 H new ATOM 0 HE22 GLN A 34 8.717 16.131 -17.623 1.00 33.32 H new ATOM 480 N ASP A 35 5.706 11.695 -13.773 1.00 30.34 N ATOM 481 CA ASP A 35 6.057 10.362 -13.297 1.00 24.25 C ATOM 482 C ASP A 35 5.081 9.934 -12.240 1.00 14.20 C ATOM 483 O ASP A 35 4.806 8.748 -12.058 1.00 4.33 O ATOM 484 CB ASP A 35 7.438 10.381 -12.659 1.00 61.30 C ATOM 485 CG ASP A 35 8.471 11.058 -13.499 1.00 44.53 C ATOM 486 OD1 ASP A 35 9.133 10.396 -14.314 1.00 2.22 O ATOM 487 OD2 ASP A 35 8.659 12.269 -13.333 1.00 43.12 O ATOM 0 H ASP A 35 6.158 12.448 -13.254 1.00 30.34 H new ATOM 0 HA ASP A 35 6.039 9.679 -14.146 1.00 24.25 H new ATOM 0 HB2 ASP A 35 7.377 10.885 -11.694 1.00 61.30 H new ATOM 0 HB3 ASP A 35 7.754 9.356 -12.464 1.00 61.30 H new ATOM 492 N ALA A 36 4.557 10.912 -11.547 1.00 21.45 N ATOM 493 CA ALA A 36 3.657 10.686 -10.456 1.00 51.01 C ATOM 494 C ALA A 36 2.371 10.082 -10.947 1.00 4.03 C ATOM 495 O ALA A 36 1.899 10.402 -12.027 1.00 43.14 O ATOM 496 CB ALA A 36 3.394 11.972 -9.728 1.00 50.21 C ATOM 0 H ALA A 36 4.748 11.897 -11.730 1.00 21.45 H new ATOM 0 HA ALA A 36 4.119 9.982 -9.763 1.00 51.01 H new ATOM 0 HB1 ALA A 36 2.709 11.788 -8.901 1.00 50.21 H new ATOM 0 HB2 ALA A 36 4.332 12.369 -9.341 1.00 50.21 H new ATOM 0 HB3 ALA A 36 2.950 12.694 -10.413 1.00 50.21 H new ATOM 502 N GLN A 37 1.842 9.191 -10.180 1.00 10.13 N ATOM 503 CA GLN A 37 0.625 8.516 -10.513 1.00 10.52 C ATOM 504 C GLN A 37 -0.523 9.252 -9.845 1.00 71.03 C ATOM 505 O GLN A 37 -1.529 9.594 -10.471 1.00 14.11 O ATOM 506 CB GLN A 37 0.695 7.076 -10.001 1.00 72.31 C ATOM 507 CG GLN A 37 1.888 6.269 -10.520 1.00 23.05 C ATOM 508 CD GLN A 37 1.880 6.098 -12.026 1.00 15.21 C ATOM 509 OE1 GLN A 37 1.303 5.150 -12.540 1.00 74.34 O ATOM 510 NE2 GLN A 37 2.553 6.971 -12.734 1.00 44.13 N ATOM 0 H GLN A 37 2.246 8.903 -9.289 1.00 10.13 H new ATOM 0 HA GLN A 37 0.475 8.500 -11.592 1.00 10.52 H new ATOM 0 HB2 GLN A 37 0.732 7.094 -8.912 1.00 72.31 H new ATOM 0 HB3 GLN A 37 -0.224 6.561 -10.280 1.00 72.31 H new ATOM 0 HG2 GLN A 37 2.812 6.765 -10.221 1.00 23.05 H new ATOM 0 HG3 GLN A 37 1.887 5.286 -10.049 1.00 23.05 H new ATOM 0 HE21 GLN A 37 3.022 7.750 -12.272 1.00 44.13 H new ATOM 0 HE22 GLN A 37 2.608 6.872 -13.748 1.00 44.13 H new ATOM 519 N PHE A 38 -0.338 9.528 -8.585 1.00 21.21 N ATOM 520 CA PHE A 38 -1.314 10.217 -7.785 1.00 73.11 C ATOM 521 C PHE A 38 -0.806 11.612 -7.473 1.00 64.41 C ATOM 522 O PHE A 38 0.206 11.781 -6.787 1.00 65.44 O ATOM 523 CB PHE A 38 -1.589 9.396 -6.519 1.00 62.21 C ATOM 524 CG PHE A 38 -2.463 10.046 -5.478 1.00 3.42 C ATOM 525 CD1 PHE A 38 -3.720 10.551 -5.787 1.00 11.31 C ATOM 526 CD2 PHE A 38 -2.028 10.112 -4.173 1.00 52.11 C ATOM 527 CE1 PHE A 38 -4.509 11.106 -4.803 1.00 32.15 C ATOM 528 CE2 PHE A 38 -2.798 10.664 -3.196 1.00 33.32 C ATOM 529 CZ PHE A 38 -4.045 11.164 -3.504 1.00 23.51 C ATOM 0 H PHE A 38 0.509 9.277 -8.075 1.00 21.21 H new ATOM 0 HA PHE A 38 -2.257 10.324 -8.321 1.00 73.11 H new ATOM 0 HB2 PHE A 38 -2.052 8.455 -6.816 1.00 62.21 H new ATOM 0 HB3 PHE A 38 -0.633 9.149 -6.057 1.00 62.21 H new ATOM 0 HD1 PHE A 38 -4.081 10.508 -6.804 1.00 11.31 H new ATOM 0 HD2 PHE A 38 -1.055 9.717 -3.920 1.00 52.11 H new ATOM 0 HE1 PHE A 38 -5.487 11.494 -5.047 1.00 32.15 H new ATOM 0 HE2 PHE A 38 -2.432 10.710 -2.181 1.00 33.32 H new ATOM 0 HZ PHE A 38 -4.659 11.601 -2.730 1.00 23.51 H new ATOM 539 N ARG A 39 -1.484 12.597 -8.007 1.00 41.34 N ATOM 540 CA ARG A 39 -1.082 13.979 -7.855 1.00 54.44 C ATOM 541 C ARG A 39 -1.703 14.609 -6.632 1.00 4.12 C ATOM 542 O ARG A 39 -2.918 14.794 -6.573 1.00 20.41 O ATOM 543 CB ARG A 39 -1.425 14.841 -9.092 1.00 1.42 C ATOM 544 CG ARG A 39 -0.608 14.597 -10.371 1.00 14.13 C ATOM 545 CD ARG A 39 -0.888 13.253 -11.017 1.00 4.13 C ATOM 546 NE ARG A 39 -0.201 13.125 -12.309 1.00 23.13 N ATOM 547 CZ ARG A 39 -0.370 12.118 -13.174 1.00 3.02 C ATOM 548 NH1 ARG A 39 -1.112 11.062 -12.851 1.00 32.45 N ATOM 549 NH2 ARG A 39 0.229 12.158 -14.358 1.00 52.43 N ATOM 0 H ARG A 39 -2.331 12.467 -8.560 1.00 41.34 H new ATOM 0 HA ARG A 39 0.002 13.955 -7.742 1.00 54.44 H new ATOM 0 HB2 ARG A 39 -2.477 14.686 -9.330 1.00 1.42 H new ATOM 0 HB3 ARG A 39 -1.312 15.889 -8.814 1.00 1.42 H new ATOM 0 HG2 ARG A 39 -0.824 15.389 -11.088 1.00 14.13 H new ATOM 0 HG3 ARG A 39 0.454 14.664 -10.133 1.00 14.13 H new ATOM 0 HD2 ARG A 39 -0.565 12.453 -10.351 1.00 4.13 H new ATOM 0 HD3 ARG A 39 -1.962 13.134 -11.161 1.00 4.13 H new ATOM 0 HE ARG A 39 0.456 13.861 -12.567 1.00 23.13 H new ATOM 0 HH11 ARG A 39 -1.559 11.014 -11.936 1.00 32.45 H new ATOM 0 HH12 ARG A 39 -1.234 10.301 -13.519 1.00 32.45 H new ATOM 0 HH21 ARG A 39 0.816 12.955 -14.606 1.00 52.43 H new ATOM 0 HH22 ARG A 39 0.102 11.392 -15.020 1.00 52.43 H new ATOM 563 N LEU A 40 -0.877 14.945 -5.667 1.00 51.15 N ATOM 564 CA LEU A 40 -1.345 15.644 -4.485 1.00 15.11 C ATOM 565 C LEU A 40 -1.498 17.129 -4.766 1.00 31.33 C ATOM 566 O LEU A 40 -0.551 17.770 -5.209 1.00 12.53 O ATOM 567 CB LEU A 40 -0.433 15.425 -3.286 1.00 65.12 C ATOM 568 CG LEU A 40 -0.556 14.081 -2.586 1.00 55.22 C ATOM 569 CD1 LEU A 40 0.405 14.018 -1.434 1.00 25.32 C ATOM 570 CD2 LEU A 40 -1.972 13.878 -2.080 1.00 30.12 C ATOM 0 H LEU A 40 0.124 14.747 -5.675 1.00 51.15 H new ATOM 0 HA LEU A 40 -2.320 15.226 -4.233 1.00 15.11 H new ATOM 0 HB2 LEU A 40 0.599 15.547 -3.614 1.00 65.12 H new ATOM 0 HB3 LEU A 40 -0.631 16.211 -2.557 1.00 65.12 H new ATOM 0 HG LEU A 40 -0.319 13.292 -3.300 1.00 55.22 H new ATOM 0 HD11 LEU A 40 0.313 13.053 -0.936 1.00 25.32 H new ATOM 0 HD12 LEU A 40 1.423 14.140 -1.803 1.00 25.32 H new ATOM 0 HD13 LEU A 40 0.177 14.815 -0.726 1.00 25.32 H new ATOM 0 HD21 LEU A 40 -2.045 12.912 -1.581 1.00 30.12 H new ATOM 0 HD22 LEU A 40 -2.224 14.670 -1.375 1.00 30.12 H new ATOM 0 HD23 LEU A 40 -2.666 13.906 -2.920 1.00 30.12 H new ATOM 582 N PRO A 41 -2.682 17.697 -4.502 1.00 65.13 N ATOM 583 CA PRO A 41 -2.989 19.107 -4.809 1.00 31.22 C ATOM 584 C PRO A 41 -2.253 20.170 -3.943 1.00 54.24 C ATOM 585 O PRO A 41 -2.547 21.364 -4.058 1.00 41.54 O ATOM 586 CB PRO A 41 -4.508 19.216 -4.582 1.00 3.51 C ATOM 587 CG PRO A 41 -5.010 17.825 -4.381 1.00 10.31 C ATOM 588 CD PRO A 41 -3.850 17.006 -3.906 1.00 70.54 C ATOM 0 HA PRO A 41 -2.650 19.331 -5.821 1.00 31.22 H new ATOM 0 HB2 PRO A 41 -4.726 19.836 -3.713 1.00 3.51 H new ATOM 0 HB3 PRO A 41 -4.995 19.684 -5.438 1.00 3.51 H new ATOM 0 HG2 PRO A 41 -5.819 17.809 -3.650 1.00 10.31 H new ATOM 0 HG3 PRO A 41 -5.412 17.422 -5.311 1.00 10.31 H new ATOM 0 HD2 PRO A 41 -3.792 16.983 -2.818 1.00 70.54 H new ATOM 0 HD3 PRO A 41 -3.922 15.972 -4.244 1.00 70.54 H new ATOM 596 N ASP A 42 -1.314 19.774 -3.100 1.00 53.21 N ATOM 597 CA ASP A 42 -0.602 20.773 -2.273 1.00 4.03 C ATOM 598 C ASP A 42 0.654 21.286 -3.020 1.00 43.41 C ATOM 599 O ASP A 42 1.008 20.781 -4.109 1.00 12.23 O ATOM 600 CB ASP A 42 -0.206 20.208 -0.893 1.00 62.14 C ATOM 601 CG ASP A 42 0.029 21.297 0.159 1.00 30.11 C ATOM 602 OD1 ASP A 42 1.161 21.809 0.271 1.00 63.31 O ATOM 603 OD2 ASP A 42 -0.935 21.680 0.866 1.00 72.45 O ATOM 0 H ASP A 42 -1.024 18.806 -2.961 1.00 53.21 H new ATOM 0 HA ASP A 42 -1.287 21.603 -2.101 1.00 4.03 H new ATOM 0 HB2 