USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 940 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 89:sc= 0.124 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -85:sc= 0.382 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.581! F(o=-1.2,f=-0.58!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= -0.178 (180deg=-0.772) USER MOD Single : A 38 SER OG : rot -125:sc= -0.34 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -164:sc= -5.55! (180deg=-6.32!) USER MOD Single : A 51 SER OG : rot 96:sc= 0.814 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= -0.0905 (180deg=-1.92!) USER MOD Single : A 60 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 61 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.46) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -107:sc= -1.27! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.95! X(o=-1.9!,f=-2.3) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 67:sc= 0.0593 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 75:sc= 0.75 USER MOD Single : A 105 HIS :FLIP no HE2:sc= -2.83! F(o=-3.7,f=-2.8!) USER MOD Single : A 117 ASN : amide:sc= -0.891 K(o=-0.89,f=-4!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 CYS SG : rot -33:sc= -3.02! USER MOD Single : A 124 LYS NZ :NH3+ 153:sc= -0.0582 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.878 19.162 5.525 1.00 0.00 N ATOM 60 CA GLY A 7 0.234 18.371 6.020 1.00 0.00 C ATOM 61 C GLY A 7 -0.194 17.363 7.068 1.00 0.00 C ATOM 62 O GLY A 7 0.201 16.199 7.017 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.703 17.848 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.988 19.034 6.444 1.00 0.00 H new ATOM 66 N ASN A 8 -1.002 17.811 8.023 1.00 0.00 N ATOM 67 CA ASN A 8 -1.482 16.940 9.090 1.00 0.00 C ATOM 68 C ASN A 8 -2.414 15.866 8.538 1.00 0.00 C ATOM 69 O ASN A 8 -2.371 14.712 8.964 1.00 0.00 O ATOM 70 CB ASN A 8 -2.207 17.760 10.159 1.00 0.00 C ATOM 71 CG ASN A 8 -1.300 18.780 10.820 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.385 18.424 11.563 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.550 20.056 10.552 1.00 0.00 N ATOM 0 H ASN A 8 -1.338 18.772 8.080 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.619 16.450 9.541 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.056 18.272 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.608 17.088 10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.973 20.787 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.319 20.305 9.930 1.00 0.00 H new ATOM 80 N THR A 9 -3.255 16.254 7.584 1.00 0.00 N ATOM 81 CA THR A 9 -4.198 15.325 6.973 1.00 0.00 C ATOM 82 C THR A 9 -3.481 14.103 6.412 1.00 0.00 C ATOM 83 O THR A 9 -3.931 12.970 6.590 1.00 0.00 O ATOM 84 CB THR A 9 -4.999 16.000 5.844 1.00 0.00 C ATOM 85 OG1 THR A 9 -5.632 17.187 6.334 1.00 0.00 O ATOM 86 CG2 THR A 9 -6.049 15.053 5.284 1.00 0.00 C ATOM 0 H THR A 9 -3.302 17.205 7.218 1.00 0.00 H new ATOM 0 HA THR A 9 -4.885 15.010 7.758 1.00 0.00 H new ATOM 0 HB THR A 9 -4.306 16.262 5.044 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.138 17.611 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.602 15.552 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.561 14.164 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.738 14.763 6.078 1.00 0.00 H new ATOM 94 N LEU A 10 -2.362 14.338 5.736 1.00 0.00 N ATOM 95 CA LEU A 10 -1.581 13.255 5.149 1.00 0.00 C ATOM 96 C LEU A 10 -1.020 12.340 6.232 1.00 0.00 C ATOM 97 O LEU A 10 -1.258 11.132 6.223 1.00 0.00 O ATOM 98 CB LEU A 10 -0.440 13.823 4.303 1.00 0.00 C ATOM 99 CG LEU A 10 -0.770 14.114 2.839 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.813 12.824 2.035 1.00 0.00 C ATOM 101 CD2 LEU A 10 -2.092 14.859 2.728 1.00 0.00 C ATOM 0 H LEU A 10 -1.975 15.269 5.581 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.241 12.669 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.095 14.747 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.393 13.121 4.334 1.00 0.00 H new ATOM 0 HG LEU A 10 0.016 14.748 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.049 