USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 880 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 12 GLN : amide:sc= 0.0241 K(o=2.5,f=1.1!) USER MOD Set 1.2: A 44 TYR OH : rot -15:sc= 1.09 USER MOD Set 1.3: A 104 TYR OH : rot -154:sc= 1.36 USER MOD Single : A 11 THR OG1 : rot 134:sc= 1.24 USER MOD Single : A 14 SER OG : rot 100:sc= 0.528 USER MOD Single : A 18 THR OG1 : rot 88:sc= 0.735 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0241) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -171:sc= 0.962 USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.132 (180deg=-0.538) USER MOD Single : A 40 GLN : amide:sc= -0.967 X(o=-0.97,f=-0.95) USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 1.03 (180deg=-0.185) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 2.03 (180deg=1.07) USER MOD Single : A 49 SER OG : rot 31:sc= 0.199 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -1.22 (180deg=-2.16!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0861 F(o=-0.74,f=-0.086) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.823 (180deg=-1.54) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.88 F(o=-5.3!,f=-1.9) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 0.904 (180deg=0.59) USER MOD Single : A 77 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= 0.507 (180deg=0.182) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot -144:sc= 0.0953 USER MOD Single : A 94 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 98 ASN : amide:sc= 0.471 K(o=0.47,f=-0.23) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0.626 (180deg=0.601) USER MOD Single : A 102 SER OG : rot 62:sc= 1.24 USER MOD Single : A 105 THR OG1 : rot -108:sc= 0.792 USER MOD Single : A 107 MET CE :methyl 167:sc= -0.562 (180deg=-0.752) USER MOD Single : A 110 GLN : amide:sc= -1.71 K(o=-1.7,f=-6.7!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N ALA A 7 -11.132 6.765 -7.591 1.00 0.00 N ATOM 70 CA ALA A 7 -11.699 5.447 -7.705 1.00 0.00 C ATOM 71 C ALA A 7 -12.768 5.252 -6.672 1.00 0.00 C ATOM 72 O ALA A 7 -12.813 5.948 -5.650 1.00 0.00 O ATOM 73 CB ALA A 7 -10.680 4.356 -7.607 1.00 0.00 C ATOM 0 HA ALA A 7 -12.132 5.379 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.173 3.388 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.948 4.469 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.176 4.415 -6.642 1.00 0.00 H new ATOM 79 N ASP A 8 -13.670 4.374 -6.939 1.00 0.00 N ATOM 80 CA ASP A 8 -14.630 4.046 -5.941 1.00 0.00 C ATOM 81 C ASP A 8 -14.076 3.035 -5.054 1.00 0.00 C ATOM 82 O ASP A 8 -13.203 2.299 -5.444 1.00 0.00 O ATOM 83 CB ASP A 8 -15.992 3.635 -6.477 1.00 0.00 C ATOM 84 CG ASP A 8 -15.992 2.401 -7.310 1.00 0.00 C ATOM 85 OD1 ASP A 8 -15.809 2.511 -8.534 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.167 1.302 -6.776 1.00 0.00 O ATOM 0 H ASP A 8 -13.765 3.876 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.829 4.963 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.668 3.487 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.396 4.456 -7.070 1.00 0.00 H new ATOM 91 N LEU A 9 -14.560 3.026 -3.863 1.00 0.00 N ATOM 92 CA LEU A 9 -14.159 2.144 -2.799 1.00 0.00 C ATOM 93 C LEU A 9 -14.089 0.732 -3.242 1.00 0.00 C ATOM 94 O LEU A 9 -13.112 0.019 -3.024 1.00 0.00 O ATOM 95 CB LEU A 9 -15.226 2.263 -1.772 1.00 0.00 C ATOM 96 CG LEU A 9 -15.131 3.412 -0.820 1.00 0.00 C ATOM 97 CD1 LEU A 9 -14.019 3.126 0.087 1.00 0.00 C ATOM 98 CD2 LEU A 9 -14.907 4.775 -1.480 1.00 0.00 C ATOM 0 H LEU A 9 -15.295 3.673 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.168 2.416 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.185 2.329 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.239 1.342 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.091 3.496 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.913 3.942 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.216 2.198 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.098 3.025 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.851 5.546 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.975 4.757 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.735 4.993 -2.154 1.00 0.00 H new ATOM 110 N ASP A 10 -15.091 0.376 -3.913 1.00 0.00 N ATOM 111 CA ASP A 10 -15.229 -0.994 -4.400 1.00 0.00 C ATOM 112 C ASP A 10 -14.187 -1.282 -5.454 1.00 0.00 C ATOM 113 O ASP A 10 -13.608 -2.364 -5.488 1.00 0.00 O ATOM 114 CB ASP A 10 -16.626 -1.304 -4.916 1.00 0.00 C ATOM 115 CG ASP A 10 -16.718 -2.698 -5.507 1.00 0.00 C ATOM 116 OD1 ASP A 10 -16.625 -3.689 -4.754 1.00 0.00 O ATOM 117 OD2 ASP A 10 -16.888 -2.827 -6.738 1.00 0.00 O ATOM 0 H ASP A 10 -15.862 0.995 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.067 -1.653 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.343 -1.208 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.904 -0.570 -5.673 1.00 0.00 H new ATOM 122 N THR A 11 -13.907 -0.285 -6.254 1.00 0.00 N ATOM 123 CA THR A 11 -12.923 -0.350 -7.241 1.00 0.00 C ATOM 124 C THR A 11 -11.540 -0.440 -6.607 1.00 0.00 C ATOM 125 O THR A 11 -10.785 -1.333 -6.929 1.00 0.00 O ATOM 126 CB THR A 11 -13.043 0.885 -8.148 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.054 0.710 -9.135 1.00 0.00 O ATOM 128 CG2 THR A 11 -11.744 1.303 -8.759 1.00 0.00 C ATOM 0 H THR A 11 -14.388 0.614 -6.214 1.00 0.00 H new ATOM 0 HA THR A 11 -13.064 -1.246 -7.845 1.00 0.00 H new ATOM 0 HB THR A 11 -13.344 1.707 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.617 1.512 -9.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.903 2.180 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.032 1.545 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.349 0.489 -9.367 1.00 0.00 H new ATOM 136 N GLN A 12 -11.267 0.463 -5.669 1.00 0.00 N ATOM 137 CA GLN A 12 -9.974 0.577 -5.023 1.00 0.00 C ATOM 138 C GLN A 12 -9.494 -0.781 -4.486 1.00 0.00 C ATOM 139 O GLN A 12 -8.396 -1.210 -4.822 1.00 0.00 O ATOM 140 CB GLN A 12 -10.014 1.614 -3.900 1.00 0.00 C ATOM 141 CG GLN A 12 -10.469 3.020 -4.307 1.00 0.00 C ATOM 142 CD GLN A 12 -10.562 3.969 -3.127 1.00 0.00 C ATOM 143 OE1 GLN A 12 -10.818 3.558 -2.005 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.380 5.236 -3.363 1.00 0.00 N ATOM 0 H GLN A 12 -11.951 1.143 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.260 0.912 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.680 1.249 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.018 1.687 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.772 3.425 -5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.442 2.956 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.167 5.553 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.450 5.912 -2.602 1.00 0.00 H new ATOM 153 N ARG A 13 -10.343 -1.458 -3.669 1.00 0.00 N ATOM 154 CA ARG A 13 -10.037 -2.812 -3.135 1.00 0.00 C ATOM 155 C ARG A 13 -9.571 -3.733 -4.246 1.00 0.00 C ATOM 156 O ARG A 13 -8.462 -4.238 -4.247 1.00 0.00 O ATOM 157 CB ARG A 13 -11.294 -3.508 -2.602 1.00 0.00 C ATOM 158 CG ARG A 13 -12.193 -2.715 -1.726 1.00 0.00 C ATOM 159 CD ARG A 13 -13.375 -3.551 -1.291 1.00 0.00 C ATOM 160 NE ARG A 13 -14.132 -4.059 -2.437 1.00 0.00 N ATOM 161 CZ ARG A 13 -14.454 -5.340 -2.643 1.00 0.00 C ATOM 162 NH1 ARG A 13 -14.142 -6.276 -1.740 1.00 0.00 N ATOM 163 NH2 ARG A 13 -15.120 -5.670 -3.724 1.00 0.00 N ATOM 0 H ARG A 13 -11.244 -1.089 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.288 -2.654 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.875 -3.854 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.980 -4.394 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.644 -2.366 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.541 -1.830 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.026 -4.388 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.031 -2.952 -0.659 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.438 -3.381 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.653 -6.015 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.393 -7.250 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.387 -4.952 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.371 -6.645 -3.891 1.00 0.00 H new ATOM 177 N SER A 14 -10.450 -3.891 -5.186 1.00 0.00 N ATOM 178 CA SER A 14 -10.363 -4.825 -6.258 1.00 0.00 C ATOM 179 C SER A 14 -9.213 -4.537 -7.207 1.00 0.00 C ATOM 180 O SER A 14 -8.479 -5.447 -7.608 1.00 0.00 O ATOM 181 CB SER A 14 -11.670 -4.723 -6.973 1.00 0.00 C ATOM 182 OG SER A 14 -12.736 -5.100 -6.125 1.00 0.00 O ATOM 0 H SER A 14 -11.303 -3.332 -5.224 1.00 0.00 H new ATOM 0 HA SER A 14 -10.167 -5.826 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.820 -3.701 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.658 -5.362 -7.856 1.00 0.00 H new ATOM 0 HG SER A 14 -13.173 -4.297 -5.772 1.00 0.00 H new ATOM 188 N ASP A 15 -9.052 -3.287 -7.537 1.00 0.00 N ATOM 189 CA ASP A 15 -8.059 -2.842 -8.493 1.00 0.00 C ATOM 190 C ASP A 15 -6.669 -3.043 -7.910 1.00 0.00 C ATOM 191 O ASP A 15 -5.739 -3.436 -8.602 1.00 0.00 O ATOM 192 CB ASP A 15 -8.319 -1.370 -8.828 1.00 0.00 C ATOM 193 CG ASP A 15 -7.682 -0.917 -10.121 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.531 -1.744 -11.043 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.413 0.287 -10.282 1.00 0.00 O ATOM 0 H ASP A 15 -9.613 -2.530 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.125 -3.424 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.395 -1.205 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.945 -0.750 -8.013 1.00 0.00 H new ATOM 200 N ILE A 16 -6.555 -2.834 -6.613 1.00 0.00 N ATOM 201 CA ILE A 16 -5.318 -3.041 -5.914 1.00 0.00 C ATOM 202 C ILE A 16 -5.081 -4.523 -5.636 1.00 0.00 C ATOM 203 O ILE A 16 -3.953 -5.003 -5.780 1.00 0.00 O ATOM 204 CB ILE A 16 -5.270 -2.207 -4.615 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.201 -0.711 -4.936 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.158 -2.634 -3.672 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.078 -0.315 -5.883 1.00 0.00 C ATOM 0 H ILE A 16 -7.322 -2.516 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.508 -2.697 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.199 -2.401 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.151 -0.403 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.084 -0.158 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.178 -2.009 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.301 -3.677 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.195 -2.523 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.107 0.761 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.118 -0.587 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.203 -0.835 -6.833 1.00 0.00 H new ATOM 219 N ALA A 17 -6.152 -5.258 -5.313 1.00 0.00 N ATOM 220 CA ALA A 17 -6.061 -6.694 -5.029 1.00 0.00 C ATOM 221 C ALA A 17 -5.504 -7.378 -6.232 1.00 0.00 C ATOM 222 O ALA A 17 -4.590 -8.178 -6.141 1.00 0.00 O ATOM 223 CB ALA A 17 -7.431 -7.277 -4.699 1.00 0.00 C ATOM 0 H ALA A 17 -7.096 -4.879 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.414 -6.846 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.333 -8.343 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.839 -6.774 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.102 -7.131 -5.546 1.00 0.00 H new ATOM 229 N THR A 18 -6.014 -6.960 -7.367 1.00 0.00 N ATOM 230 CA THR A 18 -5.641 -7.410 -8.643 1.00 0.00 C ATOM 231 C THR A 18 -4.133 -7.251 -8.878 1.00 0.00 C ATOM 232 O THR A 18 -3.473 -8.145 -9.386 1.00 0.00 O ATOM 233 CB THR A 18 -6.471 -6.587 -9.652 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.806 -7.100 -9.762 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.812 -6.401 -10.990 1.00 0.00 C ATOM 0 H THR A 18 -6.746 -6.251 -7.401 1.00 0.00 H new ATOM 0 HA THR A 18 -5.841 -8.475 -8.757 1.00 0.00 H new ATOM 0 HB THR A 18 -6.530 -5.580 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.376 -6.675 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.462 -5.812 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.863 -5.881 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.632 -7.375 -11.445 1.00 0.00 H new ATOM 243 N LEU A 19 -3.596 -6.164 -8.424 1.00 0.00 N ATOM 244 CA LEU A 19 -2.230 -5.841 -8.680 1.00 0.00 C ATOM 245 C LEU A 19 -1.270 -6.496 -7.697 1.00 0.00 C ATOM 246 O LEU A 19 -0.082 -6.551 -7.938 1.00 0.00 O ATOM 247 CB LEU A 19 -2.085 -4.342 -8.761 1.00 0.00 C ATOM 248 CG LEU A 19 -2.845 -3.724 -9.934 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.905 -2.251 -9.815 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.217 -4.107 -11.262 1.00 0.00 C ATOM 0 H LEU A 19 -4.095 -5.473 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.942 -6.262 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.442 -3.899 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.028 -4.090 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.860 -4.120 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.452 -1.839 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.414 -1.981 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.893 -1.845 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.781 -3.652 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.186 -3.754 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.232 -5.191 -11.372 1.00 0.00 H new ATOM 262 N LEU A 20 -1.793 -7.016 -6.610 1.00 0.00 N ATOM 263 CA LEU A 20 -0.961 -7.745 -5.652 1.00 0.00 C ATOM 264 C LEU A 20 -0.767 -9.172 -6.157 1.00 0.00 C ATOM 265 O LEU A 20 0.127 -9.899 -5.715 1.00 0.00 O ATOM 266 CB LEU A 20 -1.659 -7.805 -4.295 1.00 