ASP A 42 -0.991 19.537 -0.543 1.00 62.14 H new ATOM 0 HB3 ASP A 42 0.700 19.611 -0.998 1.00 62.14 H new ATOM 608 N THR A 43 1.336 22.239 -2.439 1.00 63.02 N ATOM 609 CA THR A 43 2.470 22.865 -3.038 1.00 74.35 C ATOM 610 C THR A 43 3.727 22.509 -2.234 1.00 52.44 C ATOM 611 O THR A 43 3.692 22.474 -1.019 1.00 3.42 O ATOM 612 CB THR A 43 2.255 24.389 -3.070 1.00 33.22 C ATOM 613 OG1 THR A 43 0.971 24.662 -3.660 1.00 71.42 O ATOM 614 CG2 THR A 43 3.331 25.083 -3.882 1.00 13.11 C ATOM 0 H THR A 43 1.107 22.605 -1.515 1.00 63.02 H new ATOM 0 HA THR A 43 2.597 22.511 -4.061 1.00 74.35 H new ATOM 0 HB THR A 43 2.302 24.767 -2.049 1.00 33.22 H new ATOM 0 HG1 THR A 43 0.821 25.630 -3.684 1.00 71.42 H new ATOM 0 HG21 THR A 43 3.149 26.158 -3.884 1.00 13.11 H new ATOM 0 HG22 THR A 43 4.307 24.881 -3.441 1.00 13.11 H new ATOM 0 HG23 THR A 43 3.312 24.710 -4.906 1.00 13.11 H new ATOM 622 N GLY A 44 4.810 22.229 -2.917 1.00 70.22 N ATOM 623 CA GLY A 44 6.027 21.812 -2.257 1.00 50.33 C ATOM 624 C GLY A 44 6.282 20.362 -2.537 1.00 43.52 C ATOM 625 O GLY A 44 7.381 19.836 -2.301 1.00 20.05 O ATOM 0 H GLY A 44 4.875 22.282 -3.934 1.00 70.22 H new ATOM 0 HA2 GLY A 44 6.866 22.413 -2.607 1.00 50.33 H new ATOM 0 HA3 GLY A 44 5.944 21.976 -1.183 1.00 50.33 H new ATOM 629 N VAL A 45 5.261 19.731 -3.048 1.00 23.23 N ATOM 630 CA VAL A 45 5.279 18.345 -3.422 1.00 62.53 C ATOM 631 C VAL A 45 6.057 18.202 -4.730 1.00 21.51 C ATOM 632 O VAL A 45 5.737 18.857 -5.723 1.00 41.10 O ATOM 633 CB VAL A 45 3.825 17.825 -3.603 1.00 31.51 C ATOM 634 CG1 VAL A 45 3.795 16.354 -3.907 1.00 2.04 C ATOM 635 CG2 VAL A 45 2.987 18.120 -2.374 1.00 13.24 C ATOM 0 H VAL A 45 4.363 20.184 -3.221 1.00 23.23 H new ATOM 0 HA VAL A 45 5.760 17.756 -2.642 1.00 62.53 H new ATOM 0 HB VAL A 45 3.399 18.354 -4.455 1.00 31.51 H new ATOM 0 HG11 VAL A 45 2.762 16.028 -4.027 1.00 2.04 H new ATOM 0 HG12 VAL A 45 4.345 16.162 -4.828 1.00 2.04 H new ATOM 0 HG13 VAL A 45 4.256 15.804 -3.087 1.00 2.04 H new ATOM 0 HG21 VAL A 45 1.974 17.746 -2.526 1.00 13.24 H new ATOM 0 HG22 VAL A 45 3.428 17.630 -1.506 1.00 13.24 H new ATOM 0 HG23 VAL A 45 2.955 19.196 -2.205 1.00 13.24 H new ATOM 645 N SER A 46 7.075 17.381 -4.704 1.00 65.02 N ATOM 646 CA SER A 46 7.945 17.173 -5.845 1.00 54.43 C ATOM 647 C SER A 46 7.275 16.290 -6.929 1.00 41.23 C ATOM 648 O SER A 46 6.180 15.731 -6.703 1.00 52.24 O ATOM 649 CB SER A 46 9.237 16.533 -5.337 1.00 31.44 C ATOM 650 OG SER A 46 9.833 17.349 -4.333 1.00 0.45 O ATOM 0 H SER A 46 7.330 16.830 -3.884 1.00 65.02 H new ATOM 0 HA SER A 46 8.157 18.130 -6.321 1.00 54.43 H new ATOM 0 HB2 SER A 46 9.026 15.543 -4.932 1.00 31.44 H new ATOM 0 HB3 SER A 46 9.933 16.397 -6.165 1.00 31.44 H new ATOM 0 HG SER A 46 10.658 16.927 -4.015 1.00 0.45 H new ATOM 656 N ARG A 47 7.937 16.175 -8.109 1.00 72.32 N ATOM 657 CA ARG A 47 7.439 15.328 -9.226 1.00 13.32 C ATOM 658 C ARG A 47 7.352 13.880 -8.794 1.00 15.11 C ATOM 659 O ARG A 47 6.527 13.106 -9.276 1.00 12.33 O ATOM 660 CB ARG A 47 8.310 15.474 -10.489 1.00 40.21 C ATOM 661 CG ARG A 47 9.778 15.115 -10.296 1.00 35.20 C ATOM 662 CD ARG A 47 10.589 15.368 -11.550 1.00 14.43 C ATOM 663 NE ARG A 47 10.218 14.492 -12.679 1.00 52.21 N ATOM 664 CZ ARG A 47 10.722 14.584 -13.919 1.00 31.44 C ATOM 665 NH1 ARG A 47 11.596 15.525 -14.226 1.00 60.40 N ATOM 666 NH2 ARG A 47 10.349 13.715 -14.837 1.00 12.22 N ATOM 0 H ARG A 47 8.813 16.656 -8.312 1.00 72.32 H new ATOM 0 HA ARG A 47 6.438 15.675 -9.483 1.00 13.32 H new ATOM 0 HB2 ARG A 47 7.896 14.842 -11.274 1.00 40.21 H new ATOM 0 HB3 ARG A 47 8.245 16.503 -10.841 1.00 40.21 H new ATOM 0 HG2 ARG A 47 10.190 15.699 -9.473 1.00 35.20 H new ATOM 0 HG3 ARG A 47 9.861 14.065 -10.015 1.00 35.20 H new ATOM 0 HD2 ARG A 47 10.463 16.408 -11.851 1.00 14.43 H new ATOM 0 HD3 ARG A 47 11.646 15.228 -11.324 1.00 14.43 H new ATOM 0 HE ARG A 47 9.527 13.763 -12.503 1.00 52.21 H new ATOM 0 HH11 ARG A 47 11.896 16.193 -13.516 1.00 60.40 H new ATOM 0 HH12 ARG A 47 11.971 15.583 -15.173 1.00 60.40 H new ATOM 0 HH21 ARG A 47 9.682 12.980 -14.602 1.00 12.22 H new ATOM 0 HH22 ARG A 47 10.727 13.778 -15.782 1.00 12.22 H new ATOM 680 N ARG A 48 8.239 13.536 -7.913 1.00 33.43 N ATOM 681 CA ARG A 48 8.260 12.295 -7.229 1.00 4.32 C ATOM 682 C ARG A 48 8.515 12.684 -5.813 1.00 45.31 C ATOM 683 O ARG A 48 9.617 13.052 -5.481 1.00 31.11 O ATOM 684 CB ARG A 48 9.389 11.370 -7.735 1.00 31.14 C ATOM 685 CG ARG A 48 9.312 11.036 -9.216 1.00 12.11 C ATOM 686 CD ARG A 48 10.408 10.072 -9.634 1.00 32.41 C ATOM 687 NE ARG A 48 10.354 9.793 -11.078 1.00 5.05 N ATOM 688 CZ ARG A 48 10.730 8.645 -11.672 1.00 61.14 C ATOM 689 NH1 ARG A 48 11.202 7.643 -10.952 1.00 63.44 N ATOM 690 NH2 ARG A 48 10.597 8.507 -12.989 1.00 64.01 N ATOM 0 H ARG A 48 9.006 14.152 -7.642 1.00 33.43 H new ATOM 0 HA ARG A 48 7.336 11.735 -7.375 1.00 4.32 H new ATOM 0 HB2 ARG A 48 10.349 11.844 -7.532 1.00 31.14 H new ATOM 0 HB3 ARG A 48 9.365 10.442 -7.164 1.00 31.14 H new ATOM 0 HG2 ARG A 48 8.339 10.599 -9.440 1.00 12.11 H new ATOM 0 HG3 ARG A 48 9.392 11.953 -9.800 1.00 12.11 H new ATOM 0 HD2 ARG A 48 11.381 10.492 -9.379 1.00 32.41 H new ATOM 0 HD3 ARG A 48 10.307 9.140 -9.078 1.00 32.41 H new ATOM 0 HE ARG A 48 10.000 10.535 -11.682 1.00 5.05 H new ATOM 0 HH11 ARG A 48 11.283 7.736 -9.940 1.00 63.44 H new ATOM 0 HH12 ARG A 48 11.485 6.776 -11.409 1.00 63.44 H new ATOM 0 HH21 ARG A 48 10.211 9.270 -13.545 1.00 64.01 H new ATOM 0 HH22 ARG A 48 10.881 7.638 -13.442 1.00 64.01 H new ATOM 704 N HIS A 49 7.486 12.725 -5.028 1.00 40.52 N ATOM 705 CA HIS A 49 7.593 13.180 -3.651 1.00 24.33 C ATOM 706 C HIS A 49 7.744 11.998 -2.747 1.00 35.34 C ATOM 707 O HIS A 49 8.456 12.036 -1.767 1.00 12.31 O ATOM 708 CB HIS A 49 6.357 14.035 -3.259 1.00 72.21 C ATOM 709 CG HIS A 49 6.297 14.468 -1.803 1.00 72.04 C ATOM 710 ND1 HIS A 49 6.606 15.747 -1.410 1.00 44.15 N ATOM 711 CD2 HIS A 49 5.951 13.743 -0.709 1.00 51.13 C ATOM 712 CE1 HIS A 49 6.442 15.755 -0.085 1.00 53.20 C ATOM 713 NE2 HIS A 49 6.053 14.566 0.370 1.00 51.22 N ATOM 0 H HIS A 49 6.545 12.448 -5.308 1.00 40.52 H new ATOM 0 HA HIS A 49 8.474 13.814 -3.548 1.00 24.33 H new ATOM 0 HB2 HIS A 49 6.340 14.926 -3.886 1.00 72.21 H new ATOM 0 HB3 HIS A 49 5.456 13.466 -3.488 1.00 72.21 H new ATOM 0 HD2 HIS A 49 5.651 12.706 -0.697 1.00 51.13 H new ATOM 0 HE1 HIS A 49 6.605 16.620 0.541 1.00 53.20 H new ATOM 0 HE2 HIS A 49 5.867 14.319 1.342 1.00 51.22 H new ATOM 721 N LEU A 50 7.071 10.955 -3.078 1.00 33.13 N ATOM 722 CA LEU A 50 7.114 9.770 -2.305 1.00 71.21 C ATOM 723 C LEU A 50 6.600 8.652 -3.142 1.00 40.32 C ATOM 724 O LEU A 50 5.781 8.869 -4.029 1.00 64.20 O ATOM 725 CB LEU A 50 6.296 9.978 -1.000 1.00 63.45 C ATOM 726 CG LEU A 50 6.093 8.787 -0.064 1.00 11.41 C ATOM 727 CD1 LEU A 50 5.914 9.298 1.346 1.00 53.00 C ATOM 728 CD2 LEU A 50 4.841 8.015 -0.455 1.00 20.00 C ATOM 0 H LEU A 50 6.470 10.901 -3.900 1.00 33.13 H new ATOM 0 HA LEU A 50 8.131 9.522 -2.002 1.00 71.21 H new ATOM 0 HB2 LEU A 50 6.781 10.769 -0.428 1.00 63.45 H new ATOM 0 HB3 LEU A 50 5.310 10.348 -1.283 1.00 63.45 H new ATOM 0 HG LEU A 50 6.961 8.131 -0.133 1.00 11.41 H new ATOM 0 HD11 LEU A 