13.051 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.157 12.330 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.578 12.165 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.311 15.058 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.889 14.251 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.024 15.803 3.269 1.00 0.00 H new ATOM 113 N ARG A 11 -0.275 12.923 7.165 1.00 0.00 N ATOM 114 CA ARG A 11 0.320 12.160 8.256 1.00 0.00 C ATOM 115 C ARG A 11 -0.619 11.048 8.716 1.00 0.00 C ATOM 116 O ARG A 11 -0.289 9.866 8.621 1.00 0.00 O ATOM 117 CB ARG A 11 0.650 13.082 9.431 1.00 0.00 C ATOM 118 CG ARG A 11 1.510 12.424 10.498 1.00 0.00 C ATOM 119 CD ARG A 11 1.684 13.329 11.708 1.00 0.00 C ATOM 120 NE ARG A 11 0.406 13.667 12.328 1.00 0.00 N ATOM 121 CZ ARG A 11 -0.291 12.824 13.081 1.00 0.00 C ATOM 122 NH1 ARG A 11 0.164 11.599 13.307 1.00 0.00 N ATOM 123 NH2 ARG A 11 -1.447 13.205 13.611 1.00 0.00 N ATOM 0 H ARG A 11 -0.069 13.922 7.188 1.00 0.00 H new ATOM 0 HA ARG A 11 1.241 11.707 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.165 13.966 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.280 13.424 9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.052 11.484 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.487 12.180 10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.323 12.836 12.441 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.193 14.244 11.406 1.00 0.00 H new ATOM 0 HE ARG A 11 0.028 14.602 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.052 11.302 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.374 10.954 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.801 14.146 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.981 12.556 14.189 1.00 0.00 H new ATOM 137 N GLU A 12 -1.788 11.436 9.214 1.00 0.00 N ATOM 138 CA GLU A 12 -2.773 10.472 9.690 1.00 0.00 C ATOM 139 C GLU A 12 -3.024 9.390 8.644 1.00 0.00 C ATOM 140 O GLU A 12 -3.221 8.220 8.978 1.00 0.00 O ATOM 141 CB GLU A 12 -4.086 11.178 10.035 1.00 0.00 C ATOM 142 CG GLU A 12 -3.968 12.147 11.199 1.00 0.00 C ATOM 143 CD GLU A 12 -5.272 12.311 11.955 1.00 0.00 C ATOM 144 OE1 GLU A 12 -6.075 13.187 11.572 1.00 0.00 O ATOM 145 OE2 GLU A 12 -5.490 11.563 12.931 1.00 0.00 O ATOM 0 H GLU A 12 -2.076 12.411 9.298 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.376 10.000 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.439 11.719 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.841 10.428 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.197 11.794 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.643 13.119 10.827 1.00 0.00 H new ATOM 152 N LEU A 13 -3.017 9.788 7.376 1.00 0.00 N ATOM 153 CA LEU A 13 -3.245 8.853 6.279 1.00 0.00 C ATOM 154 C LEU A 13 -2.074 7.886 6.137 1.00 0.00 C ATOM 155 O LEU A 13 -2.249 6.669 6.211 1.00 0.00 O ATOM 156 CB LEU A 13 -3.454 9.615 4.970 1.00 0.00 C ATOM 157 CG LEU A 13 -3.897 8.777 3.769 1.00 0.00 C ATOM 158 CD1 LEU A 13 -5.391 8.498 3.835 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.541 9.480 2.468 1.00 0.00 C ATOM 0 H LEU A 13 -2.856 10.751 7.082 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.143 8.277 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.199 10.392 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.522 10.118 4.713 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.368 7.824 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.688 7.901 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.619 7.952 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.938 9.441 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.863 8.870 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.042 10.447 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.462 9.628 2.418 1.00 0.00 H new ATOM 171 N ARG A 14 -0.881 8.434 5.934 1.00 0.00 N ATOM 172 CA ARG A 14 0.319 7.620 5.782 1.00 0.00 C ATOM 173 C ARG A 14 0.379 6.536 6.854 1.00 0.00 C ATOM 174 O ARG A 14 0.612 5.364 6.555 1.00 0.00 O ATOM 175 CB ARG A 14 1.570 8.497 5.858 1.00 0.00 C ATOM 176 CG ARG A 14 2.837 7.792 5.403 1.00 0.00 C ATOM 