0.00 C ATOM 267 CG LEU A 20 -2.122 -6.473 -3.725 1.00 0.00 C ATOM 268 CD1 LEU A 20 -2.846 -6.682 -2.415 1.00 0.00 C ATOM 269 CD2 LEU A 20 -0.960 -5.502 -3.556 1.00 0.00 C ATOM 0 H LEU A 20 -2.780 -6.954 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.002 -7.237 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.525 -8.461 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.980 -8.268 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.817 -6.028 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.170 -5.719 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.715 -7.319 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.175 -7.159 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.328 -4.561 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.224 -5.930 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.495 -5.319 -4.525 1.00 0.00 H new ATOM 281 N LYS A 21 -1.635 -9.541 -7.078 1.00 0.00 N ATOM 282 CA LYS A 21 -1.722 -10.874 -7.636 1.00 0.00 C ATOM 283 C LYS A 21 -1.121 -10.932 -9.036 1.00 0.00 C ATOM 284 O LYS A 21 -0.497 -11.930 -9.426 1.00 0.00 O ATOM 285 CB LYS A 21 -3.178 -11.203 -7.753 1.00 0.00 C ATOM 286 CG LYS A 21 -3.929 -11.145 -6.444 1.00 0.00 C ATOM 287 CD LYS A 21 -5.418 -11.241 -6.684 1.00 0.00 C ATOM 288 CE LYS A 21 -5.794 -12.497 -7.448 1.00 0.00 C ATOM 289 NZ LYS A 21 -5.479 -13.735 -6.688 1.00 0.00 N ATOM 0 H LYS A 21 -2.322 -8.898 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.179 -11.569 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.641 -10.511 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.281 -12.203 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.606 -11.960 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.697 -10.214 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.940 -11.229 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.752 -10.365 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.859 -12.475 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.264 -12.513 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.815 -14.564 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.451 -13.805 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.951 -13.703 -5.762 1.00 0.00 H new ATOM 303 N THR A 22 -1.423 -9.894 -9.795 1.00 0.00 N ATOM 304 CA THR A 22 -0.994 -9.676 -11.178 1.00 0.00 C ATOM 305 C THR A 22 0.485 -9.931 -11.436 1.00 0.00 C ATOM 306 O THR A 22 1.326 -10.075 -10.533 1.00 0.00 O ATOM 307 CB THR A 22 -1.363 -8.227 -11.662 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.490 -8.211 -13.100 1.00 0.00 O ATOM 309 CG2 THR A 22 -0.273 -7.219 -11.274 1.00 0.00 C ATOM 0 H THR A 22 -2.008 -9.133 -9.449 1.00 0.00 H new ATOM 0 HA THR A 22 -1.541 -10.423 -11.754 1.00 0.00 H new ATOM 0 HB THR A 22 -2.303 -7.949 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.722 -7.307 -13.398 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.556 -6.225 -11.622 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.159 -7.205 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.672 -7.509 -11.734 1.00 0.00 H new ATOM 317 N SER A 23 0.744 -9.980 -12.682 1.00 0.00 N ATOM 318 CA SER A 23 1.993 -10.185 -13.254 1.00 0.00 C ATOM 319 C SER A 23 2.986 -9.091 -12.881 1.00 0.00 C ATOM 320 O SER A 23 2.748 -7.897 -13.062 1.00 0.00 O ATOM 321 CB SER A 23 1.755 -10.205 -14.707 1.00 0.00 C ATOM 322 OG SER A 23 0.877 -11.263 -15.063 1.00 0.00 O ATOM 0 H SER A 23 0.013 -9.866 -13.384 1.00 0.00 H new ATOM 0 HA SER A 23 2.439 -11.113 -12.895 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.330 -9.252 -15.023 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.703 -10.321 -15.233 1.00 0.00 H new ATOM 0 HG SER A 23 0.732 -11.256 -16.032 1.00 0.00 H new ATOM 328 N LEU A 24 4.085 -9.535 -12.389 1.00 0.00 N ATOM 329 CA LEU A 24 5.141 -8.701 -11.931 1.00 0.00 C ATOM 330 C LEU A 24 6.351 -8.781 -12.775 1.00 0.00 C ATOM 331 O LEU A 24 7.183 -7.906 -12.788 1.00 0.00 O ATOM 332 CB LEU A 24 5.432 -8.993 -10.501 1.00 0.00 C ATOM 333 CG LEU A 24 5.185 -10.419 -9.991 1.00 0.00 C ATOM 334 CD1 LEU A 24 6.015 -11.421 -10.717 1.00 0.00 C ATOM 335 CD2 LEU A 24 5.468 -10.476 -8.533 1.00 0.00 C ATOM 0 H LEU A 24 4.284 -10.531 -12.289 1.00 0.00 H new ATOM 0 HA LEU A 24 4.806 -7.667 -12.014 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.478 -8.749 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.835 -8.313 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 24 4.141 -10.670 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.809 -12.417 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.773 -11.392 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.071 -11.188 -10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.293 -11.488 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.507 -10.199 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.812 -9.782 -8.008 1.00 0.00 H new ATOM 347 N ARG A 25 6.374 -9.805 -13.496 1.00 0.00 N ATOM 348 CA ARG A 25 7.423 -10.185 -14.395 1.00 0.00 C ATOM 349 C ARG A 25 8.705 -10.364 -13.612 1.00 0.00 C ATOM 350 O ARG A 25 8.669 -10.740 -12.463 1.00 0.00 O ATOM 351 CB ARG A 25 7.560 -9.093 -15.396 1.00 0.00 C ATOM 352 CG ARG A 25 6.345 -8.869 -16.243 1.00 0.00 C ATOM 353 CD ARG A 25 6.408 -7.501 -16.838 1.00 0.00 C ATOM 354 NE ARG A 25 5.799 -6.457 -15.999 1.00 0.00 N ATOM 355 CZ ARG A 25 5.033 -5.449 -16.480 1.00 0.00 C ATOM 356 NH1 ARG A 25 4.674 -5.424 -17.763 1.00 0.00 N ATOM 357 NH2 ARG A 25 4.623 -4.484 -15.679 1.00 0.00 N ATOM 0 H ARG A 25 5.606 -10.477 -13.494 1.00 0.00 H new ATOM 0 HA ARG A 25 7.202 -11.126 -14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.799 -8.167 -14.874 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.405 -9.318 -16.047 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.293 -9.620 -17.032 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.442 -8.976 -15.641 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.451 -7.243 -17.022 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.907 -7.513 -17.806 1.00 0.00 H new ATOM 0 HE ARG A 25 5.964 -6.495 -14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.976 -6.168 -18.392 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.097 -4.661 -18.116 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.883 -4.495 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.046 -3.727 -16.046 1.00 0.00 H new ATOM 371 N LYS A 26 9.817 -10.171 -14.241 1.00 0.00 N ATOM 372 CA LYS A 26 11.072 -10.165 -13.542 1.00 0.00 C ATOM 373 C LYS A 26 11.787 -8.884 -13.875 1.00 0.00 C ATOM 374 O LYS A 26 13.023 -8.795 -13.848 1.00 0.00 O ATOM 375 CB LYS A 26 11.917 -11.402 -13.876 1.00 0.00 C ATOM 376 CG LYS A 26 11.278 -12.689 -13.384 1.00 0.00 C ATOM 377 CD LYS A 26 12.155 -13.911 -13.578 1.00 0.00 C ATOM 378 CE LYS A 26 12.440 -14.191 -15.035 1.00 0.00 C ATOM 379 NZ LYS A 26 13.150 -15.465 -15.197 1.00 0.00 N ATOM 0 H LYS A 26 9.888 -10.014 -15.246 1.00 0.00 H new ATOM 0 HA LYS A 26 10.895 -10.213 -12.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.061 -11.460 -14.955 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.905 -11.296 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.041 -12.586 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.335 -12.841 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.096 -13.767 -13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.668 -14.779 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.504 -14.219 -15.593 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.038 -13.382 -15.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.334 -15.634 -16.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.053 -15.427 -14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.567 -16.238 -14.817 1.00 0.00 H new ATOM 393 N GLY A 27 10.986 -7.870 -14.155 1.00 0.00 N ATOM 394 CA GLY A 27 11.504 -6.580 -14.513 1.00 0.00 C ATOM 395 C GLY A 27 10.557 -5.445 -14.176 1.00 0.00 C ATOM 396 O GLY A 27 10.522 -4.448 -14.885 1.00 0.00 O ATOM 0 H GLY A 27 9.968 -7.926 -14.138 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.451 -6.420 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.715 -6.564 -15.582 1.00 0.00 H new ATOM 400 N ASP A 28 9.802 -5.583 -13.098 1.00 0.00 N ATOM 401 CA ASP A 28 8.880 -4.503 -12.666 1.00 0.00 C ATOM 402 C ASP A 28 9.462 -3.906 -11.385 1.00 0.00 C ATOM 403 O ASP A 28 10.444 -4.430 -10.846 1.00 0.00 O ATOM 404 CB ASP A 28 7.406 -5.029 -12.419 1.00 0.00 C ATOM 405 CG ASP A 28 6.316 -3.920 -12.403 1.00 0.00 C ATOM 406 OD1 ASP A 28 6.318 -3.012 -11.540 1.00 0.00 O ATOM 407 OD2 ASP A 28 5.443 -3.944 -13.284 1.00 0.00 O ATOM 0 H ASP A 28 9.796 -6.412 -12.503 1.00 0.00 H new ATOM 0 HA ASP A 28 8.800 -3.754 -13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.158 -5.753 -13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.379 -5.560 -11.468 1.00 0.00 H new ATOM 412 N THR A 29 8.889 -2.864 -10.905 1.00 0.00 N ATOM 413 CA THR A 29 9.345 -2.216 -9.718 1.00 0.00 C ATOM 414 C THR A 29 8.223 -2.192 -8.735 1.00 0.00 C ATOM 415 O THR A 29 7.145 -1.651 -8.998 1.00 0.00 O ATOM 416 CB THR A 29 9.812 -0.783 -9.994 1.00 0.00 C ATOM 417 OG1 THR A 29 10.860 -0.803 -10.995 1.00 0.00 O ATOM 418 CG2 THR A 29 10.332 -0.153 -8.713 1.00 0.00 C ATOM 0 H THR A 29 8.073 -2.424 -11.330 1.00 0.00 H new ATOM 0 HA THR A 29 10.198 -2.769 -9.325 1.00 0.00 H new ATOM 0 HB THR A 29 8.972 -0.193 -10.361 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.159 0.113 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.662 0.866 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.537 -0.135 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.171 -0.738 -8.334 1.00 0.00 H new ATOM 426 N TRP A 30 8.472 -2.770 -7.633 1.00 0.00 N ATOM 427 CA TRP A 30 7.536 -2.855 -6.612 1.00 0.00 C ATOM 428 C TRP A 30 7.876 -1.853 -5.536 1.00 0.00 C ATOM 429 O TRP A 30 8.994 -1.790 -5.043 1.00 0.00 O ATOM 430 CB TRP A 30 7.423 -4.288 -6.095 1.00 0.00 C ATOM 431 CG TRP A 30 6.644 -5.201 -7.038 1.00 0.00 C ATOM 432 CD1 TRP A 30 6.914 -5.481 -8.353 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.454 -5.948 -6.718 1.00 0.00 C ATOM 434 NE1 TRP A 30 5.953 -6.306 -8.862 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.047 -6.616 -7.875 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.696 -6.101 -5.574 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.895 -7.428 -7.901 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.574 -6.897 -5.600 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.184 -7.549 -6.751 1.00 0.00 C ATOM 0 H TRP A 30 9.366 -3.210 -7.416 1.00 0.00 H new ATOM 0 HA TRP A 30 6.546 -2.600 -6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.423 -4.695 -5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.935 -4.280 -5.120 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.762 -5.104 -8.905 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.913 -6.641 -9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.983 -5.598 -4.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.589 -7.936 -8.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.987 -7.014 -4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.298 -8.166 -6.737 1.00 0.00 H new ATOM 450 N TYR A 31 6.929 -1.068 -5.212 1.00 0.00 N ATOM 451 CA TYR A 31 7.085 0.000 -4.285 1.00 0.00 C ATOM 452 C TYR A 31 6.601 -0.394 -2.930 1.00 0.00 C ATOM 453 O TYR A 31 5.628 -1.147 -2.803 1.00 0.00 O ATOM 454 CB TYR A 31 6.335 1.192 -4.788 1.00 0.00 C ATOM 455 CG TYR A 31 6.964 1.850 -5.993 1.00 0.00 C ATOM 456 CD1 TYR A 31 7.942 2.806 -5.834 1.00 0.00 C ATOM 457 CD2 TYR A 31 6.577 1.517 -7.291 1.00 0.00 C ATOM 458 CE1 TYR A 31 8.523 3.417 -6.918 1.00 0.00 C ATOM 459 CE2 TYR A 31 7.160 2.130 -8.385 1.00 0.00 C ATOM 460 CZ TYR A 31 8.138 3.080 -8.184 1.00 0.00 C ATOM 461 OH TYR A 31 8.729 3.707 -9.256 1.00 0.00 O ATOM 0 H TYR A 31 5.986 -1.145 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 31 8.143 0.246 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.319 0.889 -5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.258 1.925 -3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.258 3.080 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.812 0.770 -7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.287 4.166 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.852 1.867 -9.386 1.00 0.00 H new ATOM 0 HH TYR A 31 8.349 3.358 -10.089 1.00 0.00 H new ATOM 471 N LEU A 32 7.276 0.097 -1.923 1.00 0.00 N ATOM 472 CA LEU A 32 6.962 -0.241 -0.574 1.00 0.00 C ATOM 473 C LEU A 32 6.032 0.754 0.021 1.00 0.00 C ATOM 474 O LEU A 32 6.116 1.937 -0.243 1.00 0.00 O ATOM 475 CB LEU A 32 8.214 -0.389 0.333 1.00 0.00 C ATOM 476 CG LEU A 32 9.161 -1.557 0.027 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.888 -1.358 -1.263 1.00 0.00 C ATOM 478 CD2 LEU A 32 10.140 -1.784 1.140 1.00 0.00 C ATOM 0 H LEU A 32 8.059 0.743 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 32 6.480 -1.217 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.787 0.536 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.875 -0.488 1.364 1.00 0.00 H new ATOM 0 HG LEU A 32 8.536 -2.445 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.548 -2.206 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.168 -1.279 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.479 -0.443 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.793 -2.619 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.740 -0.886 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.600 -2.013 2.059 1.00 0.00 H new ATOM 490 N VAL A 33 5.149 0.254 0.789 1.00 0.00 N ATOM 491 CA VAL A 33 4.192 1.034 