50 5.768 8.456 2.022 1.00 53.00 H new ATOM 0 HD12 LEU A 50 6.801 9.855 1.646 1.00 53.00 H new ATOM 0 HD13 LEU A 50 5.043 9.952 1.388 1.00 53.00 H new ATOM 0 HD21 LEU A 50 4.709 7.170 0.220 1.00 20.00 H new ATOM 0 HD22 LEU A 50 3.973 8.671 -0.389 1.00 20.00 H new ATOM 0 HD23 LEU A 50 4.943 7.650 -1.477 1.00 20.00 H new ATOM 740 N GLU A 51 7.109 7.496 -2.921 1.00 32.51 N ATOM 741 CA GLU A 51 6.646 6.338 -3.622 1.00 14.25 C ATOM 742 C GLU A 51 6.406 5.229 -2.648 1.00 40.34 C ATOM 743 O GLU A 51 7.123 5.086 -1.644 1.00 60.34 O ATOM 744 CB GLU A 51 7.624 5.898 -4.714 1.00 3.44 C ATOM 745 CG GLU A 51 9.006 5.547 -4.207 1.00 44.21 C ATOM 746 CD GLU A 51 9.954 5.187 -5.313 1.00 14.21 C ATOM 747 OE1 GLU A 51 9.993 4.007 -5.736 1.00 72.21 O ATOM 748 OE2 GLU A 51 10.690 6.063 -5.780 1.00 53.04 O ATOM 0 H GLU A 51 7.858 7.317 -2.252 1.00 32.51 H new ATOM 0 HA GLU A 51 5.711 6.594 -4.121 1.00 14.25 H new ATOM 0 HB2 GLU A 51 7.209 5.033 -5.230 1.00 3.44 H new ATOM 0 HB3 GLU A 51 7.712 6.697 -5.450 1.00 3.44 H new ATOM 0 HG2 GLU A 51 9.409 6.392 -3.649 1.00 44.21 H new ATOM 0 HG3 GLU A 51 8.932 4.711 -3.511 1.00 44.21 H new ATOM 755 N ILE A 52 5.392 4.491 -2.894 1.00 13.22 N ATOM 756 CA ILE A 52 5.090 3.371 -2.089 1.00 74.15 C ATOM 757 C ILE A 52 5.220 2.134 -2.928 1.00 32.31 C ATOM 758 O ILE A 52 4.482 1.948 -3.903 1.00 75.12 O ATOM 759 CB ILE A 52 3.668 3.433 -1.491 1.00 42.22 C ATOM 760 CG1 ILE A 52 3.500 4.689 -0.624 1.00 75.34 C ATOM 761 CG2 ILE A 52 3.407 2.175 -0.676 1.00 63.40 C ATOM 762 CD1 ILE A 52 2.112 4.873 -0.042 1.00 41.44 C ATOM 0 H ILE A 52 4.743 4.648 -3.665 1.00 13.22 H new ATOM 0 HA ILE A 52 5.789 3.361 -1.253 1.00 74.15 H new ATOM 0 HB ILE A 52 2.941 3.489 -2.301 1.00 42.22 H new ATOM 0 HG12 ILE A 52 4.220 4.649 0.193 1.00 75.34 H new ATOM 0 HG13 ILE A 52 3.747 5.565 -1.224 1.00 75.34 H new ATOM 0 HG21 ILE A 52 2.403 2.217 -0.253 1.00 63.40 H new ATOM 0 HG22 ILE A 52 3.493 1.300 -1.320 1.00 63.40 H new ATOM 0 HG23 ILE A 52 4.138 2.105 0.130 1.00 63.40 H new ATOM 0 HD11 ILE A 52 2.086 5.784 0.555 1.00 41.44 H new ATOM 0 HD12 ILE A 52 1.385 4.948 -0.851 1.00 41.44 H new ATOM 0 HD13 ILE A 52 1.866 4.019 0.589 1.00 41.44 H new ATOM 774 N ARG A 53 6.164 1.320 -2.598 1.00 33.31 N ATOM 775 CA ARG A 53 6.313 0.079 -3.261 1.00 21.50 C ATOM 776 C ARG A 53 5.528 -0.957 -2.495 1.00 52.05 C ATOM 777 O ARG A 53 5.908 -1.356 -1.392 1.00 41.24 O ATOM 778 CB ARG A 53 7.781 -0.332 -3.379 1.00 50.54 C ATOM 779 CG ARG A 53 7.931 -1.726 -3.928 1.00 21.20 C ATOM 780 CD ARG A 53 9.354 -2.217 -3.940 1.00 41.45 C ATOM 781 NE ARG A 53 9.383 -3.640 -4.281 1.00 13.40 N ATOM 782 CZ ARG A 53 10.399 -4.308 -4.815 1.00 64.10 C ATOM 783 NH1 ARG A 53 11.581 -3.717 -5.005 1.00 62.15 N ATOM 784 NH2 ARG A 53 10.233 -5.584 -5.136 1.00 45.55 N ATOM 0 H ARG A 53 6.849 1.499 -1.864 1.00 33.31 H new ATOM 0 HA ARG A 53 5.934 0.168 -4.279 1.00 21.50 H new ATOM 0 HB2 ARG A 53 8.304 0.372 -4.027 1.00 50.54 H new ATOM 0 HB3 ARG A 53 8.254 -0.275 -2.399 1.00 50.54 H new ATOM 0 HG2 ARG A 53 7.324 -2.409 -3.334 1.00 21.20 H new ATOM 0 HG3 ARG A 53 7.537 -1.752 -4.944 1.00 21.20 H new ATOM 0 HD2 ARG A 53 9.939 -1.648 -4.663 1.00 41.45 H new ATOM 0 HD3 ARG A 53 9.812 -2.058 -2.964 1.00 41.45 H new ATOM 0 HE ARG A 53 8.535 -4.174 -4.089 1.00 13.40 H new ATOM 0 HH11 ARG A 53 11.712 -2.741 -4.739 1.00 62.15 H new ATOM 0 HH12 ARG A 53 12.353 -4.241 -5.416 1.00 62.15 H new ATOM 0 HH21 ARG A 53 9.335 -6.038 -4.972 1.00 45.55 H new ATOM 0 HH22 ARG A 53 11.004 -6.111 -5.547 1.00 45.55 H new ATOM 798 N TRP A 54 4.444 -1.366 -3.052 1.00 61.22 N ATOM 799 CA TRP A 54 3.602 -2.316 -2.413 1.00 13.32 C ATOM 800 C TRP A 54 3.715 -3.660 -3.091 1.00 1.50 C ATOM 801 O TRP A 54 3.443 -3.796 -4.292 1.00 52.23 O ATOM 802 CB TRP A 54 2.137 -1.811 -2.372 1.00 53.15 C ATOM 803 CG TRP A 54 1.113 -2.852 -1.948 1.00 45.13 C ATOM 804 CD1 TRP A 54 0.053 -3.298 -2.678 1.00 1.31 C ATOM 805 CD2 TRP A 54 1.078 -3.589 -0.722 1.00 4.32 C ATOM 806 NE1 TRP A 54 -0.639 -4.249 -1.978 1.00 25.23 N ATOM 807 CE2 TRP A 54 -0.027 -4.452 -0.780 1.00 24.02 C ATOM 808 CE3 TRP A 54 1.868 -3.605 0.406 1.00 40.22 C ATOM 809 CZ2 TRP A 54 -0.353 -5.319 0.262 1.00 11.22 C ATOM 810 CZ3 TRP A 54 1.555 -4.459 1.437 1.00 21.54 C ATOM 811 CH2 TRP A 54 0.454 -5.310 1.360 1.00 65.31 C ATOM 0 H TRP A 54 4.115 -1.052 -3.965 1.00 61.22 H new ATOM 0 HA TRP A 54 3.931 -2.439 -1.381 1.00 13.32 H new ATOM 0 HB2 TRP A 54 2.079 -0.965 -1.687 1.00 53.15 H new ATOM 0 HB3 TRP A 54 1.868 -1.440 -3.361 1.00 53.15 H new ATOM 0 HD1 TRP A 54 -0.205 -2.951 -3.668 1.00 1.31 H new ATOM 0 HE1 TRP A 54 -1.479 -4.729 -2.302 1.00 25.23 H new ATOM 0 HE3 TRP A 54 2.726 -2.953 0.480 1.00 40.22 H new ATOM 0 HZ2 TRP A 54 -1.211 -5.972 0.201 1.00 11.22 H new ATOM 0 HZ3 TRP A 54 2.173 -4.471 2.322 1.00 21.54 H new ATOM 0 HH2 TRP A 54 0.237 -5.973 2.184 1.00 65.31 H new ATOM 822 N ASP A 55 4.171 -4.614 -2.346 1.00 40.14 N ATOM 823 CA ASP A 55 4.233 -5.989 -2.784 1.00 75.55 C ATOM 824 C ASP A 55 3.307 -6.744 -1.904 1.00 21.34 C ATOM 825 O ASP A 55 2.991 -6.263 -0.825 1.00 64.43 O ATOM 826 CB ASP A 55 5.651 -6.578 -2.663 1.00 50.42 C ATOM 827 CG ASP A 55 6.624 -6.041 -3.683 1.00 73.31 C ATOM 828 OD1 ASP A 55 7.202 -4.952 -3.476 1.00 51.24 O ATOM 829 OD2 ASP A 55 6.839 -6.700 -4.714 1.00 74.55 O ATOM 0 H ASP A 55 4.519 -4.467 -1.399 1.00 40.14 H new ATOM 0 HA ASP A 55 3.959 -6.055 -3.837 1.00 75.55 H new ATOM 0 HB2 ASP A 55 6.036 -6.372 -1.664 1.00 50.42 H new ATOM 0 HB3 ASP A 55 5.594 -7.662 -2.765 1.00 50.42 H new ATOM 834 N GLY A 56 2.882 -7.908 -2.313 1.00 74.41 N ATOM 835 CA GLY A 56 1.944 -8.696 -1.521 1.00 70.35 C ATOM 836 C GLY A 56 2.569 -9.318 -0.286 1.00 4.22 C ATOM 837 O GLY A 56 2.563 -10.544 -0.134 1.00 41.11 O ATOM 0 H GLY A 56 3.164 -8.343 -3.191 1.00 74.41 H new ATOM 0 HA2 GLY A 56 1.113 -8.059 -1.217 1.00 70.35 H new ATOM 0 HA3 GLY A 56 1.528 -9.487 -2.145 1.00 70.35 H new ATOM 841 N GLN A 57 3.096 -8.476 0.578 1.00 64.22 N ATOM 842 CA GLN A 57 3.736 -8.870 1.803 1.00 52.22 C ATOM 843 C GLN A 57 4.028 -7.632 2.648 1.00 34.13 C ATOM 844 O GLN A 57 3.567 -7.520 3.781 1.00 70.05 O ATOM 845 CB GLN A 57 5.035 -9.626 1.520 1.00 71.15 C ATOM 846 CG GLN A 57 5.708 -10.175 2.759 1.00 12.01 C ATOM 847 CD GLN A 57 6.979 -10.906 2.441 1.00 53.44 C ATOM 848 OE1 GLN A 57 6.973 -12.110 2.203 1.00 33.11 O ATOM 849 NE2 GLN A 57 8.073 -10.202 2.434 1.00 4.40 N ATOM 0 H GLN A 57 3.087 -7.466 0.437 1.00 64.22 H new ATOM 0 HA GLN A 57 3.066 -9.535 2.348 1.00 52.22 H new ATOM 0 HB2 GLN A 57 4.823 -10.450 0.838 1.00 71.15 H new ATOM 0 HB3 GLN A 57 5.728 -8.959 1.008 1.00 71.15 H new ATOM 0 HG2 GLN A 57 5.925 -9.356 3.445 1.00 12.01 H new ATOM 0 HG3 GLN A 57 5.023 -10.849 3.273 1.00 12.01 H new ATOM 0 HE21 GLN A 57 8.038 -9.203 2.637 1.00 4.40 H new ATOM 0 HE22 GLN A 57 8.966 -10.649 2.226 1.00 4.40 H new ATOM 858 N VAL A 58 4.778 -6.698 2.088 1.00 70.30 N ATOM 859 CA VAL A 58 5.163 -5.490 2.808 1.00 20.23 C ATOM 860 C VAL A 58 4.975 -4.257 1.952 1.00 50.44 C ATOM 861 O VAL A 58 5.062 -4.319 0.712 1.00 71.23 O ATOM 862 CB VAL A 58 6.632 -5.525 3.347 1.00 14.24 C ATOM 863 CG1 VAL A 58 6.801 -6.561 4.450 1.00 52.13 C