177 CD ARG A 14 4.049 8.706 5.502 1.00 0.00 C ATOM 178 NE ARG A 14 3.980 9.810 4.549 1.00 0.00 N ATOM 179 CZ ARG A 14 3.339 10.949 4.789 1.00 0.00 C ATOM 180 NH1 ARG A 14 2.715 11.131 5.944 1.00 0.00 N ATOM 181 NH2 ARG A 14 3.322 11.908 3.872 1.00 0.00 N ATOM 0 H ARG A 14 -0.719 9.439 5.871 1.00 0.00 H new ATOM 0 HA ARG A 14 0.280 7.139 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.418 9.385 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.703 8.838 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.999 6.903 6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.717 7.455 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.121 9.104 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.955 8.128 5.322 1.00 0.00 H new ATOM 0 HE ARG A 14 4.449 9.701 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.726 10.396 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.224 12.006 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.801 11.771 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.830 12.782 4.057 1.00 0.00 H new ATOM 195 N LEU A 15 0.168 6.934 8.104 1.00 0.00 N ATOM 196 CA LEU A 15 0.199 5.997 9.221 1.00 0.00 C ATOM 197 C LEU A 15 -1.050 5.122 9.232 1.00 0.00 C ATOM 198 O LEU A 15 -0.972 3.912 9.450 1.00 0.00 O ATOM 199 CB LEU A 15 0.317 6.755 10.545 1.00 0.00 C ATOM 200 CG LEU A 15 1.596 7.569 10.741 1.00 0.00 C ATOM 201 CD1 LEU A 15 1.359 8.708 11.719 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.728 6.674 11.226 1.00 0.00 C ATOM 0 H LEU A 15 -0.026 7.900 8.369 1.00 0.00 H new ATOM 0 HA LEU A 15 1.070 5.353 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.535 7.429 10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.239 6.036 11.360 1.00 0.00 H new ATOM 0 HG LEU A 15 1.883 7.996 9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.280 9.276 11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.579 9.363 11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.047 8.302 12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.631 7.270 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.450 6.218 12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.915 5.893 10.489 1.00 0.00 H new ATOM 214 N PHE A 16 -2.202 5.740 8.994 1.00 0.00 N ATOM 215 CA PHE A 16 -3.468 5.017 8.975 1.00 0.00 C ATOM 216 C PHE A 16 -3.379 3.787 8.077 1.00 0.00 C ATOM 217 O PHE A 16 -3.360 2.653 8.558 1.00 0.00 O ATOM 218 CB PHE A 16 -4.595 5.933 8.493 1.00 0.00 C ATOM 219 CG PHE A 16 -5.844 5.194 8.105 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.390 4.240 8.949 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.471 5.453 6.897 1.00 0.00 C ATOM 222 CE1 PHE A 16 -7.539 3.558 8.593 1.00 0.00 C ATOM 223 CE2 PHE A 16 -7.620 4.775 6.537 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.155 3.826 7.387 1.00 0.00 C ATOM 0 H PHE A 16 -2.285 6.740 8.812 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.685 4.688 9.991 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.835 6.646 9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.243 6.510 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.913 4.027 9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.057 6.194 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.954 2.816 9.258 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.099 4.987 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.053 3.295 7.108 1.00 0.00 H new ATOM 234 N LEU A 17 -3.325 4.018 6.770 1.00 0.00 N ATOM 235 CA LEU A 17 -3.238 2.930 5.803 1.00 0.00 C ATOM 236 C LEU A 17 -2.215 1.888 6.246 1.00 0.00 C ATOM 237 O LEU A 17 -2.553 0.724 6.460 1.00 0.00 O ATOM 238 CB LEU A 17 -2.863 3.475 4.424 1.00 0.00 C ATOM 239 CG LEU A 17 -3.683 4.666 3.927 1.00 0.00 C ATOM 240 CD1 LEU A 17 -3.168 5.144 2.579 1.00 0.00 C ATOM 241 CD2 LEU A 17 -5.157 4.299 3.838 1.00 0.00 C ATOM 0 H LEU A 17 -3.340 4.950 6.355 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.215 2.451 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.813 3.766 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.957 2.667 3.698 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.575 