1.571 1.00 0.00 C ATOM 492 C VAL A 33 4.174 0.499 2.958 1.00 0.00 C ATOM 493 O VAL A 33 4.328 -0.664 3.128 1.00 0.00 O ATOM 494 CB VAL A 33 2.755 0.988 0.945 1.00 0.00 C ATOM 495 CG1 VAL A 33 2.482 -0.322 0.391 1.00 0.00 C ATOM 496 CG2 VAL A 33 1.638 1.343 1.924 1.00 0.00 C ATOM 0 H VAL A 33 5.043 -0.752 0.918 1.00 0.00 H new ATOM 0 HA VAL A 33 4.502 2.079 1.573 1.00 0.00 H new ATOM 0 HB VAL A 33 2.759 1.750 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.480 -0.334 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.213 -0.548 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.547 -1.071 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.676 1.288 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.648 0.640 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.792 2.354 2.300 1.00 0.00 H new ATOM 506 N ASP A 34 4.055 1.349 3.941 1.00 0.00 N ATOM 507 CA ASP A 34 3.948 0.894 5.315 1.00 0.00 C ATOM 508 C ASP A 34 2.688 0.031 5.439 1.00 0.00 C ATOM 509 O ASP A 34 1.602 0.458 5.019 1.00 0.00 O ATOM 510 CB ASP A 34 3.866 2.100 6.234 1.00 0.00 C ATOM 511 CG ASP A 34 3.826 1.739 7.690 1.00 0.00 C ATOM 512 OD1 ASP A 34 2.790 1.259 8.177 1.00 0.00 O ATOM 513 OD2 ASP A 34 4.827 1.965 8.380 1.00 0.00 O ATOM 0 H ASP A 34 4.029 2.362 3.824 1.00 0.00 H new ATOM 0 HA ASP A 34 4.819 0.303 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.725 2.746 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.975 2.677 5.986 1.00 0.00 H new ATOM 518 N SER A 35 2.823 -1.161 5.998 1.00 0.00 N ATOM 519 CA SER A 35 1.721 -2.108 6.041 1.00 0.00 C ATOM 520 C SER A 35 0.547 -1.579 6.817 1.00 0.00 C ATOM 521 O SER A 35 -0.583 -1.802 6.448 1.00 0.00 O ATOM 522 CB SER A 35 2.164 -3.430 6.631 1.00 0.00 C ATOM 523 OG SER A 35 2.851 -3.234 7.856 1.00 0.00 O ATOM 0 H SER A 35 3.685 -1.496 6.428 1.00 0.00 H new ATOM 0 HA SER A 35 1.403 -2.261 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.296 -4.069 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.813 -3.949 5.925 1.00 0.00 H new ATOM 0 HG SER A 35 3.254 -4.080 8.144 1.00 0.00 H new ATOM 529 N ARG A 36 0.823 -0.826 7.850 1.00 0.00 N ATOM 530 CA ARG A 36 -0.202 -0.304 8.736 1.00 0.00 C ATOM 531 C ARG A 36 -1.104 0.629 8.021 1.00 0.00 C ATOM 532 O ARG A 36 -2.315 0.658 8.260 1.00 0.00 O ATOM 533 CB ARG A 36 0.412 0.418 9.894 1.00 0.00 C ATOM 534 CG ARG A 36 0.941 -0.465 10.953 1.00 0.00 C ATOM 535 CD ARG A 36 2.198 -1.247 10.577 1.00 0.00 C ATOM 536 NE ARG A 36 3.324 -0.379 10.251 1.00 0.00 N ATOM 537 CZ ARG A 36 4.550 -0.481 10.773 1.00 0.00 C ATOM 538 NH1 ARG A 36 4.810 -1.387 11.714 1.00 0.00 N ATOM 539 NH2 ARG A 36 5.508 0.324 10.353 1.00 0.00 N ATOM 0 H ARG A 36 1.771 -0.552 8.108 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.777 -1.157 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.221 1.048 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.335 1.081 10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.158 0.139 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.162 -1.173 11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.476 -1.900 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.980 -1.889 9.723 1.00 0.00 H new ATOM 0 HE ARG A 36 3.163 0.364 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.071 -2.009 12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.748 -1.459 12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.311 1.020 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.446 0.251 10.748 1.00 0.00 H new ATOM 553 N TRP A 37 -0.511 1.362 7.145 1.00 0.00 N ATOM 554 CA TRP A 37 -1.228 2.310 6.314 1.00 0.00 C ATOM 555 C TRP A 37 -2.207 1.531 5.433 1.00 0.00 C ATOM 556 O TRP A 37 -3.371 1.888 5.297 1.00 0.00 O ATOM 557 CB TRP A 37 -0.236 3.150 5.451 1.00 0.00 C ATOM 558 CG TRP A 37 -0.900 4.140 4.513 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.067 5.485 4.699 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.495 3.838 3.246 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.738 6.022 3.621 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.014 5.025 2.724 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.636 2.666 2.519 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.671 5.065 1.492 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.271 2.689 1.325 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.793 3.883 0.806 1.00 0.00 C ATOM 0 H TRP A 37 0.494 1.332 6.971 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.780 3.012 6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.435 3.693 6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.380 2.470 4.864 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.725 6.041 5.559 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.989 7.004 3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.240 1.738 2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.067 5.988 1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.378 1.773 0.762 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.299 3.872 -0.148 1.00 0.00 H new ATOM 577 N PHE A 38 -1.724 0.444 4.880 1.00 0.00 N ATOM 578 CA PHE A 38 -2.493 -0.398 4.004 1.00 0.00 C ATOM 579 C PHE A 38 -3.579 -1.121 4.801 1.00 0.00 C ATOM 580 O PHE A 38 -4.709 -1.215 4.358 1.00 0.00 O ATOM 581 CB PHE A 38 -1.557 -1.367 3.330 1.00 0.00 C ATOM 582 CG PHE A 38 -2.129 -2.089 2.135 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.059 -1.518 0.876 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.705 -3.341 2.262 1.00 0.00 C ATOM 585 CE1 PHE A 38 -2.555 -2.177 -0.228 1.00 0.00 C ATOM 586 CE2 PHE A 38 -3.208 -4.006 1.161 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.131 -3.423 -0.085 1.00 0.00 C ATOM 0 H PHE A 38 -0.770 0.117 5.031 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.992 0.196 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.665 -0.826 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.237 -2.108 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.610 -0.543 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.762 -3.805 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.493 -1.719 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.660 -4.980 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.521 -3.941 -0.949 1.00 0.00 H new ATOM 597 N LYS A 39 -3.226 -1.634 5.988 1.00 0.00 N ATOM 598 CA LYS A 39 -4.192 -2.191 6.918 1.00 0.00 C ATOM 599 C LYS A 39 -5.302 -1.188 7.261 1.00 0.00 C ATOM 600 O LYS A 39 -6.442 -1.576 7.502 1.00 0.00 O ATOM 601 CB LYS A 39 -3.503 -2.673 8.194 1.00 0.00 C ATOM 602 CG LYS A 39 -2.956 -4.090 8.158 1.00 0.00 C ATOM 603 CD LYS A 39 -1.856 -4.374 7.151 1.00 0.00 C ATOM 604 CE LYS A 39 -1.335 -5.777 7.411 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.301 -6.257 6.458 1.00 0.00 N ATOM 0 H LYS A 39 -2.262 -1.670 6.321 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.657 -3.044 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.682 -1.993 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.213 -2.599 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.579 -4.334 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.785 -4.769 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.239 -4.292 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.052 -3.644 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.921 -5.812 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.176 -6.469 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.253 -7.295 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.549 -5.953 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.624 -5.859 6.720 1.00 0.00 H new ATOM 619 N GLN A 40 -4.961 0.081 7.287 1.00 0.00 N ATOM 620 CA GLN A 40 -5.887 1.130 7.521 1.00 0.00 C ATOM 621 C GLN A 40 -6.786 1.306 6.284 1.00 0.00 C ATOM 622 O GLN A 40 -8.019 1.386 6.401 1.00 0.00 O ATOM 623 CB GLN A 40 -5.069 2.375 7.781 1.00 0.00 C ATOM 624 CG GLN A 40 -5.847 3.575 8.091 1.00 0.00 C ATOM 625 CD GLN A 40 -6.549 3.459 9.413 1.00 0.00 C ATOM 626 OE1 GLN A 40 -6.052 2.833 10.354 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.695 4.001 9.483 1.00 0.00 N ATOM 0 H GLN A 40 -4.005 0.404 7.141 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.537 0.919 8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.389 2.178 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.453 2.576 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.187 4.442 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.581 3.746 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.069 4.509 8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.242 3.928 10.341 1.00 0.00 H new ATOM 636 N TRP A 41 -6.153 1.333 5.113 1.00 0.00 N ATOM 637 CA TRP A 41 -6.845 1.444 3.833 1.00 0.00 C ATOM 638 C TRP A 41 -7.826 0.299 3.647 1.00 0.00 C ATOM 639 O TRP A 41 -8.922 0.496 3.165 1.00 0.00 O ATOM 640 CB TRP A 41 -5.826 1.496 2.667 1.00 0.00 C ATOM 641 CG TRP A 41 -6.456 1.435 1.301 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.068 2.446 0.622 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.531 0.288 0.460 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.543 1.995 -0.578 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.213 0.669 -0.708 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.090 -1.030 0.584 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.462 -0.219 -1.738 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.340 -1.909 -0.441 1.00 0.00 C ATOM 649 CH2 TRP A 41 -7.018 -1.500 -1.586 1.00 0.00 C ATOM 0 H TRP A 41 -5.138 1.278 5.026 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.413 2.374 3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.244 2.414 2.747 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.127 0.666 2.771 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.164 3.460 0.981 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.057 2.551 -1.262 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.562 -1.353 1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.988 0.090 -2.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.006 -2.933 -0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.197 -2.216 -2.375 1.00 0.00 H new ATOM 660 N LYS A 42 -7.426 -0.881 4.067 1.00 0.00 N ATOM 661 CA LYS A 42 -8.228 -2.073 3.967 1.00 0.00 C ATOM 662 C LYS A 42 -9.585 -1.940 4.643 1.00 0.00 C ATOM 663 O LYS A 42 -10.574 -2.410 4.122 1.00 0.00 O ATOM 664 CB LYS A 42 -7.455 -3.228 4.528 1.00 0.00 C ATOM 665 CG LYS A 42 -6.419 -3.804 3.575 1.00 0.00 C ATOM 666 CD LYS A 42 -5.316 -4.529 4.310 1.00 0.00 C ATOM 667 CE LYS A 42 -5.828 -5.386 5.447 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.589 -6.579 4.996 1.00 0.00 N ATOM 0 H LYS A 42 -6.514 -1.038 4.496 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.443 -2.245 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.954 -2.907 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.153 -4.017 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.906 -4.491 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.989 -3.000 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.770 -5.157 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.608 -3.799 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.983 -5.712 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.467 -4.779 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.535 -6.572 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.682 -6.560 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.084 -7.442 5.282 1.00 0.00 H new ATOM 682 N LYS A 43 -9.624 -1.311 5.772 1.00 0.00 N ATOM 683 CA LYS A 43 -10.897 -1.087 6.468 1.00 0.00 C ATOM 684 C LYS A 43 -11.699 -0.060 5.755 1.00 0.00 C ATOM 685 O LYS A 43 -12.891 -0.236 5.520 1.00 0.00 O ATOM 686 CB LYS A 43 -10.639 -0.629 7.865 1.00 0.00 C ATOM 687 CG LYS A 43 -9.892 -1.660 8.615 1.00 0.00 C ATOM 688 CD LYS A 43 -9.246 -1.143 9.837 1.00 0.00 C ATOM 689 CE LYS A 43 -8.511 -2.276 10.502 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.653 -3.013 9.528 1.00 0.00 N ATOM 0 H LYS A 43 -8.805 -0.935 6.249 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.452 -2.025 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.072 0.302 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.584 -0.419 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.573 -2.466 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.131 -2.091 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.556 -0.337 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.992 -0.726 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.894 -1.886 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.228 -2.963 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.011 -3.649 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.254 -3.571 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.095 -2.333 8.973 1.00 0.00 H new ATOM 704 N TYR A 44 -11.019 0.996 5.377 1.00 0.00 N ATOM 705 CA TYR A 44 -11.590 2.101 4.697 1.00 0.00 C ATOM 706 C TYR A 44 -12.244 1.661 3.400 1.00 0.00 C ATOM 707 O TYR A 44 -13.297 2.154 3.025 1.00 0.00 O ATOM 708 CB TYR A 44 -10.470 3.134 4.456 1.00 0.00 C ATOM 709 CG TYR A 44 -10.592 3.924 3.189 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.479 4.983 3.045 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.820 3.569 2.115 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.572 5.648 1.837 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.899 4.220 0.937 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.765 5.244 0.787 1.00 0.00 C ATOM 715 OH TYR A 44 -10.835 5.854 -0.425 1.00 0.00 O ATOM 0 H TYR A 44 -10.019 1.099 5.547 