ATOM 864 CG2 VAL A 58 7.627 -5.781 2.219 1.00 23.33 C ATOM 0 H VAL A 58 5.135 -6.751 1.134 1.00 70.30 H new ATOM 0 HA VAL A 58 4.499 -5.447 3.671 1.00 20.23 H new ATOM 0 HB VAL A 58 6.840 -4.544 3.774 1.00 14.24 H new ATOM 0 HG11 VAL A 58 7.834 -6.556 4.799 1.00 52.13 H new ATOM 0 HG12 VAL A 58 6.136 -6.321 5.280 1.00 52.13 H new ATOM 0 HG13 VAL A 58 6.554 -7.549 4.062 1.00 52.13 H new ATOM 0 HG21 VAL A 58 8.639 -5.800 2.624 1.00 23.33 H new ATOM 0 HG22 VAL A 58 7.406 -6.740 1.749 1.00 23.33 H new ATOM 0 HG23 VAL A 58 7.548 -4.987 1.477 1.00 23.33 H new ATOM 874 N ALA A 59 4.707 -3.162 2.608 1.00 43.22 N ATOM 875 CA ALA A 59 4.515 -1.893 1.973 1.00 75.51 C ATOM 876 C ALA A 59 5.711 -1.033 2.251 1.00 72.04 C ATOM 877 O ALA A 59 5.904 -0.535 3.372 1.00 74.11 O ATOM 878 CB ALA A 59 3.247 -1.228 2.468 1.00 43.34 C ATOM 0 H ALA A 59 4.614 -3.129 3.623 1.00 43.22 H new ATOM 0 HA ALA A 59 4.408 -2.035 0.898 1.00 75.51 H new ATOM 0 HB1 ALA A 59 3.123 -0.266 1.971 1.00 43.34 H new ATOM 0 HB2 ALA A 59 2.391 -1.865 2.244 1.00 43.34 H new ATOM 0 HB3 ALA A 59 3.313 -1.074 3.545 1.00 43.34 H new ATOM 884 N LEU A 60 6.515 -0.892 1.259 1.00 43.32 N ATOM 885 CA LEU A 60 7.735 -0.172 1.358 1.00 54.14 C ATOM 886 C LEU A 60 7.507 1.294 1.037 1.00 30.31 C ATOM 887 O LEU A 60 7.228 1.667 -0.104 1.00 23.33 O ATOM 888 CB LEU A 60 8.747 -0.787 0.414 1.00 1.42 C ATOM 889 CG LEU A 60 10.124 -0.162 0.386 1.00 61.21 C ATOM 890 CD1 LEU A 60 10.826 -0.352 1.720 1.00 12.04 C ATOM 891 CD2 LEU A 60 10.917 -0.760 -0.744 1.00 31.51 C ATOM 0 H LEU A 60 6.339 -1.283 0.333 1.00 43.32 H new ATOM 0 HA LEU A 60 8.119 -0.231 2.376 1.00 54.14 H new ATOM 0 HB2 LEU A 60 8.857 -1.840 0.674 1.00 1.42 H new ATOM 0 HB3 LEU A 60 8.337 -0.749 -0.595 1.00 1.42 H new ATOM 0 HG LEU A 60 10.034 0.911 0.219 1.00 61.21 H new ATOM 0 HD11 LEU A 60 11.815 0.105 1.679 1.00 12.04 H new ATOM 0 HD12 LEU A 60 10.241 0.120 2.509 1.00 12.04 H new ATOM 0 HD13 LEU A 60 10.927 -1.417 1.930 1.00 12.04 H new ATOM 0 HD21 LEU A 60 11.911 -0.312 -0.768 1.00 31.51 H new ATOM 0 HD22 LEU A 60 11.007 -1.836 -0.596 1.00 31.51 H new ATOM 0 HD23 LEU A 60 10.408 -0.565 -1.688 1.00 31.51 H new ATOM 903 N LEU A 61 7.604 2.088 2.042 1.00 23.23 N ATOM 904 CA LEU A 61 7.404 3.506 1.961 1.00 2.15 C ATOM 905 C LEU A 61 8.763 4.162 1.714 1.00 44.31 C ATOM 906 O LEU A 61 9.710 3.922 2.464 1.00 34.44 O ATOM 907 CB LEU A 61 6.757 3.950 3.313 1.00 53.12 C ATOM 908 CG LEU A 61 6.320 5.426 3.545 1.00 75.43 C ATOM 909 CD1 LEU A 61 7.483 6.415 3.576 1.00 60.12 C ATOM 910 CD2 LEU A 61 5.279 5.835 2.527 1.00 25.24 C ATOM 0 H LEU A 61 7.833 1.765 2.982 1.00 23.23 H new ATOM 0 HA LEU A 61 6.744 3.802 1.145 1.00 2.15 H new ATOM 0 HB2 LEU A 61 5.875 3.328 3.464 1.00 53.12 H new ATOM 0 HB3 LEU A 61 7.464 3.698 4.103 1.00 53.12 H new ATOM 0 HG LEU A 61 5.880 5.463 4.542 1.00 75.43 H new ATOM 0 HD11 LEU A 61 7.100 7.422 3.742 1.00 60.12 H new ATOM 0 HD12 LEU A 61 8.165 6.149 4.383 1.00 60.12 H new ATOM 0 HD13 LEU A 61 8.015 6.381 2.625 1.00 60.12 H new ATOM 0 HD21 LEU A 61 4.984 6.870 2.703 1.00 25.24 H new ATOM 0 HD22 LEU A 61 5.695 5.742 1.524 1.00 25.24 H new ATOM 0 HD23 LEU A 61 4.406 5.188 2.619 1.00 25.24 H new ATOM 922 N ALA A 62 8.867 4.938 0.654 1.00 50.04 N ATOM 923 CA ALA A 62 10.093 5.640 0.338 1.00 3.32 C ATOM 924 C ALA A 62 9.809 7.119 0.082 1.00 51.12 C ATOM 925 O ALA A 62 8.951 7.466 -0.737 1.00 15.41 O ATOM 926 CB ALA A 62 10.780 5.001 -0.856 1.00 45.42 C ATOM 0 H ALA A 62 8.108 5.099 -0.009 1.00 50.04 H new ATOM 0 HA ALA A 62 10.767 5.568 1.192 1.00 3.32 H new ATOM 0 HB1 ALA A 62 11.700 5.542 -1.079 1.00 45.42 H new ATOM 0 HB2 ALA A 62 11.017 3.962 -0.627 1.00 45.42 H new ATOM 0 HB3 ALA A 62 10.118 5.040 -1.721 1.00 45.42 H new ATOM 932 N ASP A 63 10.531 7.968 0.777 1.00 2.31 N ATOM 933 CA ASP A 63 10.360 9.433 0.719 1.00 34.13 C ATOM 934 C ASP A 63 11.341 10.068 -0.268 1.00 42.32 C ATOM 935 O ASP A 63 12.546 9.774 -0.239 1.00 32.30 O ATOM 936 CB ASP A 63 10.557 10.021 2.132 1.00 71.42 C ATOM 937 CG ASP A 63 10.570 11.542 2.190 1.00 53.12 C ATOM 938 OD1 ASP A 63 9.523 12.164 1.946 1.00 44.24 O ATOM 939 OD2 ASP A 63 11.621 12.127 2.579 1.00 42.14 O ATOM 0 H ASP A 63 11.270 7.672 1.414 1.00 2.31 H new ATOM 0 HA ASP A 63 9.353 9.656 0.367 1.00 34.13 H new ATOM 0 HB2 ASP A 63 9.760 9.653 2.779 1.00 71.42 H new ATOM 0 HB3 ASP A 63 11.496 9.647 2.539 1.00 71.42 H new ATOM 944 N LEU A 64 10.825 10.892 -1.166 1.00 70.14 N ATOM 945 CA LEU A 64 11.642 11.603 -2.152 1.00 3.42 C ATOM 946 C LEU A 64 11.405 13.117 -2.044 1.00 12.11 C ATOM 947 O LEU A 64 10.711 13.690 -2.885 1.00 22.45 O ATOM 948 CB LEU A 64 11.255 11.219 -3.613 1.00 41.33 C ATOM 949 CG LEU A 64 11.524 9.823 -4.172 1.00 32.33 C ATOM 950 CD1 LEU A 64 13.001 9.500 -4.166 1.00 50.42 C ATOM 951 CD2 LEU A 64 10.714 8.746 -3.477 1.00 72.42 C ATOM 0 H LEU A 64 9.827 11.091 -1.237 1.00 70.14 H new ATOM 0 HA LEU A 64 12.676 11.330 -1.944 1.00 3.42 H new ATOM 0 HB2 LEU A 64 10.185 11.399 -3.714 1.00 41.33 H new ATOM 0 HB3 LEU A 64 11.761 11.926 -4.270 1.00 41.33 H new ATOM 0 HG LEU A 64 11.190 9.836 -5.210 1.00 32.33 H new ATOM 0 HD11 LEU A 64 13.156 8.500 -4.570 1.00 50.42 H new ATOM 0 HD12 LEU A 64 13.535 10.226 -4.779 1.00 50.42 H new ATOM 0 HD13 LEU A 64 13.378 9.541 -3.144 1.00 50.42 H new ATOM 0 HD21 LEU A 64 10.946 7.776 -3.916 1.00 72.42 H new ATOM 0 HD22 LEU A 64 10.961 8.733 -2.416 1.00 72.42 H new ATOM 0 HD23 LEU A 64 9.651 8.954 -3.599 1.00 72.42 H new ATOM 963 N ASN A 65 11.981 13.759 -1.051 1.00 40.14 N ATOM 964 CA ASN A 65 11.839 15.218 -0.890 1.00 12.24 C ATOM 965 C ASN A 65 12.609 15.643 0.331 1.00 71.52 C ATOM 966 O ASN A 65 12.282 15.259 1.428 1.00 23.00 O ATOM 967 CB ASN A 65 10.347 15.635 -0.717 1.00 23.44 C ATOM 968 CG ASN A 65 10.097 17.142 -0.844 1.00 33.44 C ATOM 969 OD1 ASN A 65 10.950 17.976 -0.536 1.00 11.20 O ATOM 970 ND2 ASN A 65 8.916 17.500 -1.272 1.00 72.13 N ATOM 0 H ASN A 65 12.554 13.309 -0.337 1.00 40.14 H new ATOM 0 HA ASN A 65 12.224 15.703 -1.787 1.00 12.24 H new ATOM 0 HB2 ASN A 65 9.747 15.114 -1.463 1.00 23.44 H new ATOM 0 HB3 ASN A 65 9.999 15.301 0.261 1.00 23.44 H new ATOM 0 HD21 ASN A 65 8.683 18.489 -1.357 1.00 72.13 H new ATOM 0 HD22 ASN A 65 8.227 16.790 -1.521 1.00 72.13 H new ATOM 977 N SER A 66 13.631 16.415 0.155 1.00 42.11 N ATOM 978 CA SER A 66 14.425 16.846 1.278 1.00 62.54 C ATOM 979 C SER A 66 13.802 18.078 1.963 1.00 12.43 C ATOM 980 O SER A 66 14.004 18.314 3.152 1.00 2.10 O ATOM 981 CB SER A 66 15.845 17.126 0.814 1.00 62.02 C ATOM 982 OG SER A 66 16.382 15.986 0.139 1.00 70.40 O ATOM 0 H SER A 66 13.942 16.764 -0.751 1.00 42.11 H new ATOM 0 HA SER A 66 14.449 16.050 2.022 1.00 62.54 H new ATOM 0 HB2 SER A 66 15.853 17.989 0.148 1.00 62.02 H new ATOM 0 HB3 SER A 66 16.471 17.378 1.670 1.00 62.02 H new ATOM 0 HG SER A 66 17.296 16.181 -0.156 1.00 70.40 H new ATOM 988 N THR A 67 13.012 18.826 1.222 1.00 13.25 N ATOM 989 CA THR A 67 12.408 20.024 1.746 1.00 64.52 C ATOM 990 C THR A 67 11.163 19.661 2.586 1.00 51.34 C ATOM 991 O THR A 67 11.111 19.903 3.789 1.00 74.25 O ATOM 992 CB THR A 67 11.983 20.950 0.585 1.00 73.11 C ATOM 993 OG1 THR A 67 13.029 20.983 -0.404 1.00 44.25 O ATOM 994 CG2 THR A 67 11.738 22.368 1.091 1.00 35.14 C ATOM 0 H THR A 67 12.775 18.621 0.251 1.00 13.25 H new ATOM 0 HA THR A 67 13.135 20.538 2.375 1.00 64.52 H new ATOM 0 HB THR A 67 11.061 20.563 0.150 1.00 73.11 H new ATOM 0 HG1 THR A 67 12.762 21.568 -1.143 1.00 44.25 H new ATOM 0 HG21 THR A 67 11.440 23.005 0.258 1.00 35.14 H new ATOM 0 HG22 THR A 67 10.946 22.355 1.840 1.00 35.14 H new ATOM 0 HG23 THR A 67 12.653 22.758 1.537 1.00 35.14 H new ATOM 1002 N ASN A 68 10.223 19.006 1.955 1.00 44.24 N ATOM 1003 CA ASN A 68 8.921 18.678 2.554 1.00 34.45 C ATOM 1004 C ASN A 68 8.876 17.221 2.948 1.00 13.51 C ATOM 1005 O ASN A 68 7.797 16.622 2.982 1.00 54.23 O ATOM 1006 CB ASN A 68 7.758 18.989 1.575 1.00 42.45 C ATOM 1007 CG ASN A 68 7.587 20.467 1.250 1.00 64.42 C ATOM 1008 OD1 ASN A 68 8.539 21.230 1.242 1.00 34.13 O ATOM 1009 ND2 ASN A 68 6.375 20.877 0.981 1.00 72.21 N ATOM 0 H ASN A 68 10.326 18.673 0.996 1.00 44.24 H new ATOM 0 HA ASN A 68 8.799 19.297 3.443 1.00 34.45 H new ATOM 0 HB2 ASN A 68 7.925 18.442 0.647 1.00 42.45 H new ATOM 0 HB3 ASN A 68 6.829 18.614 2.003 1.00 42.45 H new ATOM 0 HD21 ASN A 68 6.206 21.858 0.757 1.00 72.21 H new ATOM 0 HD22 ASN A 68 5.598 20.216 0.995 1.00 72.21 H new ATOM 1016 N GLY A 69 10.058 16.679 3.261 1.00 13.42 N ATOM 1017 CA GLY A 69 10.245 15.265 3.594 1.00 61.11 C ATOM 1018 C GLY A 69 9.202 14.690 4.515 1.00 63.43 C ATOM 1019 O GLY A 69 8.880 15.267 5.567 1.00 61.52 O ATOM 0 H GLY A 69 10.923 17.219 3.290 1.00 13.42 H new ATOM 0 HA2 GLY A 69 10.252 14.687 2.670 1.00 61.11 H new ATOM 0 HA3 GLY A 69 11.225 15.141 4.055 1.00 61.11 H new ATOM 1023 N THR A 70 8.699 13.576 4.124 1.00 34.33 N ATOM 1024 CA THR A 70 7.615 12.917 4.770 1.00 35.22 C ATOM 1025 C THR A 70 8.061 12.197 6.070 1.00 44.22 C ATOM 1026 O THR A 70 9.128 11.574 6.126 1.00 20.10 O ATOM 1027 CB THR A 70 7.040 11.913 3.776 1.00 34.32 C ATOM 1028 OG1 THR A 70 6.930 12.559 2.482 1.00 11.30 O ATOM 1029 CG2 THR A 70 5.677 11.451 4.216 1.00 40.14 C ATOM 0 H THR A 70 9.046 13.073 3.307 1.00 34.33 H new ATOM 0 HA THR A 70 6.867 13.651 5.068 1.00 35.22 H new ATOM 0 HB THR A 70 7.698 11.046 3.720 1.00 34.32 H new ATOM 0 HG1 THR A 70 7.772 12.455 1.992 1.00 11.30 H new ATOM 0 HG21 THR A 70 5.285 10.735 3.493 1.00 40.14 H new ATOM 0 HG22 THR A 70 5.752 10.975 5.194 1.00 40.14 H new ATOM 0 HG23 THR A 70 5.006 12.307 4.280 1.00 40.14 H new ATOM 1037 N THR A 71 7.261 12.315 7.100 1.00 34.24 N ATOM 1038 CA THR A 71 7.521 11.688 8.353 1.00 74.55 C ATOM 1039 C THR A 71 6.581 10.525 8.563 1.00 42.04 C ATOM 1040 O THR A 71 5.457 10.528 8.066 1.00 12.54 O ATOM 1041 CB THR A 71 7.355 12.680 9.523 1.00 50.54 C ATOM 1042 OG1 THR A 71 6.101 13.369 9.435 1.00 43.34 O ATOM 1043 CG2 THR A 71 8.476 13.670 9.559 1.00 62.03 C ATOM 0 H THR A 71 6.399 12.860 7.082 1.00 34.24 H new ATOM 0 HA THR A 71 8.552 11.335 8.333 1.00 74.55 H new ATOM 0 HB THR A 71 7.376 12.101 10.446 1.00 50.54 H new ATOM 0 HG1 THR A 71 6.016 13.991 10.187 1.00 43.34 H new ATOM 0 HG21 THR A 71 8.330 14.355 10.394 1.00 62.03 H new ATOM 0 HG22 THR A 71 9.422 13.144 9.683 1.00 62.03 H new ATOM 0 HG23 THR A 71 8.494 14.234 8.626 1.00 62.03 H new ATOM 1051 N VAL A 72 7.037 9.544 9.268 1.00 72.23 N ATOM 1052 CA VAL A 72 6.230 8.416 9.613 1.00 54.33 C ATOM 1053 C VAL A 72 6.035 8.426 11.117 1.00 51.55 C ATOM 1054 O VAL A 72 7.002 8.428 11.890 1.00 34.01 O ATOM 1055 CB VAL A 72 6.842 7.085 9.120 1.00 74.21 C ATOM 1056 CG1 VAL A 72 6.913 7.080 7.599 1.00 71.22 C ATOM 1057 CG2 VAL A 72 8.223 6.868 9.708 1.00 55.23 C ATOM 0 H VAL A 72 7.991 9.500 9.626 1.00 72.23 H new ATOM 0 HA VAL A 72 5.265 8.492 9.113 1.00 54.33 H new ATOM 0 HB VAL A 72 6.201 6.269 9.454 1.00 74.21 H new ATOM 0 HG11 VAL A 72 7.345 6.139 7.258 1.00 71.22 H new ATOM 0 HG12 VAL A 72 5.909 7.188 7.188 1.00 71.22 H new ATOM 0 HG13 VAL A 72 7.535 7.909 7.261 1.00 71.22 H new ATOM 0 HG21 VAL A 72 8.629 5.924 9.344 1.00 55.23 H new ATOM 0 HG22 VAL A 72 8.879 7.685 9.408 1.00 55.23 H new ATOM 0 HG23 VAL A 72 8.155 6.838 10.795 1.00 55.23 H new ATOM 1067 N ASN A 73 4.799 8.570 11.517 1.00 72.00 N ATOM 1068 CA ASN A 73 4.404 8.692 12.921 1.00 71.14 C ATOM 1069 C ASN A 73 5.027 9.942 13.528 1.00 63.35 C ATOM 1070 O ASN A 73 5.235 10.035 14.741 1.00 12.13 O ATOM 1071 CB ASN A 73 4.724 7.409 13.720 1.00 72.20 C ATOM 1072 CG ASN A 73 3.833 6.259 13.290 1.00 72.20 C ATOM 1073 OD1 ASN A 73 2.675 6.469 12.922 1.00 50.25 O ATOM 1074 ND2 ASN A 73 4.351 5.064 13.306 1.00 1.12 N ATOM 0 H ASN A 73 4.011 8.608 10.871 1.00 72.00 H new ATOM 0 HA ASN A 73 3.321 8.806 12.974 1.00 71.14 H new ATOM 0 HB2 ASN A 73 5.769 7.137 13.573 1.00 72.20 H new ATOM 0 HB3 ASN A 73 4.590 7.598 14.785 1.00 72.20 H new ATOM 0 HD21 ASN A 73 3.795 4.263 13.007 1.00 1.12 H new ATOM 0 HD22 ASN A 73 5.313 4.929 13.617 1.00 1.12 H new ATOM 1081 N ASN A 74 5.283 10.918 12.625 1.00 14.44 N ATOM 1082 CA ASN A 74 5.851 12.237 12.911 1.00 61.53 C ATOM 1083 C ASN A 74 7.379 12.151 13.157 1.00 33.31 C ATOM 1084 O ASN A 74 7.979 12.994 13.828 1.00 22.43 O ATOM 1085 CB ASN A 74 5.087 12.954 14.059 1.00 43.35 C ATOM 1086 CG ASN A 74 5.414 14.438 14.190 1.00 43.24 C ATOM 1087 OD1 ASN A 74 5.768 15.105 13.214 1.00 54.32 O ATOM 1088 ND2 ASN A 74 5.238 14.976 15.368 1.00 45.11 N ATOM 0 H ASN A 74 5.086 10.791 11.632 1.00 14.44 H new ATOM 0 HA ASN A 74 5.717 12.860 12.027 1.00 61.53 H new ATOM 0 HB2 ASN A 74 4.015 12.842 13.894 1.00 43.35 H new ATOM 0 HB3 ASN A 74 5.318 12.457 15.001 1.00 43.35 H new ATOM 0 HD21 ASN A 74 5.394 15.975 15.501 1.00 45.11 H new ATOM 0 HD22 ASN A 74 4.945 14.397 16.155 1.00 45.11 H new ATOM 1095 N ALA A 75 8.001 11.127 12.575 1.00 40.33 N ATOM 1096 CA ALA A 75 9.454 10.951 12.619 1.00 61.42 C ATOM 1097 C ALA A 75 10.011 10.892 11.187 1.00 21.13 C ATOM 1098 O ALA A 75 9.469 10.175 10.347 1.00 71.24 O ATOM 1099 CB ALA A 75 9.804 9.681 13.369 1.00 41.34 C ATOM 0 H ALA A 75 7.513 10.395 12.059 1.00 40.33 H new ATOM 0 HA ALA A 75 9.901 11.797 13.141 1.00 61.42 H new ATOM 0 HB1 ALA A 75 10.887 9.561 13.395 1.00 41.34 H new ATOM 0 HB2 ALA A 75 9.421 9.743 14.388 1.00 41.34 H new ATOM 0 HB3 ALA A 75 9.356 8.825 12.864 1.00 41.34 H new ATOM 1105 N PRO A 76 11.060 11.665 10.872 1.00 20.15 N ATOM 1106 CA PRO A 76 11.628 11.726 9.514 1.00 53.42 C ATOM 1107 C PRO A 76 12.435 10.477 9.135 1.00 4.30 C ATOM 1108 O PRO A 76 13.364 10.070 9.848 1.00 12.45 O ATOM 1109 CB PRO A 76 12.529 12.963 9.562 1.00 52.23 C ATOM 1110 CG PRO A 76 12.928 13.093 10.994 1.00 30.34 C ATOM 1111 CD PRO A 76 11.780 12.556 11.810 1.00 12.22 C ATOM 0 HA PRO A 76 10.846 11.777 8.756 1.00 53.42 H new ATOM 0 HB2 PRO A 76 13.401 12.842 8.919 1.00 52.23 H new ATOM 0 HB3 PRO A 76 11.999 13.851 9.217 1.00 52.23 H new ATOM 0 HG2 PRO A 76 13.841 12.533 11.194 1.00 30.34 H new ATOM 0 HG3 PRO A 76 13.130 14.134 11.247 1.00 30.34 H new ATOM 0 HD2 PRO A 76 12.133 12.012 12.686 1.00 12.22 H new ATOM 0 HD3 PRO A 76 11.137 13.359 12.171 1.00 12.22 H new ATOM 1119 N VAL A 77 12.073 9.875 8.016 1.00 41.44 N ATOM 1120 CA VAL A 77 12.736 8.683 7.502 1.00 44.42 C ATOM 1121 C VAL A 77 12.802 8.768 5.993 1.00 73.24 C ATOM 1122 O VAL A 77 12.157 9.624 