5.481 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.764 5.992 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.126 5.448 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.244 4.335 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.725 5.159 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.284 3.468 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.519 4.007 4.824 1.00 0.00 H new ATOM 253 N ARG A 18 -0.964 2.316 6.383 1.00 0.00 N ATOM 254 CA ARG A 18 0.108 1.421 6.802 1.00 0.00 C ATOM 255 C ARG A 18 -0.346 0.533 7.957 1.00 0.00 C ATOM 256 O ARG A 18 0.075 -0.619 8.070 1.00 0.00 O ATOM 257 CB ARG A 18 1.340 2.226 7.217 1.00 0.00 C ATOM 258 CG ARG A 18 2.652 1.490 6.996 1.00 0.00 C ATOM 259 CD ARG A 18 3.761 2.052 7.872 1.00 0.00 C ATOM 260 NE ARG A 18 4.152 3.398 7.462 1.00 0.00 N ATOM 261 CZ ARG A 18 5.341 3.929 7.725 1.00 0.00 C ATOM 262 NH1 ARG A 18 6.249 3.233 8.394 1.00 0.00 N ATOM 263 NH2 ARG A 18 5.623 5.161 7.319 1.00 0.00 N ATOM 0 H ARG A 18 -0.668 3.277 6.210 1.00 0.00 H new ATOM 0 HA ARG A 18 0.367 0.784 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.359 3.161 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.254 2.489 8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.517 0.430 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.941 1.566 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.429 2.071 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.628 1.393 7.827 1.00 0.00 H new ATOM 0 HE ARG A 18 3.476 3.961 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.036 2.286 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.161 3.644 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.927 5.700 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.536 5.568 7.521 1.00 0.00 H new ATOM 277 N ASP A 19 -1.205 1.076 8.812 1.00 0.00 N ATOM 278 CA ASP A 19 -1.716 0.333 9.958 1.00 0.00 C ATOM 279 C ASP A 19 -2.649 -0.787 9.508 1.00 0.00 C ATOM 280 O ASP A 19 -2.638 -1.882 10.069 1.00 0.00 O ATOM 281 CB ASP A 19 -2.452 1.272 10.915 1.00 0.00 C ATOM 282 CG ASP A 19 -2.510 0.729 12.329 1.00 0.00 C ATOM 283 OD1 ASP A 19 -1.435 0.529 12.932 1.00 0.00 O ATOM 284 OD2 ASP A 19 -3.630 0.503 12.833 1.00 0.00 O ATOM 0 H ASP A 19 -1.562 2.028 8.733 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.868 -0.112 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.955 2.242 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.466 1.436 10.550 1.00 0.00 H new ATOM 289 N VAL A 20 -3.457 -0.505 8.490 1.00 0.00 N ATOM 290 CA VAL A 20 -4.396 -1.488 7.964 1.00 0.00 C ATOM 291 C VAL A 20 -3.663 -2.650 7.304 1.00 0.00 C ATOM 292 O VAL A 20 -3.781 -3.798 7.733 1.00 0.00 O ATOM 293 CB VAL A 20 -5.358 -0.854 6.941 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.105 -1.932 6.171 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.330 0.087 7.636 1.00 0.00 C ATOM 0 H VAL A 20 -3.480 0.397 8.014 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.972 -1.860 8.811 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.772 -0.273 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.780 -1.465 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.391 -2.562 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.681 -2.543 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.002 0.526 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.912 -0.469 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.774 0.879 8.137 1.00 0.00 H new ATOM 305 N THR A 21 -2.904 -2.345 6.256 1.00 0.00 N ATOM 306 CA THR A 21 -2.151 -3.364 5.535 1.00 0.00 C ATOM 307 C THR A 21 -1.280 -4.178 6.484 1.00 0.00 C ATOM 308 O THR A 21 -1.188 -5.400 6.365 1.00 0.00 O ATOM 309 CB THR A 21 -1.259 -2.738 4.446 1.00 0.00 C ATOM 310 OG1 THR A 21 -2.070 -2.080 3.467 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.402 -3.799 3.773 1.00 0.00 C ATOM 0 H THR A 21 -2.794 -1.400 5.888 1.00 0.00 H new ATOM 0 HA THR A 21 -2.881 -4.021 5.062 1.00 0.00 H new ATOM 0 HB THR A 21 -0.601 -2.010 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.226 -1.152 