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.379 2.553 5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.450 3.827 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.513 2.613 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.096 5.287 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.129 2.745 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.263 6.469 1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.268 3.922 0.112 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.655 6.389 -0.475 1.00 0.00 H new ATOM 725 N VAL A 45 -11.614 0.754 2.734 1.00 0.00 N ATOM 726 CA VAL A 45 -12.055 0.320 1.493 1.00 0.00 C ATOM 727 C VAL A 45 -12.995 -0.920 1.565 1.00 0.00 C ATOM 728 O VAL A 45 -13.804 -1.119 0.667 1.00 0.00 O ATOM 729 CB VAL A 45 -10.843 0.052 0.612 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.171 -1.260 0.808 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.081 0.395 -0.751 1.00 0.00 C ATOM 0 H VAL A 45 -10.763 0.297 3.061 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.667 1.110 1.059 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.084 0.744 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.323 -1.340 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.820 -1.339 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.877 -2.065 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.188 0.186 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.914 -0.194 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.323 1.455 -0.822 1.00 0.00 H new ATOM 741 N GLY A 46 -12.920 -1.725 2.636 1.00 0.00 N ATOM 742 CA GLY A 46 -13.697 -2.928 2.686 1.00 0.00 C ATOM 743 C GLY A 46 -12.907 -4.110 2.167 1.00 0.00 C ATOM 744 O GLY A 46 -13.469 -5.101 1.688 1.00 0.00 O ATOM 0 H GLY A 46 -12.335 -1.552 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.011 -3.119 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.603 -2.804 2.093 1.00 0.00 H new ATOM 748 N PHE A 47 -11.597 -3.973 2.216 1.00 0.00 N ATOM 749 CA PHE A 47 -10.680 -5.012 1.820 1.00 0.00 C ATOM 750 C PHE A 47 -10.597 -6.016 2.957 1.00 0.00 C ATOM 751 O PHE A 47 -10.357 -7.202 2.734 1.00 0.00 O ATOM 752 CB PHE A 47 -9.309 -4.399 1.568 1.00 0.00 C ATOM 753 CG PHE A 47 -8.363 -5.215 0.751 1.00 0.00 C ATOM 754 CD1 PHE A 47 -7.567 -6.191 1.322 1.00 0.00 C ATOM 755 CD2 PHE A 47 -8.263 -4.982 -0.600 1.00 0.00 C ATOM 756 CE1 PHE A 47 -6.689 -6.923 0.550 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.391 -5.704 -1.380 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.601 -6.680 -0.805 1.00 0.00 C ATOM 0 H PHE A 47 -11.137 -3.121 2.538 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.019 -5.504 0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.449 -3.438 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.842 -4.196 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.633 -6.382 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.879 -4.220 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.072 -7.684 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.324 -5.508 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.916 -7.251 -1.414 1.00 0.00 H new ATOM 768 N ASP A 48 -10.770 -5.528 4.194 1.00 0.00 N ATOM 769 CA ASP A 48 -10.855 -6.406 5.328 1.00 0.00 C ATOM 770 C ASP A 48 -12.216 -6.995 5.291 1.00 0.00 C ATOM 771 O ASP A 48 -13.182 -6.296 5.464 1.00 0.00 O ATOM 772 CB ASP A 48 -10.627 -5.679 6.679 1.00 0.00 C ATOM 773 CG ASP A 48 -9.175 -5.370 6.978 1.00 0.00 C ATOM 774 OD1 ASP A 48 -8.345 -6.299 6.928 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.828 -4.220 7.320 1.00 0.00 O ATOM 0 H ASP A 48 -10.851 -4.536 4.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.070 -7.160 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.193 -4.747 6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.029 -6.295 7.483 1.00 0.00 H new ATOM 780 N SER A 49 -12.305 -8.264 5.031 1.00 0.00 N ATOM 781 CA SER A 49 -13.573 -8.935 4.867 1.00 0.00 C ATOM 782 C SER A 49 -14.401 -8.960 6.138 1.00 0.00 C ATOM 783 O SER A 49 -15.613 -9.138 6.104 1.00 0.00 O ATOM 784 CB SER A 49 -13.307 -10.315 4.376 1.00 0.00 C ATOM 785 OG SER A 49 -12.141 -10.829 5.003 1.00 0.00 O ATOM 0 H SER A 49 -11.495 -8.875 4.924 1.00 0.00 H new ATOM 0 HA SER A 49 -14.168 -8.378 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.160 -10.958 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.177 -10.308 3.294 1.00 0.00 H new ATOM 0 HG SER A 49 -12.055 -10.443 5.900 1.00 0.00 H new ATOM 791 N TRP A 50 -13.753 -8.765 7.231 1.00 0.00 N ATOM 792 CA TRP A 50 -14.395 -8.728 8.498 1.00 0.00 C ATOM 793 C TRP A 50 -14.653 -7.306 8.915 1.00 0.00 C ATOM 794 O TRP A 50 -15.230 -7.058 9.978 1.00 0.00 O ATOM 795 CB TRP A 50 -13.543 -9.445 9.536 1.00 0.00 C ATOM 796 CG TRP A 50 -12.140 -8.926 9.658 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.682 -8.006 10.546 1.00 0.00 C ATOM 798 CD2 TRP A 50 -11.013 -9.309 8.864 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.343 -7.809 10.359 1.00 0.00 N ATOM 800 CE2 TRP A 50 -9.909 -8.600 9.337 1.00 0.00 C ATOM 801 CE3 TRP A 50 -10.843 -10.191 7.808 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -8.639 -8.749 8.786 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -9.589 -10.341 7.254 1.00 0.00 C ATOM 804 CH2 TRP A 50 -8.498 -9.625 7.751 1.00 0.00 C ATOM 0 H TRP A 50 -12.744 -8.624 7.271 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.354 -9.240 8.421 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.032 -9.365 10.507 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.504 -10.505 9.286 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -12.286 -7.505 11.288 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.760 -7.170 10.899 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -11.682 -10.753 7.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.796 -8.191 9.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.449 -11.020 6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.524 -9.768 7.307 1.00 0.00 H new ATOM 815 N ASP A 51 -14.251 -6.366 8.080 1.00 0.00 N ATOM 816 CA ASP A 51 -14.407 -4.978 8.466 1.00 0.00 C ATOM 817 C ASP A 51 -14.805 -4.136 7.302 1.00 0.00 C ATOM 818 O ASP A 51 -13.967 -3.668 6.527 1.00 0.00 O ATOM 819 CB ASP A 51 -13.149 -4.385 9.087 1.00 0.00 C ATOM 820 CG ASP A 51 -13.473 -3.152 9.928 1.00 0.00 C ATOM 821 OD1 ASP A 51 -14.588 -2.566 9.781 1.00 0.00 O ATOM 822 OD2 ASP A 51 -12.649 -2.778 10.807 1.00 0.00 O ATOM 0 H ASP A 51 -13.830 -6.528 7.165 1.00 0.00 H new ATOM 0 HA ASP A 51 -15.194 -4.974 9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.660 -5.134 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.444 -4.116 8.300 1.00 0.00 H new ATOM 827 N LYS A 52 -16.076 -3.983 7.132 1.00 0.00 N ATOM 828 CA LYS A 52 -16.577 -3.126 6.104 1.00 0.00 C ATOM 829 C LYS A 52 -17.442 -2.057 6.688 1.00 0.00 C ATOM 830 O LYS A 52 -18.195 -1.384 5.989 1.00 0.00 O ATOM 831 CB LYS A 52 -17.272 -3.898 4.990 1.00 0.00 C ATOM 832 CG LYS A 52 -16.310 -4.717 4.157 1.00 0.00 C ATOM 833 CD LYS A 52 -16.099 -6.125 4.637 1.00 0.00 C ATOM 834 CE LYS A 52 -17.259 -7.093 4.303 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.519 -6.826 5.040 1.00 0.00 N ATOM 0 H LYS A 52 -16.792 -4.442 7.694 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.724 -2.639 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.022 -4.558 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.800 -3.197 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.677 -4.749 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.347 -4.208 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.180 -6.512 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.954 -6.110 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.461 -7.041 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.937 -8.112 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.084 -7.698 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.296 -6.504 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.061 -6.089 4.546 1.00 0.00 H new ATOM 849 N TYR A 53 -17.277 -1.853 7.975 1.00 0.00 N ATOM 850 CA TYR A 53 -17.987 -0.799 8.682 1.00 0.00 C ATOM 851 C TYR A 53 -17.282 0.505 8.393 1.00 0.00 C ATOM 852 O TYR A 53 -17.888 1.559 8.263 1.00 0.00 O ATOM 853 CB TYR A 53 -17.949 -1.029 10.194 1.00 0.00 C ATOM 854 CG TYR A 53 -18.582 -2.310 10.687 1.00 0.00 C ATOM 855 CD1 TYR A 53 -17.855 -3.492 10.742 1.00 0.00 C ATOM 856 CD2 TYR A 53 -19.892 -2.326 11.136 1.00 0.00 C ATOM 857 CE1 TYR A 53 -18.417 -4.650 11.228 1.00 0.00 C ATOM 858 CE2 TYR A 53 -20.466 -3.483 11.616 1.00 0.00 C ATOM 859 CZ TYR A 53 -19.723 -4.640 11.665 1.00 0.00 C ATOM 860 OH TYR A 53 -20.283 -5.791 12.173 1.00 0.00 O ATOM 0 H TYR A 53 -16.653 -2.406 8.562 1.00 0.00 H new ATOM 0 HA TYR A 53 -19.026 -0.787 8.352 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.908 -1.014 10.517 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -18.447 -0.191 10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.831 -3.502 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -20.473 -1.416 11.109 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.838 -5.561 11.267 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -21.493 -3.482 11.952 1.00 0.00 H new ATOM 0 HH TYR A 53 -21.210 -5.615 12.438 1.00 0.00 H new ATOM 870 N GLN A 54 -15.985 0.385 8.245 1.00 0.00 N ATOM 871 CA GLN A 54 -15.088 1.463 8.025 1.00 0.00 C ATOM 872 C GLN A 54 -15.073 1.867 6.549 1.00 0.00 C ATOM 873 O GLN A 54 -14.397 2.819 6.164 1.00 0.00 O ATOM 874 CB GLN A 54 -13.727 0.970 8.403 1.00 0.00 C ATOM 875 CG GLN A 54 -13.677 0.330 9.772 1.00 0.00 C ATOM 876 CD GLN A 54 -13.867 1.254 10.933 1.00 0.00 C ATOM 877 OE1 GLN A 54 -12.779 1.633 11.549 1.00 0.00 O flip ATOM 878 NE2 GLN A 54 -14.985 1.530 11.347 1.00 0.00 N flip ATOM 0 H GLN A 54 -15.515 -0.520 8.279 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.391 2.331 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.392 0.247 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.026 1.804 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.444 -0.443 9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.714 -0.169 9.883 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.810 1.215 10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.092 2.075 12.203 1.00 0.00 H new ATOM 887 N MET A 55 -15.812 1.119 5.724 1.00 0.00 N ATOM 888 CA MET A 55 -15.868 1.335 4.321 1.00 0.00 C ATOM 889 C MET A 55 -16.445 2.696 4.001 1.00 0.00 C ATOM 890 O MET A 55 -17.610 2.981 4.302 1.00 0.00 O ATOM 891 CB MET A 55 -16.690 0.252 3.638 1.00 0.00 C ATOM 892 CG MET A 55 -16.812 0.501 2.163 1.00 0.00 C ATOM 893 SD MET A 55 -17.990 -0.577 1.306 1.00 0.00 S ATOM 894 CE MET A 55 -17.217 -2.175 1.520 1.00 0.00 C ATOM 0 H MET A 55 -16.388 0.340 6.042 1.00 0.00 H new ATOM 0 HA MET A 55 -14.847 1.293 3.942 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.225 -0.719 3.807 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.684 0.212 4.085 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.110 1.538 2.007 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.830 0.379 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.959 -2.960 1.375 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.417 -2.293 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 55 -16.803 -2.247 2.526 1.00 0.00 H new ATOM 904 N GLY A 56 -15.616 3.526 3.424 1.00 0.00 N ATOM 905 CA GLY A 56 -16.013 4.850 3.043 1.00 0.00 C ATOM 906 C GLY A 56 -16.005 5.798 4.210 1.00 0.00 C ATOM 907 O GLY A 56 -16.397 6.957 4.073 1.00 0.00 O ATOM 0 H GLY A 56 -14.646 3.300 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.341 5.222 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.012 4.818 2.609 1.00 0.00 H new ATOM 911 N ASP A 57 -15.538 5.328 5.351 1.00 0.00 N ATOM 912 CA ASP A 57 -15.545 6.149 6.536 1.00 0.00 C ATOM 913 C ASP A 57 -14.360 7.061 6.497 1.00 0.00 C ATOM 914 O ASP A 57 -13.255 6.671 6.100 1.00 0.00 O ATOM 915 CB ASP A 57 -15.485 5.325 7.843 1.00 0.00 C ATOM 916 CG ASP A 57 -16.026 6.083 9.045 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.917 7.325 9.104 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.553 5.448 9.965 1.00 0.00 O ATOM 0 H ASP A 57 -15.154 4.392 5.478 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.484 6.702 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.055 4.405 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.452 5.035 8.037 1.00 0.00 H new ATOM 923 N GLN A 58 -14.577 8.244 6.926 1.00 0.00 N ATOM 924 CA GLN A 58 -13.552 9.230 7.003 1.00 0.00 C ATOM 925 C GLN A 58 -12.706 8.977 8.228 1.00 0.00 C ATOM 926 O GLN A 58 -11.573 9.406 8.311 1.00 0.00 O ATOM 927 CB GLN A 58 -14.150 10.606 7.080 1.00 0.00 C ATOM 928 CG GLN A 58 -15.067 10.826 8.274 1.00 0.00 C ATOM 929 CD GLN A 58 -15.551 12.248 8.392 1.00 0.00 C ATOM 930 OE1 GLN A 58 -15.714 12.953 7.400 1.00 0.00 O ATOM 931 NE2 GLN A 58 -15.768 12.695 9.602 1.00 0.00 N ATOM 0 H GLN A 58 -15.490 8.569 7.243 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.934 9.168 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.343 11.338 7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.712 10.797 6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.927 10.161 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.538 10.551 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.623 12.083 10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.082 13.655 9.742 1.00 0.00 H new ATOM 940 N ASN A 59 -13.268 8.238 9.171 1.00 0.00 N ATOM 941 CA ASN A 59 -12.606 7.899 10.406 1.00 0.00 C ATOM 942 C ASN A 59 -11.324 7.171 10.147 1.00 0.00 