5.390 1.00 53.54 O ATOM 1123 CB VAL A 77 11.986 7.366 7.870 1.00 74.33 C ATOM 1124 CG1 VAL A 77 11.938 7.127 9.376 1.00 41.35 C ATOM 1125 CG2 VAL A 77 10.589 7.369 7.274 1.00 23.24 C ATOM 0 H VAL A 77 11.304 10.201 7.431 1.00 41.44 H new ATOM 0 HA VAL A 77 13.726 8.650 7.956 1.00 44.42 H new ATOM 0 HB VAL A 77 12.550 6.539 7.440 1.00 74.33 H new ATOM 0 HG11 VAL A 77 11.406 6.198 9.580 1.00 41.35 H new ATOM 0 HG12 VAL A 77 12.953 7.056 9.766 1.00 41.35 H new ATOM 0 HG13 VAL A 77 11.421 7.956 9.860 1.00 41.35 H new ATOM 0 HG21 VAL A 77 10.078 6.443 7.540 1.00 23.24 H new ATOM 0 HG22 VAL A 77 10.028 8.218 7.665 1.00 23.24 H new ATOM 0 HG23 VAL A 77 10.657 7.448 6.189 1.00 23.24 H new ATOM 1135 N GLN A 78 13.599 7.923 5.400 1.00 31.35 N ATOM 1136 CA GLN A 78 13.672 7.812 3.970 1.00 33.01 C ATOM 1137 C GLN A 78 12.997 6.545 3.493 1.00 5.32 C ATOM 1138 O GLN A 78 12.436 6.503 2.400 1.00 2.33 O ATOM 1139 CB GLN A 78 15.110 7.894 3.535 1.00 15.50 C ATOM 1140 CG GLN A 78 15.687 9.262 3.795 1.00 11.03 C ATOM 1141 CD GLN A 78 15.050 10.309 2.908 1.00 22.01 C ATOM 1142 OE1 GLN A 78 15.538 10.601 1.819 1.00 3.34 O ATOM 1143 NE2 GLN A 78 13.945 10.843 3.338 1.00 40.43 N ATOM 0 H GLN A 78 14.221 7.287 5.900 1.00 31.35 H new ATOM 0 HA GLN A 78 13.133 8.641 3.511 1.00 33.01 H new ATOM 0 HB2 GLN A 78 15.696 7.144 4.066 1.00 15.50 H new ATOM 0 HB3 GLN A 78 15.184 7.662 2.472 1.00 15.50 H new ATOM 0 HG2 GLN A 78 15.536 9.529 4.841 1.00 11.03 H new ATOM 0 HG3 GLN A 78 16.763 9.243 3.623 1.00 11.03 H new ATOM 0 HE21 GLN A 78 13.570 10.576 4.248 1.00 40.43 H new ATOM 0 HE22 GLN A 78 13.453 11.529 2.765 1.00 40.43 H new ATOM 1152 N GLU A 79 13.031 5.529 4.325 1.00 42.40 N ATOM 1153 CA GLU A 79 12.359 4.287 4.048 1.00 32.41 C ATOM 1154 C GLU A 79 11.628 3.841 5.292 1.00 55.44 C ATOM 1155 O GLU A 79 12.083 4.115 6.412 1.00 4.40 O ATOM 1156 CB GLU A 79 13.330 3.194 3.586 1.00 34.02 C ATOM 1157 CG GLU A 79 14.494 2.950 4.528 1.00 51.42 C ATOM 1158 CD GLU A 79 15.218 1.671 4.230 1.00 15.42 C ATOM 1159 OE1 GLU A 79 15.788 1.525 3.132 1.00 33.21 O ATOM 1160 OE2 GLU A 79 15.247 0.782 5.114 1.00 64.41 O ATOM 0 H GLU A 79 13.528 5.544 5.215 1.00 42.40 H new ATOM 0 HA GLU A 79 11.656 4.453 3.232 1.00 32.41 H new ATOM 0 HB2 GLU A 79 12.777 2.263 3.462 1.00 34.02 H new ATOM 0 HB3 GLU A 79 13.722 3.464 2.606 1.00 34.02 H new ATOM 0 HG2 GLU A 79 15.193 3.783 4.459 1.00 51.42 H new ATOM 0 HG3 GLU A 79 14.127 2.925 5.554 1.00 51.42 H new ATOM 1167 N TRP A 80 10.507 3.202 5.114 1.00 75.04 N ATOM 1168 CA TRP A 80 9.718 2.712 6.218 1.00 41.25 C ATOM 1169 C TRP A 80 8.834 1.579 5.750 1.00 63.53 C ATOM 1170 O TRP A 80 8.451 1.523 4.587 1.00 23.22 O ATOM 1171 CB TRP A 80 8.872 3.866 6.812 1.00 54.33 C ATOM 1172 CG TRP A 80 8.032 3.517 7.999 1.00 12.22 C ATOM 1173 CD1 TRP A 80 6.698 3.242 8.010 1.00 32.34 C ATOM 1174 CD2 TRP A 80 8.464 3.441 9.345 1.00 50.04 C ATOM 1175 NE1 TRP A 80 6.280 2.996 9.286 1.00 32.53 N ATOM 1176 CE2 TRP A 80 7.342 3.116 10.126 1.00 71.34 C ATOM 1177 CE3 TRP A 80 9.693 3.616 9.969 1.00 3.22 C ATOM 1178 CZ2 TRP A 80 7.416 2.970 11.495 1.00 22.03 C ATOM 1179 CZ3 TRP A 80 9.760 3.470 11.326 1.00 0.34 C ATOM 1180 CH2 TRP A 80 8.630 3.152 12.077 1.00 15.42 C ATOM 0 H TRP A 80 10.109 3.003 4.196 1.00 75.04 H new ATOM 0 HA TRP A 80 10.378 2.334 6.999 1.00 41.25 H new ATOM 0 HB2 TRP A 80 9.545 4.676 7.093 1.00 54.33 H new ATOM 0 HB3 TRP A 80 8.218 4.251 6.029 1.00 54.33 H new ATOM 0 HD1 TRP A 80 6.063 3.222 7.136 1.00 32.34 H new ATOM 0 HE1 TRP A 80 5.327 2.761 9.564 1.00 32.53 H new ATOM 0 HE3 TRP A 80 10.574 3.862 9.395 1.00 3.22 H new ATOM 0 HZ2 TRP A 80 6.544 2.721 12.081 1.00 22.03 H new ATOM 0 HZ3 TRP A 80 10.708 3.604 11.826 1.00 0.34 H new ATOM 0 HH2 TRP A 80 8.722 3.048 13.148 1.00 15.42 H new ATOM 1191 N GLN A 81 8.564 0.672 6.622 1.00 71.02 N ATOM 1192 CA GLN A 81 7.652 -0.395 6.355 1.00 14.42 C ATOM 1193 C GLN A 81 6.309 -0.041 6.995 1.00 24.41 C ATOM 1194 O GLN A 81 6.168 -0.044 8.221 1.00 23.24 O ATOM 1195 CB GLN A 81 8.203 -1.780 6.832 1.00 24.54 C ATOM 1196 CG GLN A 81 8.410 -1.952 8.344 1.00 71.10 C ATOM 1197 CD GLN A 81 9.479 -1.047 8.951 1.00 54.13 C ATOM 1198 OE1 GLN A 81 10.461 -0.695 8.307 1.00 40.34 O ATOM 1199 NE2 GLN A 81 9.259 -0.623 10.163 1.00 4.11 N ATOM 0 H GLN A 81 8.974 0.646 7.556 1.00 71.02 H new ATOM 0 HA GLN A 81 7.519 -0.505 5.279 1.00 14.42 H new ATOM 0 HB2 GLN A 81 7.517 -2.556 6.491 1.00 24.54 H new ATOM 0 HB3 GLN A 81 9.157 -1.957 6.335 1.00 24.54 H new ATOM 0 HG2 GLN A 81 7.463 -1.762 8.850 1.00 71.10 H new ATOM 0 HG3 GLN A 81 8.676 -2.990 8.544 1.00 71.10 H new ATOM 0 HE21 GLN A 81 8.431 -0.936 10.671 1.00 4.11 H new ATOM 0 HE22 GLN A 81 9.914 0.022 10.604 1.00 4.11 H new ATOM 1208 N LEU A 82 5.355 0.345 6.166 1.00 23.15 N ATOM 1209 CA LEU A 82 4.035 0.784 6.646 1.00 4.35 C ATOM 1210 C LEU A 82 3.356 -0.282 7.501 1.00 73.01 C ATOM 1211 O LEU A 82 3.319 -1.472 7.137 1.00 50.40 O ATOM 1212 CB LEU A 82 3.107 1.114 5.470 1.00 70.51 C ATOM 1213 CG LEU A 82 3.569 2.203 4.508 1.00 22.12 C ATOM 1214 CD1 LEU A 82 2.560 2.385 3.386 1.00 11.42 C ATOM 1215 CD2 LEU A 82 3.760 3.502 5.244 1.00 11.40 C ATOM 0 H LEU A 82 5.460 0.367 5.152 1.00 23.15 H new ATOM 0 HA LEU A 82 4.209 1.673 7.252 1.00 4.35 H new ATOM 0 HB2 LEU A 82 2.949 0.201 4.897 1.00 70.51 H new ATOM 0 HB3 LEU A 82 2.139 1.408 5.875 1.00 70.51 H new ATOM 0 HG LEU A 82 4.522 1.898 4.075 1.00 22.12 H new ATOM 0 HD11 LEU A 82 2.906 3.166 2.709 1.00 11.42 H new ATOM 0 HD12 LEU A 82 2.454 1.449 2.837 1.00 11.42 H new ATOM 0 HD13 LEU A 82 1.596 2.670 3.807 1.00 11.42 H new ATOM 0 HD21 LEU A 82 4.090 4.271 4.545 1.00 11.40 H new ATOM 0 HD22 LEU A 82 2.817 3.805 5.698 1.00 11.40 H new ATOM 0 HD23 LEU A 82 4.512 3.372 6.022 1.00 11.40 H new ATOM 1227 N ALA A 83 2.877 0.126 8.634 1.00 41.21 N ATOM 1228 CA ALA A 83 2.109 -0.711 9.500 1.00 43.44 C ATOM 1229 C ALA A 83 0.760 -0.076 9.710 1.00 41.42 C ATOM 1230 O ALA A 83 0.573 1.115 9.415 1.00 3.13 O ATOM 1231 CB ALA A 83 2.811 -0.893 10.827 1.00 65.04 C ATOM 0 H ALA A 83 3.012 1.072 8.990 1.00 41.21 H new ATOM 0 HA ALA A 83 1.992 -1.694 9.045 1.00 43.44 H new ATOM 0 HB1 ALA A 83 2.210 -1.534 11.472 1.00 65.04 H new ATOM 0 HB2 ALA A 83 3.785 -1.355 10.663 1.00 65.04 H new ATOM 0 HB3 ALA A 83 2.945 0.078 11.304 1.00 65.04 H new ATOM 1237 N ASP A 84 -0.178 -0.849 10.187 1.00 63.34 N ATOM 1238 CA ASP A 84 -1.501 -0.340 10.465 1.00 12.11 C ATOM 1239 C ASP A 84 -1.437 0.665 11.605 1.00 71.21 C ATOM 1240 O ASP A 84 -0.893 0.377 12.682 1.00 74.32 O ATOM 1241 CB ASP A 84 -2.462 -1.477 10.807 1.00 44.11 C ATOM 1242 CG ASP A 84 -3.852 -0.985 11.125 1.00 75.51 C ATOM 1243 OD1 ASP A 84 -4.653 -0.831 10.198 1.00 2.23 O ATOM 1244 OD2 ASP A 84 -4.161 -0.759 12.310 1.00 24.14 O ATOM 0 H ASP A 84 -0.053 -1.840 10.393 1.00 63.34 H new ATOM 0 HA ASP A 84 -1.877 0.159 9.572 1.00 12.11 H new ATOM 0 HB2 ASP A 84 -2.509 -2.172 9.969 1.00 44.11 H new ATOM 0 HB3 ASP A 84 -2.073 -2.032 11.660 1.00 44.11 H new ATOM 1249 N GLY A 85 -1.911 1.849 11.347 1.00 21.04 N ATOM 1250 CA GLY A 85 -1.931 2.874 12.341 1.00 42.34 C ATOM 1251 C GLY A 85 -0.872 3.925 12.108 1.00 64.13 C ATOM 1252 O GLY A 85 -0.874 