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.219 -3.333 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.236 -4.277 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.046 -4.548 3.312 1.00 0.00 H new ATOM 319 N LYS A 22 -0.642 -3.494 7.428 1.00 0.00 N ATOM 320 CA LYS A 22 0.221 -4.155 8.400 1.00 0.00 C ATOM 321 C LYS A 22 -0.529 -5.267 9.127 1.00 0.00 C ATOM 322 O LYS A 22 -0.170 -6.440 9.023 1.00 0.00 O ATOM 323 CB LYS A 22 0.753 -3.138 9.413 1.00 0.00 C ATOM 324 CG LYS A 22 1.674 -3.745 10.457 1.00 0.00 C ATOM 325 CD LYS A 22 2.227 -2.686 11.396 1.00 0.00 C ATOM 326 CE LYS A 22 1.223 -2.322 12.479 1.00 0.00 C ATOM 327 NZ LYS A 22 1.656 -1.131 13.260 1.00 0.00 N ATOM 0 H LYS A 22 -0.706 -2.482 7.541 1.00 0.00 H new ATOM 0 HA LYS A 22 1.059 -4.598 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.289 -2.353 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.090 -2.663 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.130 -4.494 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.498 -4.260 9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.145 -3.051 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.489 -1.794 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.253 -2.124 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.092 -3.169 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.945 -0.916 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.569 -1.328 13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.757 -0.316 12.622 1.00 0.00 H new ATOM 341 N ARG A 23 -1.571 -4.890 9.860 1.00 0.00 N ATOM 342 CA ARG A 23 -2.371 -5.857 10.603 1.00 0.00 C ATOM 343 C ARG A 23 -2.638 -7.102 9.763 1.00 0.00 C ATOM 344 O ARG A 23 -2.445 -8.228 10.224 1.00 0.00 O ATOM 345 CB ARG A 23 -3.697 -5.228 11.036 1.00 0.00 C ATOM 346 CG ARG A 23 -4.416 -6.010 12.122 1.00 0.00 C ATOM 347 CD ARG A 23 -5.674 -5.292 12.586 1.00 0.00 C ATOM 348 NE ARG A 23 -5.371 -4.013 13.222 1.00 0.00 N ATOM 349 CZ ARG A 23 -6.288 -3.093 13.497 1.00 0.00 C ATOM 350 NH1 ARG A 23 -7.561 -3.309 13.193 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.934 -1.953 14.077 1.00 0.00 N ATOM 0 H ARG A 23 -1.881 -3.923 9.956 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.809 -6.151 11.489 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.510 -4.215 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.350 -5.144 10.168 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.678 -6.999 11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.747 -6.158 12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.332 -5.126 11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.216 -5.926 13.288 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.401 -3.815 13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.837 -4.184 12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.263 -2.601 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.956 -1.783 14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.640 -1.247 14.288 1.00 0.00 H new ATOM 365 N LEU A 24 -3.082 -6.893 8.528 1.00 0.00 N ATOM 366 CA LEU A 24 -3.376 -7.999 7.624 1.00 0.00 C ATOM 367 C LEU A 24 -2.135 -8.854 7.388 1.00 0.00 C ATOM 368 O LEU A 24 -2.057 -9.993 7.847 1.00 0.00 O ATOM 369 CB LEU A 24 -3.903 -7.467 6.290 1.00 0.00 C ATOM 370 CG LEU A 24 -5.095 -6.513 6.372 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.324 -5.827 5.034 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.346 -7.260 6.812 1.00 0.00 C ATOM 0 H LEU A 24 -3.246 -5.968 8.130 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.141 -8.621 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.088 -6.955 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.185 -8.317 5.669 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.873 -5.747 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.176 -5.152 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.435 -5.259 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.525 -6.578 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.185 -6.566 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.572 -8.047 