C ATOM 943 O ASN A 59 -10.343 7.303 10.875 1.00 0.00 O ATOM 944 CB ASN A 59 -13.503 7.004 11.228 1.00 0.00 C ATOM 945 CG ASN A 59 -13.190 7.072 12.687 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.351 6.339 13.206 1.00 0.00 O ATOM 947 ND2 ASN A 59 -13.875 7.942 13.361 1.00 0.00 N ATOM 0 H ASN A 59 -14.210 7.855 9.092 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.390 8.825 10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.543 7.290 11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.399 5.975 10.884 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.728 8.039 14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.561 8.529 12.887 1.00 0.00 H new ATOM 954 N VAL A 60 -11.313 6.464 9.068 1.00 0.00 N ATOM 955 CA VAL A 60 -10.243 5.575 8.778 1.00 0.00 C ATOM 956 C VAL A 60 -9.482 5.985 7.565 1.00 0.00 C ATOM 957 O VAL A 60 -8.579 5.268 7.160 1.00 0.00 O ATOM 958 CB VAL A 60 -10.778 4.176 8.528 1.00 0.00 C ATOM 959 CG1 VAL A 60 -11.534 3.741 9.677 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.724 4.203 7.430 1.00 0.00 C ATOM 0 H VAL A 60 -12.048 6.487 8.361 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.580 5.598 9.643 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.932 3.521 8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.919 2.737 9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.889 3.733 10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.366 4.425 9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.106 3.197 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.552 4.867 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.227 4.565 6.530 1.00 0.00 H new ATOM 970 N TYR A 61 -9.861 7.092 6.985 1.00 0.00 N ATOM 971 CA TYR A 61 -9.244 7.542 5.736 1.00 0.00 C ATOM 972 C TYR A 61 -7.706 7.640 5.864 1.00 0.00 C ATOM 973 O TYR A 61 -7.180 8.374 6.720 1.00 0.00 O ATOM 974 CB TYR A 61 -9.876 8.857 5.172 1.00 0.00 C ATOM 975 CG TYR A 61 -9.231 10.177 5.589 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.196 10.725 4.838 1.00 0.00 C ATOM 977 CD2 TYR A 61 -9.657 10.870 6.702 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.609 11.916 5.198 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.081 12.062 7.068 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.058 12.581 6.314 1.00 0.00 C ATOM 981 OH TYR A 61 -7.485 13.787 6.672 1.00 0.00 O ATOM 0 H TYR A 61 -10.591 7.707 7.345 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.462 6.773 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.857 8.801 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.924 8.884 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.847 10.206 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.461 10.467 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.802 12.325 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.431 12.588 7.944 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.917 14.126 7.483 1.00 0.00 H new ATOM 991 N PRO A 62 -6.975 6.836 5.092 1.00 0.00 N ATOM 992 CA PRO A 62 -5.550 6.881 5.062 1.00 0.00 C ATOM 993 C PRO A 62 -5.092 7.890 4.042 1.00 0.00 C ATOM 994 O PRO A 62 -5.298 7.718 2.841 1.00 0.00 O ATOM 995 CB PRO A 62 -5.131 5.473 4.641 1.00 0.00 C ATOM 996 CG PRO A 62 -6.380 4.790 4.202 1.00 0.00 C ATOM 997 CD PRO A 62 -7.477 5.813 4.200 1.00 0.00 C ATOM 0 HA PRO A 62 -5.117 7.172 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.400 5.508 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.665 4.940 5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.253 4.362 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.624 3.968 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.660 6.205 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.419 5.395 4.556 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.573 8.954 4.537 1.00 0.00 N ATOM 1006 CA GLY A 63 -4.038 10.010 3.699 1.00 0.00 C ATOM 1007 C GLY A 63 -2.692 9.644 3.058 1.00 0.00 C ATOM 1008 O GLY A 63 -2.486 8.493 2.669 1.00 0.00 O ATOM 0 H GLY A 63 -4.498 9.135 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.757 10.242 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.916 10.914 4.296 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.750 10.604 2.963 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.448 10.391 2.302 1.00 0.00 C ATOM 1014 C PRO A 64 0.337 9.208 2.875 1.00 0.00 C ATOM 1015 O PRO A 64 0.524 9.092 4.095 1.00 0.00 O ATOM 1016 CB PRO A 64 0.302 11.704 2.549 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.769 12.708 2.774 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.872 11.977 3.482 1.00 0.00 C ATOM 0 HA PRO A 64 -0.577 10.146 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.962 11.627 3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.924 11.972 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.404 13.541 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.119 13.125 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.748 12.011 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.848 12.407 3.259 1.00 0.00 H new ATOM 1026 N ILE A 65 0.777 8.347 1.989 1.00 0.00 N ATOM 1027 CA ILE A 65 1.519 7.144 2.329 1.00 0.00 C ATOM 1028 C ILE A 65 2.867 7.504 2.936 1.00 0.00 C ATOM 1029 O ILE A 65 3.716 8.094 2.277 1.00 0.00 O ATOM 1030 CB ILE A 65 1.752 6.286 1.066 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.415 6.063 0.366 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.405 4.957 1.454 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.507 5.507 -1.022 1.00 0.00 C ATOM 0 H ILE A 65 0.629 8.461 0.986 1.00 0.00 H new ATOM 0 HA ILE A 65 0.934 6.579 3.054 1.00 0.00 H new ATOM 0 HB ILE A 65 2.425 6.800 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.186 5.385 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.119 7.013 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.567 4.356 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.362 5.150 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.752 4.417 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.495 5.385 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.076 6.191 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.007 4.539 -0.994 1.00 0.00 H new ATOM 1045 N ASP A 66 3.047 7.182 4.185 1.00 0.00 N ATOM 1046 CA ASP A 66 4.297 7.456 4.858 1.00 0.00 C ATOM 1047 C ASP A 66 5.058 6.176 5.101 1.00 0.00 C ATOM 1048 O ASP A 66 4.521 5.221 5.660 1.00 0.00 O ATOM 1049 CB ASP A 66 4.064 8.184 6.165 1.00 0.00 C ATOM 1050 CG ASP A 66 5.357 8.425 6.920 1.00 0.00 C ATOM 1051 OD1 ASP A 66 6.321 8.942 6.321 1.00 0.00 O ATOM 1052 OD2 ASP A 66 5.444 8.079 8.108 1.00 0.00 O ATOM 0 H ASP A 66 2.343 6.727 4.766 1.00 0.00 H new ATOM 0 HA ASP A 66 4.892 8.101 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.577 9.139 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.384 7.603 6.787 1.00 0.00 H new ATOM 1057 N ASN A 67 6.291 6.154 4.684 1.00 0.00 N ATOM 1058 CA ASN A 67 7.124 4.965 4.786 1.00 0.00 C ATOM 1059 C ASN A 67 8.260 5.170 5.760 1.00 0.00 C ATOM 1060 O ASN A 67 9.119 4.302 5.892 1.00 0.00 O ATOM 1061 CB ASN A 67 7.749 4.667 3.438 1.00 0.00 C ATOM 1062 CG ASN A 67 6.768 4.352 2.354 1.00 0.00 C ATOM 1063 OD1 ASN A 67 6.557 3.110 2.128 1.00 0.00 O flip ATOM 1064 ND2 ASN A 67 6.236 5.233 1.698 1.00 0.00 N flip ATOM 0 H ASN A 67 6.759 6.956 4.261 1.00 0.00 H new ATOM 0 HA ASN A 67 6.485 4.150 5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.346 5.525 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.433 3.825 3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.429 6.212 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.598 4.990 0.940 1.00 0.00 H new ATOM 1071 N SER A 68 8.256 6.300 6.450 1.00 0.00 N ATOM 1072 CA SER A 68 9.351 6.689 7.338 1.00 0.00 C ATOM 1073 C SER A 68 9.696 5.598 8.394 1.00 0.00 C ATOM 1074 O SER A 68 10.869 5.409 8.740 1.00 0.00 O ATOM 1075 CB SER A 68 9.013 8.025 8.000 1.00 0.00 C ATOM 1076 OG SER A 68 10.125 8.591 8.677 1.00 0.00 O ATOM 0 H SER A 68 7.494 6.977 6.413 1.00 0.00 H new ATOM 0 HA SER A 68 10.250 6.801 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.659 8.724 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.196 7.881 8.707 1.00 0.00 H new ATOM 0 HG SER A 68 9.862 9.443 9.083 1.00 0.00 H new ATOM 1082 N GLY A 69 8.693 4.851 8.846 1.00 0.00 N ATOM 1083 CA GLY A 69 8.915 3.813 9.849 1.00 0.00 C ATOM 1084 C GLY A 69 9.611 2.582 9.278 1.00 0.00 C ATOM 1085 O GLY A 69 10.137 1.749 10.017 1.00 0.00 O ATOM 0 H GLY A 69 7.725 4.943 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.516 4.221 10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.958 3.518 10.278 1.00 0.00 H new ATOM 1089 N LEU A 70 9.640 2.482 7.958 1.00 0.00 N ATOM 1090 CA LEU A 70 10.264 1.348 7.272 1.00 0.00 C ATOM 1091 C LEU A 70 11.721 1.658 7.020 1.00 0.00 C ATOM 1092 O LEU A 70 12.537 0.774 6.706 1.00 0.00 O ATOM 1093 CB LEU A 70 9.613 1.135 5.906 1.00 0.00 C ATOM 1094 CG LEU A 70 8.103 0.996 5.863 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.655 0.839 4.432 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.651 -0.180 6.690 1.00 0.00 C ATOM 0 H LEU A 70 9.236 3.177 7.330 1.00 0.00 H new ATOM 0 HA LEU A 70 10.145 0.463 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.892 1.972 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.046 0.238 5.463 1.00 0.00 H new ATOM 0 HG LEU A 70 7.652 1.894 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.570 0.739 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.956 1.716 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.115 -0.051 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.565 -0.261 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.099 -1.093 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.961 -0.038 7.725 1.00 0.00 H new ATOM 1108 N LEU A 71 12.041 2.903 7.146 1.00 0.00 N ATOM 1109 CA LEU A 71 13.337 3.372 6.799 1.00 0.00 C ATOM 1110 C LEU A 71 14.317 3.234 7.944 1.00 0.00 C ATOM 1111 O LEU A 71 13.921 3.080 9.104 1.00 0.00 O ATOM 1112 CB LEU A 71 13.261 4.810 6.321 1.00 0.00 C ATOM 1113 CG LEU A 71 12.310 5.056 5.150 1.00 0.00 C ATOM 1114 CD1 LEU A 71 12.317 6.502 4.779 1.00 0.00 C ATOM 1115 CD2 LEU A 71 12.691 4.207 3.946 1.00 0.00 C ATOM 0 H LEU A 71 11.408 3.624 7.493 1.00 0.00 H new ATOM 0 HA LEU A 71 13.710 2.748 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.953 5.438 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.261 5.133 6.031 1.00 0.00 H new ATOM 0 HG LEU A 71 11.306 4.770 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.636 6.667 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.995 7.098 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.325 6.798 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.997 4.403 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.704 4.457 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.645 3.152 4.216 1.00 0.00 H new ATOM 1127 N LYS A 72 15.581 3.279 7.609 1.00 0.00 N ATOM 1128 CA LYS A 72 16.653 3.197 8.570 1.00 0.00 C ATOM 1129 C LYS A 72 17.032 4.595 8.989 1.00 0.00 C ATOM 1130 O LYS A 72 16.393 5.580 8.594 1.00 0.00 O ATOM 1131 CB LYS A 72 17.900 2.570 7.940 1.00 0.00 C ATOM 1132 CG LYS A 72 17.703 1.219 7.329 1.00 0.00 C ATOM 1133 CD LYS A 72 18.993 0.697 6.730 1.00 0.00 C ATOM 1134 CE LYS A 72 19.988 0.276 7.794 1.00 0.00 C ATOM 1135 NZ LYS A 72 21.218 -0.298 7.205 1.00 0.00 N ATOM 0 H LYS A 72 15.900 3.375 6.645 1.00 0.00 H new ATOM 0 HA LYS A 72 16.314 2.593 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.276 3.246 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.673 2.494 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.343 0.523 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.936 1.274 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.774 -0.152 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.439 1.469 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.248 1.138 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.525 -0.458 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.630 -0.988 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.985 -0.772 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.905 0.462 7.026 1.00 0.00 H new ATOM 1180 N ALA A 76 16.309 8.791 3.286 1.00 0.00 N ATOM 1181 CA ALA A 76 14.893 8.470 3.241 1.00 0.00 C ATOM 1182 C ALA A 76 14.610 7.416 2.194 1.00 0.00 C ATOM 1183 O ALA A 76 13.474 7.105 1.877 1.00 0.00 O ATOM 1184 CB ALA A 76 14.104 9.697 2.933 1.00 0.00 C ATOM 0 HA ALA A 76 14.602 8.080 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.043 9.449 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.278 10.445 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.413 10.095 1.967 1.00 0.00 H new ATOM 1190 N GLN A 77 15.649 6.917 1.624 1.00 0.00 N ATOM 1191 CA GLN A 77 15.559 5.875 0.631 1.00 0.00 C ATOM 1192 C GLN A 77 16.205 4.656 1.193 1.00 0.00 C ATOM 1193 O GLN A 77 16.236 3.588 0.575 1.00 0.00 O ATOM 1194 CB GLN A 77 16.305 6.329 -0.587 1.00 0.00 C ATOM 1195 CG GLN A 77 15.856 7.684 -1.033 1.00 0.00 C ATOM 1196 CD GLN A 77 14.515 7.662 -1.755 1.00 0.00 C ATOM 1197 OE1 GLN A 77 14.452 7.546 -2.979 1.00 0.00 O ATOM 1198 NE2 GLN A 77 13.441 7.720 -1.005 1.00 0.00 N ATOM 0 H GLN A 77 16.603 7.216 1.828 1.00 0.00 H new ATOM 0 HA GLN A 77 14.524 5.659 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.374 6.351 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.156 5.612 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.784 8.340 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.611 8.111 -1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.530 7.816 