4.960 12.780 1.00 50.13 O ATOM 0 H GLY A 85 -2.293 2.128 10.443 1.00 21.04 H new ATOM 0 HA2 GLY A 85 -2.913 3.348 12.350 1.00 42.34 H new ATOM 0 HA3 GLY A 85 -1.784 2.426 13.324 1.00 42.34 H new ATOM 1256 N ASP A 86 0.028 3.680 11.155 1.00 64.02 N ATOM 1257 CA ASP A 86 1.106 4.634 10.883 1.00 71.13 C ATOM 1258 C ASP A 86 0.578 5.888 10.249 1.00 63.02 C ATOM 1259 O ASP A 86 -0.244 5.836 9.320 1.00 65.34 O ATOM 1260 CB ASP A 86 2.235 4.060 10.011 1.00 31.53 C ATOM 1261 CG ASP A 86 3.114 3.051 10.709 1.00 71.32 C ATOM 1262 OD1 ASP A 86 3.148 3.011 11.962 1.00 23.33 O ATOM 1263 OD2 ASP A 86 3.784 2.270 10.018 1.00 35.10 O ATOM 0 H ASP A 86 0.035 2.846 10.568 1.00 64.02 H new ATOM 0 HA ASP A 86 1.535 4.863 11.858 1.00 71.13 H new ATOM 0 HB2 ASP A 86 1.795 3.592 9.131 1.00 31.53 H new ATOM 0 HB3 ASP A 86 2.857 4.882 9.657 1.00 31.53 H new ATOM 1268 N VAL A 87 1.018 7.005 10.760 1.00 62.42 N ATOM 1269 CA VAL A 87 0.623 8.286 10.242 1.00 45.52 C ATOM 1270 C VAL A 87 1.757 8.851 9.416 1.00 33.20 C ATOM 1271 O VAL A 87 2.815 9.169 9.927 1.00 33.50 O ATOM 1272 CB VAL A 87 0.263 9.295 11.361 1.00 4.20 C ATOM 1273 CG1 VAL A 87 -0.291 10.583 10.761 1.00 71.03 C ATOM 1274 CG2 VAL A 87 -0.730 8.688 12.345 1.00 74.24 C ATOM 0 H VAL A 87 1.662 7.053 11.549 1.00 62.42 H new ATOM 0 HA VAL A 87 -0.271 8.135 9.637 1.00 45.52 H new ATOM 0 HB VAL A 87 1.175 9.534 11.909 1.00 4.20 H new ATOM 0 HG11 VAL A 87 -0.539 11.280 11.561 1.00 71.03 H new ATOM 0 HG12 VAL A 87 0.457 11.031 10.108 1.00 71.03 H new ATOM 0 HG13 VAL A 87 -1.189 10.359 10.184 1.00 71.03 H new ATOM 0 HG21 VAL A 87 -0.966 9.417 13.120 1.00 74.24 H new ATOM 0 HG22 VAL A 87 -1.643 8.412 11.817 1.00 74.24 H new ATOM 0 HG23 VAL A 87 -0.293 7.801 12.802 1.00 74.24 H new ATOM 1284 N ILE A 88 1.532 8.964 8.172 1.00 75.23 N ATOM 1285 CA ILE A 88 2.493 9.472 7.254 1.00 53.40 C ATOM 1286 C ILE A 88 2.181 10.960 7.054 1.00 22.43 C ATOM 1287 O ILE A 88 1.075 11.322 6.661 1.00 4.52 O ATOM 1288 CB ILE A 88 2.443 8.656 5.897 1.00 43.13 C ATOM 1289 CG1 ILE A 88 3.192 7.298 5.999 1.00 42.21 C ATOM 1290 CG2 ILE A 88 2.975 9.448 4.720 1.00 11.30 C ATOM 1291 CD1 ILE A 88 2.674 6.322 7.040 1.00 13.10 C ATOM 0 H ILE A 88 0.648 8.700 7.737 1.00 75.23 H new ATOM 0 HA ILE A 88 3.508 9.362 7.635 1.00 53.40 H new ATOM 0 HB ILE A 88 1.386 8.456 5.719 1.00 43.13 H new ATOM 0 HG12 ILE A 88 3.153 6.812 5.024 1.00 42.21 H new ATOM 0 HG13 ILE A 88 4.241 7.501 6.212 1.00 42.21 H new ATOM 0 HG21 ILE A 88 2.917 8.841 3.817 1.00 11.30 H new ATOM 0 HG22 ILE A 88 2.378 10.351 4.589 1.00 11.30 H new ATOM 0 HG23 ILE A 88 4.013 9.723 4.906 1.00 11.30 H new ATOM 0 HD11 ILE A 88 3.275 5.413 7.017 1.00 13.10 H new ATOM 0 HD12 ILE A 88 2.740 6.776 8.029 1.00 13.10 H new ATOM 0 HD13 ILE A 88 1.635 6.076 6.822 1.00 13.10 H new ATOM 1303 N ARG A 89 3.111 11.807 7.402 1.00 61.41 N ATOM 1304 CA ARG A 89 2.897 13.233 7.327 1.00 3.00 C ATOM 1305 C ARG A 89 3.853 13.890 6.387 1.00 25.23 C ATOM 1306 O ARG A 89 5.056 13.714 6.476 1.00 52.44 O ATOM 1307 CB ARG A 89 3.060 13.908 8.681 1.00 40.32 C ATOM 1308 CG ARG A 89 2.088 13.501 9.760 1.00 11.13 C ATOM 1309 CD ARG A 89 2.264 14.422 10.958 1.00 62.54 C ATOM 1310 NE ARG A 89 2.070 15.826 10.551 1.00 13.21 N ATOM 1311 CZ ARG A 89 2.694 16.899 11.054 1.00 44.34 C ATOM 1312 NH1 ARG A 89 3.582 16.781 12.044 1.00 21.34 N ATOM 1313 NH2 ARG A 89 2.433 18.088 10.533 1.00 23.12 N ATOM 0 H ARG A 89 4.033 11.535 7.743 1.00 61.41 H new ATOM 0 HA ARG A 89 1.874 13.352 6.970 1.00 3.00 H new ATOM 0 HB2 ARG A 89 4.070 13.711 9.040 1.00 40.32 H new ATOM 0 HB3 ARG A 89 2.977 14.985 8.537 1.00 40.32 H new ATOM 0 HG2 ARG A 89 1.065 13.559 9.387 1.00 11.13 H new ATOM 0 HG3 ARG A 89 2.262 12.465 10.052 1.00 11.13 H new ATOM 0 HD2 ARG A 89 1.548 14.159 11.737 1.00 62.54 H new ATOM 0 HD3 ARG A 89 3.259 14.293 11.383 1.00 62.54 H new ATOM 0 HE ARG A 89 1.390 15.998 9.810 1.00 13.21 H new ATOM 0 HH11 ARG A 89 3.796 15.862 12.431 1.00 21.34 H new ATOM 0 HH12 ARG A 89 4.047 17.610 12.414 1.00 21.34 H new ATOM 0 HH21 ARG A 89 1.768 18.173 9.764 1.00 23.12 H new ATOM 0 HH22 ARG A 89 2.897 18.919 10.901 1.00 23.12 H new ATOM 1327 N LEU A 90 3.323 14.657 5.534 1.00 71.23 N ATOM 1328 CA LEU A 90 4.065 15.487 4.644 1.00 51.23 C ATOM 1329 C LEU A 90 3.562 16.888 4.858 1.00 22.54 C ATOM 1330 O LEU A 90 2.560 17.054 5.572 1.00 13.42 O ATOM 1331 CB LEU A 90 3.986 15.063 3.159 1.00 64.21 C ATOM 1332 CG LEU A 90 2.603 14.920 2.517 1.00 74.25 C ATOM 1333 CD1 LEU A 90 2.731 15.043 1.018 1.00 35.20 C ATOM 1334 CD2 LEU A 90 1.990 13.560 2.850 1.00 72.12 C ATOM 0 H LEU A 90 2.313 14.740 5.417 1.00 71.23 H new ATOM 0 HA LEU A 90 5.127 15.399 4.871 1.00 51.23 H new ATOM 0 HB2 LEU A 90 4.550 15.791 2.575 1.00 64.21 H new ATOM 0 HB3 LEU A 90 4.500 14.107 3.059 1.00 64.21 H new ATOM 0 HG LEU A 90 1.958 15.706 2.909 1.00 74.25 H new ATOM 0 HD11 LEU A 90 1.747 14.941 0.559 1.00 35.20 H new ATOM 0 HD12 LEU A 90 3.149 16.018 0.767 1.00 35.20 H new ATOM 0 HD13 LEU A 90 3.389 14.259 0.643 1.00 35.20 H new ATOM 0 HD21 LEU A 90 1.008 13.480 2.384 1.00 72.12 H new ATOM 0 HD22 LEU A 90 2.636 12.767 2.473 1.00 72.12 H new ATOM 0 HD23 LEU A 90 1.888 13.462 3.931 1.00 72.12 H new ATOM 1346 N GLY A 91 4.293 17.878 4.379 1.00 51.23 N ATOM 1347 CA GLY A 91 3.897 19.280 4.538 1.00 71.45 C ATOM 1348 C GLY A 91 2.409 19.516 4.280 1.00 23.02 C ATOM 1349 O GLY A 91 1.936 19.343 3.153 1.00 24.32 O ATOM 0 H GLY A 91 5.169 17.744 3.874 1.00 51.23 H new ATOM 0 HA2 GLY A 91 4.141 19.608 5.549 1.00 71.45 H new ATOM 0 HA3 GLY A 91 4.480 19.896 3.854 1.00 71.45 H new ATOM 1353 N HIS A 92 1.676 19.788 5.367 1.00 31.33 N ATOM 1354 CA HIS A 92 0.229 20.080 5.386 1.00 22.53 C ATOM 1355 C HIS A 92 -0.645 18.819 5.252 1.00 11.11 C ATOM 1356 O HIS A 92 -1.667 18.705 5.910 1.00 33.12 O ATOM 1357 CB HIS A 92 -0.175 21.179 4.361 1.00 2.01 C ATOM 1358 CG HIS A 92 -1.657 21.498 4.323 1.00 2.14 C ATOM 1359 ND1 HIS A 92 -2.423 21.456 3.176 1.00 61.42 N ATOM 1360 CD2 HIS A 92 -2.496 21.880 5.317 1.00 20.53 C ATOM 1361 CE1 HIS A 92 -3.675 21.800 3.496 1.00 14.52 C ATOM 1362 NE2 HIS A 92 -3.774 22.070 4.794 1.00 55.14 N ATOM 0 H HIS A 92 2.089 19.813 6.299 1.00 31.33 H new ATOM 0 HA HIS A 92 0.029 20.486 6.378 1.00 22.53 H new ATOM 0 HB2 HIS A 92 0.373 22.092 4.593 1.00 2.01 H new ATOM 0 HB3 HIS A 92 0.140 20.862 3.367 1.00 2.01 H new ATOM 0 HD1 HIS A 92 -2.091 21.206 2.244 1.00 61.42 H new ATOM 0 HD2 HIS A 92 -2.218 22.016 6.352 1.00 20.53 H new ATOM 0 HE1 HIS A 92 -4.495 21.852 2.795 1.00 14.52 H new ATOM 1370 N SER A 93 -0.214 17.865 4.482 1.00 43.11 N ATOM 1371 CA SER A 93 -1.036 16.707 4.221 1.00 44.33 C ATOM 1372 C SER A 93 -0.613 15.527 5.091 1.00 55.31 C ATOM 1373 O SER A 93 0.567 15.206 5.193 1.00 35.42 O ATOM 1374 CB SER A 93 -0.969 16.351 2.737 1.00 12.14 C ATOM 1375 OG SER A 93 -1.291 17.491 1.942 1.00 23.33 O ATOM 0 H SER A 93 0.697 17.859 4.023 1.00 43.11 H new ATOM 0 HA SER A 93 -2.069 16.944 4.477 1.00 44.33 H new ATOM 0 HB2 SER A 93 0.030 15.994 2.486 1.00 12.14 H new ATOM 0 HB3 SER A 93 -1.662 15.539 2.519 1.00 12.14 H new ATOM 0 HG SER A 93 -1.243 17.252 0.993 1.00 23.33 H new ATOM 1381 N GLU A 94 -1.552 14.919 