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.179 -7.703 7.794 1.00 0.00 H new ATOM 384 N ALA A 25 -1.165 -8.295 6.671 1.00 0.00 N ATOM 385 CA ALA A 25 0.074 -9.005 6.378 1.00 0.00 C ATOM 386 C ALA A 25 0.611 -9.707 7.620 1.00 0.00 C ATOM 387 O ALA A 25 0.804 -10.924 7.625 1.00 0.00 O ATOM 388 CB ALA A 25 1.114 -8.043 5.822 1.00 0.00 C ATOM 0 H ALA A 25 -1.214 -7.353 6.283 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.140 -9.765 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.034 -8.586 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.737 -7.591 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.316 -7.262 6.555 1.00 0.00 H new ATOM 394 N THR A 26 0.853 -8.934 8.675 1.00 0.00 N ATOM 395 CA THR A 26 1.369 -9.482 9.922 1.00 0.00 C ATOM 396 C THR A 26 0.615 -10.745 10.323 1.00 0.00 C ATOM 397 O THR A 26 1.221 -11.780 10.601 1.00 0.00 O ATOM 398 CB THR A 26 1.276 -8.457 11.068 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.044 -7.903 11.123 1.00 0.00 O ATOM 400 CG2 THR A 26 2.292 -7.341 10.880 1.00 0.00 C ATOM 0 H THR A 26 0.699 -7.926 8.689 1.00 0.00 H new ATOM 0 HA THR A 26 2.417 -9.728 9.748 1.00 0.00 H new ATOM 0 HB THR A 26 1.494 -8.971 12.004 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.108 -7.149 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.207 -6.630 11.701 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.297 -7.762 10.867 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.101 -6.830 9.936 1.00 0.00 H new ATOM 408 N ASP A 27 -0.710 -10.653 10.349 1.00 0.00 N ATOM 409 CA ASP A 27 -1.548 -11.789 10.714 1.00 0.00 C ATOM 410 C ASP A 27 -1.286 -12.976 9.792 1.00 0.00 C ATOM 411 O ASP A 27 -1.279 -12.836 8.569 1.00 0.00 O ATOM 412 CB ASP A 27 -3.026 -11.399 10.656 1.00 0.00 C ATOM 413 CG ASP A 27 -3.872 -12.190 11.635 1.00 0.00 C ATOM 414 OD1 ASP A 27 -3.305 -13.030 12.364 1.00 0.00 O ATOM 415 OD2 ASP A 27 -5.101 -11.968 11.672 1.00 0.00 O ATOM 0 H ASP A 27 -1.227 -9.804 10.122 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.297 -12.081 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.127 -10.335 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.401 -11.558 9.645 1.00 0.00 H new ATOM 420 N LYS A 28 -1.070 -14.144 10.387 1.00 0.00 N ATOM 421 CA LYS A 28 -0.808 -15.356 9.620 1.00 0.00 C ATOM 422 C LYS A 28 -1.891 -15.581 8.570 1.00 0.00 C ATOM 423 O LYS A 28 -1.603 -15.662 7.376 1.00 0.00 O ATOM 424 CB LYS A 28 -0.728 -16.567 10.553 1.00 0.00 C ATOM 425 CG LYS A 28 -0.429 -17.871 9.834 1.00 0.00 C ATOM 426 CD LYS A 28 -0.764 -19.074 10.698 1.00 0.00 C ATOM 427 CE LYS A 28 0.291 -19.303 11.769 1.00 0.00 C ATOM 428 NZ LYS A 28 -0.122 -20.354 12.739 1.00 0.00 N ATOM 0 H LYS A 28 -1.071 -14.277 11.398 1.00 0.00 H new ATOM 0 HA LYS A 28 0.147 -15.234 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.045 -16.389 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.672 -16.665 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.002 -17.916 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.625 -17.902 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.736 -18.926 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.846 -19.962 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.230 -19.593 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.476 -18.370 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.624 -20.480 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.005 -20.066 13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.274 -21.251 12.235 1.00 0.00 H new ATOM 442 N ARG A 29 -3.136 -15.680 9.023 1.00 0.00 N ATOM 443 CA ARG A 29 -4.262 -15.895 8.121 1.00 0.00 C ATOM 444 C ARG A 29 -4.104 -15.070 6.848 1.00 0.00 C ATOM 445 O ARG A 29 -4.478 -15.509 5.760 1.00 0.00 O ATOM 446 CB ARG A 29 -5.576 -15.533 8.816 1.00 0.00 C ATOM 447 CG ARG A 29 -5.503 -14.249 9.627 1.00 0.00 C ATOM 448 CD ARG A 29 -5.864 -13.037 8.783 1.00 0.00 C ATOM 449 NE ARG A 29 -6.414 -11.952 9.592 1.00 0.00 N ATOM 450 CZ ARG A 29 -7.545 -12.050 10.281 1.00 0.00 C ATOM 451 NH1 ARG A 29 -8.242 -13.177 10.261 1.00 0.00 N ATOM 452 NH2 ARG A 29 -7.981 -11.018 10.994 1.00 0.00 N ATOM 0 H ARG A 29 -3.391 -15.615 10.008 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.281 -16.950 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.359 -15.434 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.867 -16.352 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.180 -14.316 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.497 -14.128 10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.977 -12.684 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.590 -13.327 8.024 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.901 -11.071 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.910 -13.972 9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.110 -13.249 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.447 -10.149 11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.850 -11.094 11.523 1.00 0.00 H new ATOM 466 N PHE A 30 -3.547 -13.871 6.990 1.00 0.00 N ATOM 467 CA PHE A 30 -3.341 -12.984 5.852 1.00 0.00 C ATOM 468 C PHE A 30 -1.859 -12.885 5.501 1.00 0.00 C ATOM 469 O PHE A 30 -1.342 -11.798 5.245 1.00 0.00 O ATOM 470 CB PHE A 30 -3.899 -11.592 6.156 1.00 0.00 C ATOM 471 CG PHE A 30 -5.378 -11.476 5.926 1.00 0.00 C ATOM 472 CD1 PHE A 30 -5.953 -11.965 4.763 1.00 0.00 C ATOM 473 CD2 PHE A 30 -6.195 -10.877 6.871 1.00 0.00 C ATOM 474 CE1 PHE A 30 -7.314 -11.860 4.549 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.557 -10.769 6.662 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.117 -11.260 5.499 1.00 0.00 C ATOM 0 H PHE A 30 -3.230 -13.492 7.883 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.872 -13.402 4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.680 -11.340 7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.384 -10.859 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.330 -12.433 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.763 -10.490 7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.750 -12.247 3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.183 -10.301 7.408 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.181 -11.175 5.333 1.00 0.00 H new ATOM 486 N ASN A 31 -1.182 -14.028 5.492 1.00 0.00 N ATOM 487 CA ASN A 31 0.241 -14.071 5.173 1.00 0.00 C ATOM 488 C ASN A 31 0.471 -14.673 3.791 1.00 0.00 C ATOM 489 O ASN A 31 1.524 -14.474 3.183 1.00 0.00 O ATOM 490 CB ASN A 31 0.996 -14.883 6.228 1.00 0.00 C ATOM 491 CG ASN A 31 2.493 -14.646 6.177 1.00 0.00 C ATOM 492 OD1 ASN A 31 3.137 -14.677 7.338 1.00 0.00 O flip ATOM 493 ND2 ASN A 31 3.064 -14.438 5.106 1.00 0.00 N flip ATOM 0 H ASN A 31 -1.595 -14.937 5.702 1.00 0.00 H new ATOM 0 HA ASN A 31 0.619 -13.049 5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.623 -14.623 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.793 -15.944 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.529 -14.423 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.072 -14.281 5.087 1.00 0.00 H new ATOM 500 N ILE A 32 -0.520 -15.409 3.300 1.00 0.00 N ATOM 501 CA ILE A 32 -0.426 -16.039 1.988 1.00 0.00 C ATOM 502 C ILE A 32 -0.377 -14.994 0.879 1.00 0.00 C ATOM 503 O ILE A 32 0.114 -15.260 -0.218 1.00 0.00 O ATOM 504 CB ILE A 32 -1.613 -16.987 1.732 1.00 0.00 C ATOM 505 CG1 ILE A 32 -2.919 -16.194 1.655 1.00 0.00 C ATOM 506 CG2 ILE A 32 -1.692 -18.043 2.824 1.00 0.00 C ATOM 507 CD1 ILE A 32 -3.970 -16.845 0.784 1.00 0.00 C ATOM 0 H ILE A 32 -1.397 -15.584 3.790 1.00 0.00 H new ATOM 0 HA ILE A 32 0.498 -16.617 1.981 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.458 -17.490 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.319 -16.069 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.707 -15.196 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.536 -18.705 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.770 -18.624 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.827 -17.558 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.869 -16.228 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.589 -16.945 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.211 -17.832 1.180 1.00 