0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.517 7.669 -1.433 1.00 0.00 H new ATOM 1207 N SER A 78 16.712 4.819 2.374 1.00 0.00 N ATOM 1208 CA SER A 78 17.405 3.756 3.034 1.00 0.00 C ATOM 1209 C SER A 78 16.429 3.023 3.916 1.00 0.00 C ATOM 1210 O SER A 78 16.006 3.534 4.942 1.00 0.00 O ATOM 1211 CB SER A 78 18.567 4.304 3.842 1.00 0.00 C ATOM 1212 OG SER A 78 19.418 5.104 3.022 1.00 0.00 O ATOM 0 H SER A 78 16.658 5.687 2.906 1.00 0.00 H new ATOM 0 HA SER A 78 17.816 3.064 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.190 4.900 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.137 3.481 4.273 1.00 0.00 H new ATOM 0 HG SER A 78 20.160 5.450 3.560 1.00 0.00 H new ATOM 1218 N LEU A 79 16.062 1.854 3.507 1.00 0.00 N ATOM 1219 CA LEU A 79 15.064 1.103 4.191 1.00 0.00 C ATOM 1220 C LEU A 79 15.688 -0.062 4.919 1.00 0.00 C ATOM 1221 O LEU A 79 16.777 -0.508 4.543 1.00 0.00 O ATOM 1222 CB LEU A 79 13.991 0.668 3.215 1.00 0.00 C ATOM 1223 CG LEU A 79 14.302 -0.505 2.350 1.00 0.00 C ATOM 1224 CD1 LEU A 79 13.673 -1.725 2.960 1.00 0.00 C ATOM 1225 CD2 LEU A 79 13.803 -0.253 0.978 1.00 0.00 C ATOM 0 H LEU A 79 16.448 1.391 2.684 1.00 0.00 H new ATOM 0 HA LEU A 79 14.587 1.728 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.088 0.441 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.757 1.514 2.568 1.00 0.00 H new ATOM 0 HG LEU A 79 15.378 -0.667 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.890 -2.595 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.078 -1.882 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.594 -1.585 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.030 -1.111 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.724 -0.098 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.287 0.636 0.572 1.00 0.00 H new ATOM 1237 N LYS A 80 15.034 -0.528 5.970 1.00 0.00 N ATOM 1238 CA LYS A 80 15.527 -1.656 6.739 1.00 0.00 C ATOM 1239 C LYS A 80 15.506 -2.931 5.911 1.00 0.00 C ATOM 1240 O LYS A 80 14.461 -3.455 5.553 1.00 0.00 O ATOM 1241 CB LYS A 80 14.780 -1.787 8.064 1.00 0.00 C ATOM 1242 CG LYS A 80 15.138 -0.690 9.058 1.00 0.00 C ATOM 1243 CD LYS A 80 14.259 -0.711 10.306 1.00 0.00 C ATOM 1244 CE LYS A 80 12.822 -0.312 9.986 1.00 0.00 C ATOM 1245 NZ LYS A 80 11.954 -0.307 11.183 1.00 0.00 N ATOM 0 H LYS A 80 14.155 -0.139 6.311 1.00 0.00 H new ATOM 0 HA LYS A 80 16.571 -1.474 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.707 -1.762 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.003 -2.758 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.182 -0.800 9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.045 0.280 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.271 -1.709 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.669 -0.030 11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.816 0.680 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.413 -1.002 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.175 0.367 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.565 -1.260 11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.511 -0.025 12.015 1.00 0.00 H new ATOM 1259 N GLU A 81 16.680 -3.403 5.622 1.00 0.00 N ATOM 1260 CA GLU A 81 16.931 -4.518 4.730 1.00 0.00 C ATOM 1261 C GLU A 81 16.265 -5.812 5.198 1.00 0.00 C ATOM 1262 O GLU A 81 15.911 -6.663 4.389 1.00 0.00 O ATOM 1263 CB GLU A 81 18.453 -4.754 4.570 1.00 0.00 C ATOM 1264 CG GLU A 81 19.289 -3.496 4.279 1.00 0.00 C ATOM 1265 CD GLU A 81 19.774 -2.764 5.536 1.00 0.00 C ATOM 1266 OE1 GLU A 81 18.995 -2.557 6.482 1.00 0.00 O ATOM 1267 OE2 GLU A 81 20.971 -2.422 5.608 1.00 0.00 O ATOM 0 H GLU A 81 17.536 -3.010 6.015 1.00 0.00 H new ATOM 0 HA GLU A 81 16.492 -4.248 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.830 -5.217 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.610 -5.469 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.154 -3.778 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.694 -2.808 3.677 1.00 0.00 H new ATOM 1274 N HIS A 82 16.073 -5.942 6.493 1.00 0.00 N ATOM 1275 CA HIS A 82 15.531 -7.172 7.072 1.00 0.00 C ATOM 1276 C HIS A 82 14.008 -7.133 7.204 1.00 0.00 C ATOM 1277 O HIS A 82 13.406 -7.996 7.851 1.00 0.00 O ATOM 1278 CB HIS A 82 16.189 -7.480 8.428 1.00 0.00 C ATOM 1279 CG HIS A 82 17.675 -7.666 8.335 1.00 0.00 C ATOM 1280 ND1 HIS A 82 18.564 -7.069 9.190 1.00 0.00 N ATOM 1281 CD2 HIS A 82 18.427 -8.370 7.455 1.00 0.00 C ATOM 1282 CE1 HIS A 82 19.789 -7.387 8.843 1.00 0.00 C ATOM 1283 NE2 HIS A 82 19.733 -8.174 7.794 1.00 0.00 N ATOM 0 H HIS A 82 16.282 -5.213 7.175 1.00 0.00 H new ATOM 0 HA HIS A 82 15.771 -7.978 6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.974 -6.667 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.742 -8.382 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 82 18.061 -8.974 6.638 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.691 -7.057 9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.537 -8.574 7.310 1.00 0.00 H new ATOM 1292 N LEU A 83 13.384 -6.158 6.592 1.00 0.00 N ATOM 1293 CA LEU A 83 11.940 -6.042 6.656 1.00 0.00 C ATOM 1294 C LEU A 83 11.265 -7.036 5.724 1.00 0.00 C ATOM 1295 O LEU A 83 11.645 -7.172 4.552 1.00 0.00 O ATOM 1296 CB LEU A 83 11.475 -4.640 6.299 1.00 0.00 C ATOM 1297 CG LEU A 83 11.927 -3.495 7.171 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.251 -2.215 6.727 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.674 -3.763 8.631 1.00 0.00 C ATOM 0 H LEU A 83 13.847 -5.433 6.044 1.00 0.00 H new ATOM 0 HA LEU A 83 11.656 -6.260 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.800 -4.431 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.385 -4.643 6.292 1.00 0.00 H new ATOM 0 HG LEU A 83 13.005 -3.387 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.581 -1.391 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.515 -2.005 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.170 -2.327 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.015 -2.913 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.607 -3.913 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.217 -4.657 8.936 1.00 0.00 H new ATOM 1311 N ILE A 84 10.262 -7.700 6.240 1.00 0.00 N ATOM 1312 CA ILE A 84 9.475 -8.650 5.489 1.00 0.00 C ATOM 1313 C ILE A 84 8.466 -7.860 4.685 1.00 0.00 C ATOM 1314 O ILE A 84 8.255 -6.702 4.981 1.00 0.00 O ATOM 1315 CB ILE A 84 8.766 -9.646 6.463 1.00 0.00 C ATOM 1316 CG1 ILE A 84 9.815 -10.467 7.198 1.00 0.00 C ATOM 1317 CG2 ILE A 84 7.758 -10.573 5.757 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.228 -11.523 8.085 1.00 0.00 C ATOM 0 H ILE A 84 9.963 -7.595 7.210 1.00 0.00 H new ATOM 0 HA ILE A 84 10.102 -9.242 4.822 1.00 0.00 H new ATOM 0 HB ILE A 84 8.188 -9.050 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.473 -10.940 6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.433 -9.800 7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.301 -11.239 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.983 -9.972 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.275 -11.164 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.031 -12.071 8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.593 -11.055 8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.633 -12.212 7.486 1.00 0.00 H new ATOM 1330 N ASP A 85 7.856 -8.479 3.690 1.00 0.00 N ATOM 1331 CA ASP A 85 6.927 -7.834 2.810 1.00 0.00 C ATOM 1332 C ASP A 85 5.649 -7.346 3.517 1.00 0.00 C ATOM 1333 O ASP A 85 5.730 -6.491 4.340 1.00 0.00 O ATOM 1334 CB ASP A 85 6.645 -8.690 1.565 1.00 0.00 C ATOM 1335 CG ASP A 85 6.158 -10.103 1.860 1.00 0.00 C ATOM 1336 OD1 ASP A 85 7.003 -10.981 2.113 1.00 0.00 O ATOM 1337 OD2 ASP A 85 4.921 -10.343 1.848 1.00 0.00 O ATOM 0 H ASP A 85 8.003 -9.465 3.475 1.00 0.00 H new ATOM 0 HA ASP A 85 7.410 -6.921 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.898 -8.183 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.556 -8.751 0.969 1.00 0.00 H new ATOM 1342 N GLU A 86 4.521 -7.967 3.235 1.00 0.00 N ATOM 1343 CA GLU A 86 3.179 -7.665 3.733 1.00 0.00 C ATOM 1344 C GLU A 86 3.136 -7.374 5.262 1.00 0.00 C ATOM 1345 O GLU A 86 2.310 -6.591 5.748 1.00 0.00 O ATOM 1346 CB GLU A 86 2.368 -8.900 3.384 1.00 0.00 C ATOM 1347 CG GLU A 86 1.011 -8.989 3.957 1.00 0.00 C ATOM 1348 CD GLU A 86 0.022 -8.046 3.338 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.570 -8.401 2.289 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -0.239 -6.991 3.904 1.00 0.00 O ATOM 0 H GLU A 86 4.511 -8.764 2.599 1.00 0.00 H new ATOM 0 HA GLU A 86 2.790 -6.752 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.283 -8.955 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.930 -9.777 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.646 -10.009 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.066 -8.790 5.027 1.00 0.00 H new ATOM 1357 N LEU A 87 4.039 -7.979 5.978 1.00 0.00 N ATOM 1358 CA LEU A 87 4.122 -7.840 7.413 1.00 0.00 C ATOM 1359 C LEU A 87 4.643 -6.479 7.802 1.00 0.00 C ATOM 1360 O LEU A 87 3.981 -5.714 8.513 1.00 0.00 O ATOM 1361 CB LEU A 87 5.047 -8.902 7.965 1.00 0.00 C ATOM 1362 CG LEU A 87 4.680 -10.329 7.624 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.489 -11.295 8.458 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.189 -10.568 7.786 1.00 0.00 C ATOM 0 H LEU A 87 4.751 -8.592 5.581 1.00 0.00 H new ATOM 0 HA LEU A 87 3.120 -7.956 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.055 -8.707 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.078 -8.803 9.050 1.00 0.00 H new ATOM 0 HG LEU A 87 4.922 -10.503 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.213 -12.318 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.551 -11.145 8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.288 -11.120 9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.957 -11.603 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.899 -10.373 8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.639 -9.900 7.122 1.00 0.00 H new ATOM 1376 N ASP A 88 5.809 -6.159 7.323 1.00 0.00 N ATOM 1377 CA ASP A 88 6.443 -4.915 7.699 1.00 0.00 C ATOM 1378 C ASP A 88 5.988 -3.797 6.804 1.00 0.00 C ATOM 1379 O ASP A 88 5.859 -2.662 7.234 1.00 0.00 O ATOM 1380 CB ASP A 88 7.984 -5.018 7.706 1.00 0.00 C ATOM 1381 CG ASP A 88 8.544 -5.871 8.832 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.530 -5.427 10.003 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.028 -7.007 8.574 1.00 0.00 O ATOM 0 H ASP A 88 6.344 -6.735 6.673 1.00 0.00 H new ATOM 0 HA ASP A 88 6.135 -4.695 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.314 -5.431 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.404 -4.015 7.781 1.00 0.00 H new ATOM 1388 N TYR A 89 5.655 -4.135 5.590 1.00 0.00 N ATOM 1389 CA TYR A 89 5.291 -3.141 4.589 1.00 0.00 C ATOM 1390 C TYR A 89 4.425 -3.790 3.546 1.00 0.00 C ATOM 1391 O TYR A 89 3.811 -4.777 3.818 1.00 0.00 O ATOM 1392 CB TYR A 89 6.567 -2.511 3.951 1.00 0.00 C ATOM 1393 CG TYR A 89 7.590 -3.472 3.364 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.332 -4.209 2.220 1.00 0.00 C ATOM 1395 CD2 TYR A 89 8.819 -3.628 3.962 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.264 -5.073 1.703 1.00 0.00 C ATOM 1397 CE2 TYR A 89 9.758 -4.490 3.439 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.479 -5.208 2.321 1.00 0.00 C ATOM 1399 OH TYR A 89 10.423 -6.076 1.817 1.00 0.00 O ATOM 0 H TYR A 89 5.625 -5.098 5.256 1.00 0.00 H new ATOM 0 HA TYR A 89 4.732 -2.334 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.250 -1.829 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.064 -1.909 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.378 -4.101 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.051 -3.066 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.041 -5.644 0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.719 -4.595 3.920 1.00 0.00 H new ATOM 0 HH TYR A 89 10.911 -6.494 2.557 1.00 0.00 H new ATOM 1409 N ILE A 90 4.265 -3.187 2.405 1.00 0.00 N ATOM 1410 CA ILE A 90 3.689 -3.897 1.322 1.00 0.00 C ATOM 1411 C ILE A 90 4.485 -3.566 0.129 1.00 0.00 C ATOM 1412 O ILE A 90 5.054 -2.484 0.044 1.00 0.00 O ATOM 1413 CB ILE A 90 2.253 -3.482 0.982 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.448 -2.974 2.190 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.564 -4.653 0.348 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.735 -4.020 2.953 1.00 0.00 C ATOM 0 H ILE A 90 4.523 -2.220 2.210 1.00 0.00 H new ATOM 0 HA ILE A 90 3.678 -4.949 1.605 1.00 0.00 H new ATOM 0 HB ILE A 90 2.307 -2.636 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.126 -2.452 2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.720 -2.242 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.539 -4.380 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.095 -4.940 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.556 -5.491 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.198 -3.562 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.027 -4.528 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.454 -4.742 3.340 1.00 0.00 H new ATOM 1428 N LEU A 91 4.563 -4.490 -0.737 1.00 0.00 N ATOM 1429 CA LEU A 91 5.084 -4.280 -1.983 1.00 0.00 C ATOM 1430 C LEU A 91 3.985 -4.282 -2.979 1.00 0.00 C ATOM 1431 O LEU A 91 3.167 -5.206 -3.017 1.00 0.00 O ATOM 1432 CB LEU A 91 6.183 -5.245 -2.257 1.00 0.00 C ATOM 1433 CG LEU A 91 7.470 -4.713 -1.714 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.496 -5.722 -1.669 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.929 -3.619 -2.573 1.00 0.00 C ATOM 0 H LEU A 91 4.248 -5.446 