5.737 1.00 21.24 N ATOM 1382 CA GLU A 94 -1.285 13.771 6.546 1.00 63.33 C ATOM 1383 C GLU A 94 -2.181 12.618 6.163 1.00 1.42 C ATOM 1384 O GLU A 94 -3.292 12.814 5.683 1.00 14.34 O ATOM 1385 CB GLU A 94 -1.271 14.110 8.056 1.00 15.41 C ATOM 1386 CG GLU A 94 -2.404 15.005 8.572 1.00 61.22 C ATOM 1387 CD GLU A 94 -3.765 14.355 8.611 1.00 41.45 C ATOM 1388 OE1 GLU A 94 -4.065 13.630 9.580 1.00 1.10 O ATOM 1389 OE2 GLU A 94 -4.585 14.621 7.717 1.00 22.33 O ATOM 0 H GLU A 94 -2.531 15.204 5.720 1.00 21.24 H new ATOM 0 HA GLU A 94 -0.270 13.431 6.341 1.00 63.33 H new ATOM 0 HB2 GLU A 94 -1.295 13.174 8.615 1.00 15.41 H new ATOM 0 HB3 GLU A 94 -0.322 14.595 8.287 1.00 15.41 H new ATOM 0 HG2 GLU A 94 -2.151 15.342 9.577 1.00 61.22 H new ATOM 0 HG3 GLU A 94 -2.460 15.893 7.942 1.00 61.22 H new ATOM 1396 N ILE A 95 -1.669 11.443 6.299 1.00 40.31 N ATOM 1397 CA ILE A 95 -2.349 10.256 5.897 1.00 11.31 C ATOM 1398 C ILE A 95 -2.162 9.147 6.925 1.00 73.11 C ATOM 1399 O ILE A 95 -1.082 8.976 7.470 1.00 50.31 O ATOM 1400 CB ILE A 95 -1.938 9.852 4.403 1.00 31.10 C ATOM 1401 CG1 ILE A 95 -2.203 8.375 4.025 1.00 1.32 C ATOM 1402 CG2 ILE A 95 -0.515 10.262 4.048 1.00 65.40 C ATOM 1403 CD1 ILE A 95 -1.180 7.364 4.548 1.00 53.32 C ATOM 0 H ILE A 95 -0.747 11.275 6.701 1.00 40.31 H new ATOM 0 HA ILE A 95 -3.423 10.441 5.867 1.00 11.31 H new ATOM 0 HB ILE A 95 -2.622 10.437 3.788 1.00 31.10 H new ATOM 0 HG12 ILE A 95 -3.188 8.094 4.398 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -2.240 8.298 2.938 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -0.295 9.962 3.024 1.00 65.40 H new ATOM 0 HG22 ILE A 95 -0.415 11.344 4.138 1.00 65.40 H new ATOM 0 HG23 ILE A 95 0.184 9.775 4.727 1.00 65.40 H new ATOM 0 HD11 ILE A 95 -1.461 6.362 4.226 1.00 53.32 H new ATOM 0 HD12 ILE A 95 -0.193 7.608 4.154 1.00 53.32 H new ATOM 0 HD13 ILE A 95 -1.156 7.401 5.637 1.00 53.32 H new ATOM 1415 N ILE A 96 -3.225 8.435 7.210 1.00 0.01 N ATOM 1416 CA ILE A 96 -3.184 7.338 8.157 1.00 31.42 C ATOM 1417 C ILE A 96 -3.295 6.021 7.384 1.00 24.54 C ATOM 1418 O ILE A 96 -4.210 5.850 6.576 1.00 4.42 O ATOM 1419 CB ILE A 96 -4.332 7.410 9.250 1.00 70.33 C ATOM 1420 CG1 ILE A 96 -4.239 8.679 10.146 1.00 0.13 C ATOM 1421 CG2 ILE A 96 -4.325 6.163 10.137 1.00 64.31 C ATOM 1422 CD1 ILE A 96 -4.623 9.990 9.478 1.00 33.40 C ATOM 0 H ILE A 96 -4.143 8.596 6.795 1.00 0.01 H new ATOM 0 HA ILE A 96 -2.239 7.405 8.695 1.00 31.42 H new ATOM 0 HB ILE A 96 -5.269 7.463 8.695 1.00 70.33 H new ATOM 0 HG12 ILE A 96 -4.880 8.535 11.016 1.00 0.13 H new ATOM 0 HG13 ILE A 96 -3.217 8.766 10.515 1.00 0.13 H new ATOM 0 HG21 ILE A 96 -5.122 6.239 10.877 1.00 64.31 H new ATOM 0 HG22 ILE A 96 -4.484 5.278 9.521 1.00 64.31 H new ATOM 0 HG23 ILE A 96 -3.364 6.083 10.645 1.00 64.31 H new ATOM 0 HD11 ILE A 96 -4.521 10.806 10.193 1.00 33.40 H new ATOM 0 HD12 ILE A 96 -3.967 10.170 8.626 1.00 33.40 H new ATOM 0 HD13 ILE A 96 -5.656 9.935 9.135 1.00 33.40 H new ATOM 1434 N VAL A 97 -2.357 5.131 7.595 1.00 70.13 N ATOM 1435 CA VAL A 97 -2.354 3.843 6.936 1.00 1.13 C ATOM 1436 C VAL A 97 -3.160 2.830 7.728 1.00 74.21 C ATOM 1437 O VAL A 97 -2.886 2.584 8.897 1.00 51.03 O ATOM 1438 CB VAL A 97 -0.907 3.310 6.731 1.00 75.33 C ATOM 1439 CG1 VAL A 97 -0.915 1.879 6.215 1.00 35.41 C ATOM 1440 CG2 VAL A 97 -0.172 4.188 5.751 1.00 71.11 C ATOM 0 H VAL A 97 -1.572 5.277 8.229 1.00 70.13 H new ATOM 0 HA VAL A 97 -2.813 3.982 5.957 1.00 1.13 H new ATOM 0 HB VAL A 97 -0.403 3.327 7.697 1.00 75.33 H new ATOM 0 HG11 VAL A 97 0.111 1.535 6.082 1.00 35.41 H new ATOM 0 HG12 VAL A 97 -1.423 1.236 6.934 1.00 35.41 H new ATOM 0 HG13 VAL A 97 -1.438 1.840 5.259 1.00 35.41 H new ATOM 0 HG21 VAL A 97 0.841 3.809 5.612 1.00 71.11 H new ATOM 0 HG22 VAL A 97 -0.696 4.184 4.795 1.00 71.11 H new ATOM 0 HG23 VAL A 97 -0.129 5.207 6.136 1.00 71.11 H new ATOM 1450 N ARG A 98 -4.154 2.275 7.107 1.00 13.35 N ATOM 1451 CA ARG A 98 -4.933 1.232 7.703 1.00 72.14 C ATOM 1452 C ARG A 98 -4.871 0.003 6.847 1.00 15.22 C ATOM 1453 O ARG A 98 -4.799 0.091 5.623 1.00 60.31 O ATOM 1454 CB ARG A 98 -6.380 1.664 7.941 1.00 41.21 C ATOM 1455 CG ARG A 98 -6.578 2.606 9.122 1.00 1.13 C ATOM 1456 CD ARG A 98 -6.172 1.926 10.419 1.00 11.03 C ATOM 1457 NE ARG A 98 -6.493 2.709 11.616 1.00 50.53 N ATOM 1458 CZ ARG A 98 -6.626 2.171 12.840 1.00 23.42 C ATOM 1459 NH1 ARG A 98 -6.388 0.876 13.026 1.00 22.41 N ATOM 1460 NH2 ARG A 98 -6.951 2.931 13.874 1.00 65.31 N ATOM 0 H ARG A 98 -4.451 2.534 6.166 1.00 13.35 H new ATOM 0 HA ARG A 98 -4.508 1.007 8.681 1.00 72.14 H new ATOM 0 HB2 ARG A 98 -6.752 2.151 7.039 1.00 41.21 H new ATOM 0 HB3 ARG A 98 -6.989 0.774 8.098 1.00 41.21 H new ATOM 0 HG2 ARG A 98 -5.986 3.510 8.977 1.00 1.13 H new ATOM 0 HG3 ARG A 98 -7.622 2.915 9.178 1.00 1.13 H new ATOM 0 HD2 ARG A 98 -6.669 0.958 10.484 1.00 11.03 H new ATOM 0 HD3 ARG A 98 -5.100 1.732 10.398 1.00 11.03 H new ATOM 0 HE ARG A 98 -6.622 3.716 11.514 1.00 50.53 H new ATOM 0 HH11 ARG A 98 -6.105 0.291 12.240 1.00 22.41 H new ATOM 0 HH12 ARG A 98 -6.489 0.467 13.955 1.00 22.41 H new ATOM 0 HH21 ARG A 98 -7.102 3.931 13.744 1.00 65.31 H new ATOM 0 HH22 ARG A 98 -7.050 2.516 14.801 1.00 65.31 H new ATOM 1474 N MET A 99 -4.836 -1.122 7.474 1.00 2.14 N ATOM 1475 CA MET A 99 -4.784 -2.370 6.780 1.00 31.10 C ATOM 1476 C MET A 99 -5.985 -3.190 7.117 1.00 2.24 C ATOM 1477 O MET A 99 -6.455 -3.177 8.253 1.00 65.22 O ATOM 1478 CB MET A 99 -3.504 -3.143 7.101 1.00 43.35 C ATOM 1479 CG MET A 99 -2.244 -2.469 6.609 1.00 1.51 C ATOM 1480 SD MET A 99 -0.764 -3.441 6.934 1.00 53.10 S ATOM 1481 CE MET A 99 0.472 -2.412 6.154 1.00 63.42 C ATOM 0 H MET A 99 -4.843 -1.206 8.490 1.00 2.14 H new ATOM 0 HA MET A 99 -4.779 -2.159 5.711 1.00 31.10 H new ATOM 0 HB2 MET A 99 -3.434 -3.279 8.180 1.00 43.35 H new ATOM 0 HB3 MET A 99 -3.570 -4.137 6.658 1.00 43.35 H new ATOM 0 HG2 MET A 99 -2.328 -2.289 5.537 1.00 1.51 H new ATOM 0 HG3 MET A 99 -2.147 -1.495 7.089 1.00 1.51 H new ATOM 0 HE1 MET A 99 1.326 -3.024 5.866 1.00 63.42 H new ATOM 0 HE2 MET A 99 0.047 -1.942 5.267 1.00 63.42 H new ATOM 0 HE3 MET A 99 0.797 -1.641 6.853 1.00 63.42 H new ATOM 1491 N HIS A 100 -6.509 -3.843 6.139 1.00 21.24 N ATOM 1492 CA HIS A 100 -7.622 -4.716 6.314 1.00 54.35 C ATOM 1493 C HIS A 100 -7.156 -6.119 6.024 1.00 63.40 C ATOM 1494 O HIS A 100 -6.769 -6.831 6.971 1.00 0.24 O ATOM 1495 CB HIS A 100 -8.803 -4.321 5.406 1.00 63.31 C ATOM 1496 CG HIS A 100 -9.313 -2.917 5.622 1.00 14.10 C ATOM 1497 ND1 HIS A 100 -10.231 -2.566 6.590 1.00 62.35 N ATOM 1498 CD2 HIS A 100 -9.009 -1.764 4.968 1.00 53.11 C ATOM 1499 CE1 HIS A 100 -10.453 -1.252 6.497 1.00 14.11 C ATOM 1500 NE2 HIS A 100 -9.734 -0.712 5.527 1.00 41.22 N ATOM 1501 OXT HIS A 100 -7.084 -6.509 4.835 1.00 38.35 O ATOM 0 H HIS A 100 -6.172 -3.786 5.178 1.00 21.24 H new ATOM 0 HA HIS A 100 -7.989 -4.645 7.338 1.00 54.35 H new ATOM 0 HB2 HIS A 100 -8.497 -4.427 4.365 1.00 63.31 H new ATOM 0 HB3 HIS A 100 -9.622 -5.021 5.570 1.00 63.31 H new ATOM 0 HD2 HIS A 100 -8.315 -1.677 4.145 1.00 53.11 H new ATOM 0 HE1 HIS A 100 -11.132 -0.702 7.132 1.00 14.11 H new ATOM 0 HE2 HIS A 100 -9.714 0.268 5.247 1.00 41.22 H new