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 91 5.553 -3.298 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.956 -6.208 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.272 -5.414 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 91 7.287 -4.370 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.413 -5.291 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.171 -6.543 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.681 -6.097 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.868 -3.222 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.082 -3.991 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.179 -2.828 -2.587 1.00 0.00 H new ATOM 1447 N LEU A 92 3.902 -3.221 -3.695 1.00 0.00 N ATOM 1448 CA LEU A 92 2.890 -3.012 -4.681 1.00 0.00 C ATOM 1449 C LEU A 92 3.603 -2.877 -5.995 1.00 0.00 C ATOM 1450 O LEU A 92 4.686 -2.339 -6.017 1.00 0.00 O ATOM 1451 CB LEU A 92 2.227 -1.674 -4.408 1.00 0.00 C ATOM 1452 CG LEU A 92 1.806 -1.380 -2.977 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.610 0.094 -2.864 1.00 0.00 C ATOM 1454 CD2 LEU A 92 0.515 -2.088 -2.607 1.00 0.00 C ATOM 0 H LEU A 92 4.557 -2.443 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 92 2.159 -3.820 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.912 -0.888 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.343 -1.601 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 92 2.578 -1.740 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.306 0.344 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.544 0.604 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.836 0.413 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.252 -1.850 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.284 -1.758 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.649 -3.165 -2.708 1.00 0.00 H new ATOM 1466 N PRO A 93 3.027 -3.317 -7.101 1.00 0.00 N ATOM 1467 CA PRO A 93 3.636 -3.138 -8.411 1.00 0.00 C ATOM 1468 C PRO A 93 3.547 -1.675 -8.774 1.00 0.00 C ATOM 1469 O PRO A 93 2.866 -0.910 -8.041 1.00 0.00 O ATOM 1470 CB PRO A 93 2.748 -3.958 -9.335 1.00 0.00 C ATOM 1471 CG PRO A 93 1.435 -3.922 -8.691 1.00 0.00 C ATOM 1472 CD PRO A 93 1.719 -3.974 -7.202 1.00 0.00 C ATOM 0 HA PRO A 93 4.682 -3.441 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.713 -3.530 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.114 -4.980 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.891 -3.015 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.820 -4.766 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.957 -3.450 -6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.751 -4.998 -6.831 1.00 0.00 H new ATOM 1480 N THR A 94 4.232 -1.270 -9.832 1.00 0.00 N ATOM 1481 CA THR A 94 4.197 0.110 -10.311 1.00 0.00 C ATOM 1482 C THR A 94 2.782 0.715 -10.205 1.00 0.00 C ATOM 1483 O THR A 94 2.585 1.737 -9.556 1.00 0.00 O ATOM 1484 CB THR A 94 4.654 0.195 -11.784 1.00 0.00 C ATOM 1485 OG1 THR A 94 6.024 -0.261 -11.935 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.476 1.617 -12.312 1.00 0.00 C ATOM 0 H THR A 94 4.829 -1.885 -10.385 1.00 0.00 H new ATOM 0 HA THR A 94 4.878 0.677 -9.676 1.00 0.00 H new ATOM 0 HB THR A 94 4.027 -0.469 -12.379 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.063 -1.231 -11.800 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.802 1.663 -13.351 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.425 1.900 -12.248 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.074 2.305 -11.714 1.00 0.00 H new ATOM 1494 N GLU A 95 1.814 0.009 -10.754 1.00 0.00 N ATOM 1495 CA GLU A 95 0.450 0.475 -10.819 1.00 0.00 C ATOM 1496 C GLU A 95 -0.257 0.453 -9.498 1.00 0.00 C ATOM 1497 O GLU A 95 -1.112 1.277 -9.262 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.289 -0.324 -11.833 1.00 0.00 C ATOM 1499 CG GLU A 95 0.357 -0.205 -13.166 1.00 0.00 C ATOM 1500 CD GLU A 95 0.340 1.225 -13.661 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.652 1.618 -14.317 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.279 1.997 -13.376 1.00 0.00 O ATOM 0 H GLU A 95 1.957 -0.911 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 95 0.478 1.524 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.317 -1.370 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.322 0.019 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.386 -0.559 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.159 -0.845 -13.881 1.00 0.00 H new ATOM 1509 N GLY A 96 0.099 -0.475 -8.641 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.503 -0.533 -7.345 1.00 0.00 C ATOM 1511 C GLY A 96 -0.178 0.721 -6.596 1.00 0.00 C ATOM 1512 O GLY A 96 -1.067 1.470 -6.217 1.00 0.00 O ATOM 0 H GLY A 96 0.800 -1.193 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.583 -0.646 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.137 -1.402 -6.799 1.00 0.00 H new ATOM 1516 N TRP A 97 1.105 0.994 -6.498 1.00 0.00 N ATOM 1517 CA TRP A 97 1.628 2.169 -5.838 1.00 0.00 C ATOM 1518 C TRP A 97 1.083 3.411 -6.488 1.00 0.00 C ATOM 1519 O TRP A 97 0.582 4.298 -5.816 1.00 0.00 O ATOM 1520 CB TRP A 97 3.124 2.135 -6.001 1.00 0.00 C ATOM 1521 CG TRP A 97 3.833 3.349 -5.521 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.360 4.324 -6.294 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.099 3.706 -4.174 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.964 5.268 -5.512 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.813 4.906 -4.190 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.800 3.116 -2.960 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.238 5.523 -3.020 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.206 3.710 -1.813 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.922 4.903 -1.835 1.00 0.00 C ATOM 0 H TRP A 97 1.830 0.390 -6.885 1.00 0.00 H new ATOM 0 HA TRP A 97 1.343 2.179 -4.786 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.514 1.269 -5.466 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.357 1.989 -7.056 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.311 4.353 -7.372 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.446 6.101 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.247 2.189 -2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.793 6.450 -3.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.970 3.250 -0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.235 5.350 -0.903 1.00 0.00 H new ATOM 1540 N ASN A 98 1.193 3.440 -7.806 1.00 0.00 N ATOM 1541 CA ASN A 98 0.727 4.515 -8.651 1.00 0.00 C ATOM 1542 C ASN A 98 -0.696 4.886 -8.285 1.00 0.00 C ATOM 1543 O ASN A 98 -1.004 6.046 -8.160 1.00 0.00 O ATOM 1544 CB ASN A 98 0.749 4.040 -10.094 1.00 0.00 C ATOM 1545 CG ASN A 98 1.141 5.078 -11.094 1.00 0.00 C ATOM 1546 OD1 ASN A 98 0.929 6.276 -10.909 1.00 0.00 O ATOM 1547 ND2 ASN A 98 1.695 4.613 -12.190 1.00 0.00 N ATOM 0 H ASN A 98 1.628 2.682 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 98 1.371 5.384 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.440 3.201 -10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.241 3.664 -10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.970 5.254 -12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.850 3.611 -12.297 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.555 3.888 -8.081 1.00 0.00 N ATOM 1555 CA LYS A 99 -2.910 4.118 -7.712 1.00 0.00 C ATOM 1556 C LYS A 99 -3.010 4.709 -6.356 1.00 0.00 C ATOM 1557 O LYS A 99 -3.605 5.754 -6.210 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.683 2.847 -7.818 1.00 0.00 C ATOM 1559 CG LYS A 99 -3.912 2.473 -9.242 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.481 1.111 -9.384 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.437 0.689 -10.830 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.305 1.525 -11.677 1.00 0.00 N ATOM 0 H LYS A 99 -1.309 2.902 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.342 4.844 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.143 2.047 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.641 2.957 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.587 3.196 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.969 2.528 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.918 0.406 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.509 1.097 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.411 0.748 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.745 -0.353 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.284 1.169 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.280 1.490 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.965 2.508 -11.660 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.373 4.096 -5.371 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.425 4.617 -4.022 1.00 0.00 C ATOM 1578 C LEU A 100 -1.873 6.034 -3.934 1.00 0.00 C ATOM 1579 O LEU A 100 -2.391 6.879 -3.207 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.737 3.670 -3.036 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.479 2.371 -2.701 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -3.941 2.486 -2.991 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -1.894 1.194 -3.398 1.00 0.00 C ATOM 0 H LEU A 100 -1.820 3.246 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.475 4.677 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.759 3.409 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.564 4.213 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.357 2.209 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.436 1.547 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.368 3.291 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.086 2.703 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.453 0.297 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.948 1.346 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.852 1.075 -3.100 1.00 0.00 H new ATOM 1595 N VAL A 101 -0.891 6.298 -4.728 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.286 7.571 -4.803 1.00 0.00 C ATOM 1597 C VAL A 101 -1.133 8.565 -5.624 1.00 0.00 C ATOM 1598 O VAL A 101 -1.102 9.756 -5.387 1.00 0.00 O ATOM 1599 CB VAL A 101 1.157 7.443 -5.317 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.690 8.752 -5.781 1.00 0.00 C ATOM 1601 CG2 VAL A 101 2.031 6.913 -4.211 1.00 0.00 C ATOM 0 H VAL A 101 -0.480 5.609 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.238 7.992 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 101 1.157 6.758 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.712 8.623 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.068 9.131 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.681 9.462 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.056 6.820 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.004 7.600 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.667 5.935 -3.896 1.00 0.00 H new ATOM 1611 N SER A 102 -1.906 8.088 -6.541 1.00 0.00 N ATOM 1612 CA SER A 102 -2.763 8.952 -7.274 1.00 0.00 C ATOM 1613 C SER A 102 -3.983 9.275 -6.427 1.00 0.00 C ATOM 1614 O SER A 102 -4.506 10.379 -6.464 1.00 0.00 O ATOM 1615 CB SER A 102 -3.159 8.284 -8.566 1.00 0.00 C ATOM 1616 OG SER A 102 -2.030 8.090 -9.410 1.00 0.00 O ATOM 0 H SER A 102 -1.961 7.103 -6.800 1.00 0.00 H new ATOM 0 HA SER A 102 -2.250 9.883 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.627 7.323 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.902 8.893 -9.081 1.00 0.00 H new ATOM 0 HG SER A 102 -1.383 7.505 -8.962 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.371 8.323 -5.612 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.525 8.463 -4.791 1.00 0.00 C ATOM 1624 C TRP A 103 -5.248 9.294 -3.536 1.00 0.00 C ATOM 1625 O TRP A 103 -5.991 10.235 -3.234 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.092 7.084 -4.430 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.547 6.252 -5.617 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.883 6.697 -6.861 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.681 4.832 -5.661 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.336 5.655 -7.639 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.176 4.487 -6.935 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.455 3.827 -4.739 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.432 3.164 -7.302 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.697 2.524 -5.099 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.181 2.200 -6.373 1.00 0.00 C ATOM 0 H TRP A 103 -3.886 7.432 -5.508 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.273 9.009 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.332 6.526 -3.883 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.936 7.219 -3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.805 7.723 -7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.724 5.737 -8.579 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.093 4.063 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.813 2.916 -8.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.511 1.734 -4.386 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.359 1.165 -6.624 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.187 8.961 -2.813 1.00 0.00 N ATOM 1647 CA TYR A 104 -3.895 9.626 -1.546 1.00 0.00 C ATOM 1648 C TYR A 104 -2.469 10.123 -1.436 1.00 0.00 C ATOM 1649 O TYR A 104 -2.093 10.692 -0.409 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.259 8.704 -0.377 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.756 8.574 -0.217 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.485 9.555 0.444 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.450 7.507 -0.774 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.856 9.478 0.541 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.821 7.419 -0.670 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.519 8.410 -0.015 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.896 8.358 0.045 1.00 0.00 O ATOM 0 H TYR A 104 -3.517 8.239 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.515 10.522 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.823 7.719 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.827 9.095 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.967 10.392 0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.906 6.734 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.408 10.253 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.345 6.578 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.190 7.424 0.005 1.00 0.00 H new ATOM 1667 N THR A 105 -1.722 9.984 -2.527 1.00 0.00 N ATOM 1668 CA THR A 105 -0.317 10.324 -2.649 1.00 0.00 C ATOM 1669 C THR A 105 0.579 9.776 -1.555 1.00 0.00 C ATOM 1670 O THR A 105 0.194 9.008 -0.673 1.00 0.00 O ATOM 1671 CB THR A 105 -0.031 11.856 -2.993 1.00 0.00 C ATOM 1672 OG1 THR A 105 1.363 12.118 -3.344 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.479 12.798 -1.911 1.00 0.00 C ATOM 0 H THR A 105 -2.106 9.610 -3.395 1.00 0.00 H new ATOM 0 HA THR A 105 -0.017 9.774 -3.541 1.00 0.00 H new ATOM 0 HB THR A 105 -0.637 12.052 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.797 12.610 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.256 13.823 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.553 12.690 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.046 12.565 -0.985 1.00 0.00 H new ATOM 1681 N LEU A 106 1.742 10.156 -1.678 1.00 0.00 N ATOM 1682 CA LEU A 106 2.827 9.773 -0.889 1.00 0.00 C ATOM 1683 C LEU A 106 3.138 10.927 0.036 1.00 0.00 C ATOM 1684 O LEU A 106 2.762 12.068 -0.256 1.00 0.00 O ATOM 1685 CB LEU A 106 3.964 9.519 -1.863 1.00 0.00 C ATOM 1686 CG LEU A 106 5.354 9.334 -1.307 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.465 8.110 -0.426 1.00 0.00 C ATOM 1688 CD2 LEU A 106 6.352 9.293 -2.420 1.00 0.00 C ATOM 0 H LEU A 106 2.012 10.816 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 106 2.647 8.885 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.715 8.628 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.994 10.354 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 106 5.571 10.192 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.485 8.023 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.777 8.203 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.214 7.221 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.352 9.159 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.120 8.462 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.312 10.228 -2.979 1.00 0.00 H new ATOM 1700 N MET A 107 3.768 10.653 1.151 1.00 0.00 N ATOM 1701 CA MET A 107 4.124 11.623 2.045 1.00 0.00 C ATOM 1702 C MET A 107 5.205 12.475 1.479 1.00 0.00 C ATOM 1703 O MET A 107 6.210 11.999 0.948 1.00 0.00 O ATOM 1704 CB MET A 107 4.553 10.934 3.252 1.00 0.00 C ATOM 1705 CG MET A 107 5.307 11.725 4.205 1.00 0.00 C ATOM 1706 SD MET A 107 4.366 13.040 4.991 1.00 0.00 S ATOM 1707 CE MET A 107 3.176 12.063 5.895 1.00 0.00 C ATOM 0 H MET A 107 4.036 9.710 1.431 1.00 0.00 H new ATOM 0 HA MET A 107 3.292 12.291 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 107 3.669 10.541 3.755 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.161 10.077 2.960 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.699 11.064 4.978 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.165 12.164 3.696 1.00 0.00 H new ATOM 0 HE1 MET A 107 2.660 12.695 6.617 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.451 11.639 5.201 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.690 11.258 6.420 1.00 0.00 H new ATOM 1717 N GLU A 108 4.971 13.696 1.622 1.00 0.00 N ATOM 1718 CA GLU A 108 5.757 14.741 1.129 1.00 0.00 C ATOM 1719 C GLU A 108 7.125 14.740 1.765 1.00 0.00 C ATOM 1720 O GLU A 108 7.283 14.464 2.964 1.00 0.00 O ATOM 1721 CB GLU A 108 4.961 15.964 1.408 1.00 0.00 C ATOM 1722 CG GLU A 108 4.969 16.442 2.849 1.00 0.00 C ATOM 1723 CD GLU A 108 3.914 17.479 3.106 1.00 0.00 C ATOM 1724 OE1 GLU A 108 2.740 17.102 3.245 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.219 18.681 3.162 1.00 0.00 O ATOM 0 H GLU A 108 4.153 14.031 2.131 1.00 0.00 H new ATOM 0 HA GLU A 108 5.969 14.658 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.334 16.770 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.928 15.778 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.811 15.592 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.949 16.855 3.088 1.00 0.00 H new ATOM 1732 N GLY A 109 8.106 14.947 0.950 1.00 0.00 N ATOM 1733 CA GLY A 109 9.439 14.976 1.426 1.00 0.00 C ATOM 1734 C GLY A 109 10.121 13.632 1.320 1.00 0.00 C ATOM 1735 O GLY A 109 11.344 13.539 1.393 1.00 0.00 O ATOM 0 H GLY A 109 8.003 15.099 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.007 15.714 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.443 15.301 2.467 1.00 0.00 H new ATOM 1739 N GLN A 110 9.341 12.593 1.174 1.00 0.00 N ATOM 1740 CA GLN A 110 9.797 11.314 1.072 1.00 0.00 C ATOM 1741 C GLN A 110 9.469 10.825 -0.330 1.00 0.00 C ATOM 1742 O GLN A 110 8.347 10.971 -0.784 1.00 0.00 O ATOM 1743 CB GLN A 110 9.045 10.566 2.131 1.00 0.00 C ATOM 1744 CG GLN A 110 9.217 9.127 2.099 1.00 0.00 C ATOM 1745 CD GLN A 110 8.710 8.458 3.344 1.00 0.00 C ATOM 1746 OE1 GLN A 110 9.207 7.434 3.754 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.730 9.033 3.955 1.00 0.00 N ATOM 0 H GLN A 110 8.325 12.666 1.125 1.00 0.00 H new ATOM 0 HA GLN A 110 10.871 11.193 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.359 10.933 3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.984 10.793 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 110 8.693 8.721 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 110 10.274 8.894 1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.333 9.896 3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.352 8.625 4.810 1.00 0.00 H new ATOM 1756 N GLU A 111 10.453 10.329 -1.021 1.00 0.00 N ATOM 1757 CA GLU A 111 10.293 9.841 -2.355 1.00 0.00 C ATOM 1758 C GLU A 111 10.144 8.317 -2.318 1.00 0.00 C ATOM 1759 O GLU A 111 10.661 7.682 -1.406 1.00 0.00 O ATOM 1760 CB GLU A 111 11.495 10.259 -3.205 1.00 0.00 C ATOM 1761 CG GLU A 111 11.667 11.766 -3.329 1.00 0.00 C ATOM 1762 CD GLU A 111 10.494 12.457 -3.989 1.00 0.00 C ATOM 1763 OE1 GLU A 111 10.401 12.425 -5.227 1.00 0.00 O ATOM 1764 OE2 GLU A 111 9.672 13.086 -3.293 1.00 0.00 O ATOM 0 H GLU A 111 11.406 10.252 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 111 9.397 10.267 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.400 9.834 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.389 9.832 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.815 12.189 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.570 11.974 -3.902 1.00 0.00 H new ATOM 1771 N PRO A 112 9.460 7.730 -3.323 1.00 0.00 N ATOM 1772 CA PRO A 112 9.126 6.297 -3.376 1.00 0.00 C ATOM 1773 C PRO A 112 10.243 5.358 -3.101 1.00 0.00 C ATOM 1774 O PRO A 112 11.343 5.411 -3.696 1.00 0.00 O ATOM 1775 CB PRO A 112 8.554 6.085 -4.761 1.00 0.00 C ATOM 1776 CG PRO A 112 8.091 7.426 -5.198 1.00 0.00 C ATOM 1777 CD PRO A 112 8.965 8.433 -4.507 1.00 0.00 C ATOM 0 HA PRO A 112 8.429 6.064 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.307 5.687 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.731 5.371 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.166 7.527 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.044 7.578 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.784 8.756 -5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.403 9.326 -4.233 1.00 0.00 H new ATOM 1785 N ILE A 113 9.925 4.485 -2.212 1.00 0.00 N ATOM 1786 CA ILE A 113 10.765 3.484 -1.755 1.00 0.00 C ATOM 1787 C ILE A 113 10.483 2.282 -2.626 1.00 0.00 C ATOM 1788 O ILE A 113 9.396 1.712 -2.566 1.00 0.00 O ATOM 1789 CB ILE A 113 10.473 3.145 -0.260 1.00 0.00 C ATOM 1790 CG1 ILE A 113 10.674 4.348 0.693 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.347 2.040 0.168 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.622 5.428 0.605 1.00 0.00 C ATOM 0 H ILE A 113 9.007 4.467 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 113 11.809 3.792 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 113 9.422 2.863 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.704 3.977 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.647 4.794 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.146 1.800 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.153 1.163 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.390 2.338 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.857 6.223 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.603 5.836 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.646 5.006 0.844 1.00 0.00 H new ATOM 1804 N ALA A 114 11.405 1.954 -3.470 1.00 0.00 N ATOM 1805 CA ALA A 114 11.187 0.905 -4.440 1.00 0.00 C ATOM 1806 C ALA A 114 12.138 -0.271 -4.303 1.00 0.00 C ATOM 1807 O ALA A 114 13.263 -0.126 -3.841 1.00 0.00 O ATOM 1808 CB ALA A 114 11.304 1.482 -5.824 1.00 0.00 C ATOM 0 H ALA A 114 12.324 2.393 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 114 10.187 0.513 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.141 0.696 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.557 2.264 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.300 1.905 -5.959 1.00 0.00 H new ATOM 1814 N ARG A 115 11.639 -1.431 -4.680 1.00 0.00 N ATOM 1815 CA ARG A 115 12.361 -2.648 -4.800 1.00 0.00 C ATOM 1816 C ARG A 115 11.950 -3.272 -6.066 1.00 0.00 C ATOM 1817 O ARG A 115 10.994 -2.832 -6.682 1.00 0.00 O ATOM 1818 CB ARG A 115 12.118 -3.570 -3.635 1.00 0.00 C ATOM 1819 CG ARG A 115 12.937 -3.181 -2.437 1.00 0.00 C ATOM 1820 CD ARG A 115 12.860 -4.221 -1.387 1.00 0.00 C ATOM 1821 NE ARG A 115 13.852 -3.978 -0.333 1.00 0.00 N ATOM 1822 CZ ARG A 115 14.148 -4.807 0.672 1.00 0.00 C ATOM 1823 NH1 ARG A 115 13.383 -5.851 0.927 1.00 0.00 N ATOM 1824 NH2 ARG A 115 15.208 -4.561 1.439 1.00 0.00 N ATOM 0 H ARG A 115 10.654 -1.538 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 115 13.432 -2.445 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.060 -3.554 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 115 12.359 -4.593 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 115 13.976 -3.033 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 115 12.580 -2.230 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 115 11.860 -4.233 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.027 -5.203 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 115 14.362 -3.096 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 115 12.558 -6.031 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 115 13.617 -6.479 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 115 15.790 -3.743 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 115 15.438 -5.191 2.208 1.00 0.00 H new ATOM 1838 N LYS A 116 12.638 -4.235 -6.503 1.00 0.00 N ATOM 1839 CA LYS A 116 12.246 -4.850 -7.711 1.00 0.00 C ATOM 1840 C LYS A 116 11.529 -6.129 -7.448 1.00 0.00 C ATOM 1841 O LYS A 116 11.385 -6.517 -6.279 1.00 0.00 O ATOM 1842 CB LYS A 116 13.392 -4.966 -8.689 1.00 0.00 C ATOM 1843 CG LYS A 116 13.709 -3.638 -9.355 1.00 0.00 C ATOM 1844 CD LYS A 116 14.608 -3.796 -10.561 1.00 0.00 C ATOM 1845 CE LYS A 116 14.799 -2.455 -11.242 1.00 0.00 C ATOM 1846 NZ LYS A 116 15.548 -2.560 -12.505 1.00 0.00 N ATOM 0 H LYS A 116 13.470 -4.621 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 116 11.526 -4.202 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.277 -5.331 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.144 -5.704 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.780 -3.156 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.188 -2.978 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.573 -4.199 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.171 -4.510 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.824 -2.010 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.326 -1.781 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.650 -1.615 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.490 -2.959 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.034 -3.180 -13.163 1.00 0.00 H new ATOM 1860 N VAL A 117 11.041 -6.755 -8.510 1.00 0.00 N ATOM 1861 CA VAL A 117 10.248 -7.969 -8.410 1.00 0.00 C ATOM 1862 C VAL A 117 10.881 -9.002 -7.498 1.00 0.00 C ATOM 1863 O VAL A 117 12.087 -9.290 -7.547 1.00 0.00 O ATOM 1864 CB VAL A 117 9.934 -8.605 -9.775 1.00 0.00 C ATOM 1865 CG1 VAL A 117 9.053 -9.824 -9.626 1.00 0.00 C ATOM 1866 CG2 VAL A 117 9.295 -7.619 -10.705 1.00 0.00 C ATOM 0 H VAL A 117 11.185 -6.433 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 117 9.305 -7.647 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 117 10.885 -8.918 -10.206 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.850 -10.249 -10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.559 -10.565 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 117 8.113 -9.538 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.087 -8.102 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.363 -7.259 -10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 117 9.970 -6.778 -10.863 1.00 0.00 H new