0.00 H new ATOM 519 N PHE A 33 -0.887 -13.802 1.173 1.00 0.00 N ATOM 520 CA PHE A 33 -0.901 -12.715 0.201 1.00 0.00 C ATOM 521 C PHE A 33 0.314 -11.810 0.381 1.00 0.00 C ATOM 522 O PHE A 33 0.607 -10.970 -0.470 1.00 0.00 O ATOM 523 CB PHE A 33 -2.186 -11.897 0.337 1.00 0.00 C ATOM 524 CG PHE A 33 -3.434 -12.693 0.085 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.861 -12.947 -1.208 1.00 0.00 C ATOM 526 CD2 PHE A 33 -4.181 -13.189 1.142 1.00 0.00 C ATOM 527 CE1 PHE A 33 -5.009 -13.680 -1.444 1.00 0.00 C ATOM 528 CE2 PHE A 33 -5.330 -13.923 0.913 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.744 -14.168 -0.382 1.00 0.00 C ATOM 0 H PHE A 33 -1.296 -13.565 2.077 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.862 -13.152 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.232 -11.472 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.151 -11.061 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.290 -12.568 -2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.862 -13.000 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.330 -13.871 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.903 -14.304 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.642 -14.741 -0.563 1.00 0.00 H new ATOM 539 N SER A 34 1.017 -11.987 1.495 1.00 0.00 N ATOM 540 CA SER A 34 2.198 -11.184 1.789 1.00 0.00 C ATOM 541 C SER A 34 3.316 -11.476 0.794 1.00 0.00 C ATOM 542 O SER A 34 4.228 -10.669 0.611 1.00 0.00 O ATOM 543 CB SER A 34 2.683 -11.456 3.214 1.00 0.00 C ATOM 544 OG SER A 34 3.620 -10.477 3.630 1.00 0.00 O ATOM 0 H SER A 34 0.789 -12.679 2.209 1.00 0.00 H new ATOM 0 HA SER A 34 1.923 -10.133 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.833 -11.463 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.139 -12.445 3.264 1.00 0.00 H new ATOM 0 HG SER A 34 3.913 -10.673 4.544 1.00 0.00 H new ATOM 550 N LYS A 35 3.239 -12.636 0.151 1.00 0.00 N ATOM 551 CA LYS A 35 4.243 -13.038 -0.827 1.00 0.00 C ATOM 552 C LYS A 35 3.586 -13.469 -2.135 1.00 0.00 C ATOM 553 O LYS A 35 2.413 -13.843 -2.175 1.00 0.00 O ATOM 554 CB LYS A 35 5.098 -14.179 -0.273 1.00 0.00 C ATOM 555 CG LYS A 35 4.309 -15.190 0.542 1.00 0.00 C ATOM 556 CD LYS A 35 3.591 -16.187 -0.352 1.00 0.00 C ATOM 557 CE LYS A 35 3.179 -17.431 0.420 1.00 0.00 C ATOM 558 NZ LYS A 35 4.352 -18.129 1.015 1.00 0.00 N ATOM 0 H LYS A 35 2.491 -13.315 0.290 1.00 0.00 H new ATOM 0 HA LYS A 35 4.883 -12.179 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.584 -14.693 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.888 -13.760 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.982 -15.722 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.582 -14.669 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.708 -15.718 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.242 -16.470 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.482 -17.153 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.650 -18.113 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.296 -19.145 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.228 -17.739 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.352 -17.991 2.046 1.00 0.00 H new ATOM 572 N PRO A 36 4.357 -13.418 -3.231 1.00 0.00 N ATOM 573 CA PRO A 36 3.872 -13.802 -4.559 1.00 0.00 C ATOM 574 C PRO A 36 3.632 -15.304 -4.678 1.00 0.00 C ATOM 575 O PRO A 36 4.572 -16.081 -4.849 1.00 0.00 O ATOM 576 CB PRO A 36 5.005 -13.366 -5.491 1.00 0.00 C ATOM 577 CG PRO A 36 6.224 -13.374 -4.634 1.00 0.00 C ATOM 578 CD PRO A 36 5.764 -12.983 -3.257 1.00 0.00 C ATOM 0 HA PRO A 36 2.911 -13.342 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.109 -14.049 -6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.818 -12.375 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.688 -14.360 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.970 -12.674 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.351 -13.476 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.856 -11.909 -3.092 1.00 0.00 H new ATOM 586 N VAL A 37 2.369 -15.706 -4.585 1.00 0.00 N ATOM 587 CA VAL A 37 2.006 -17.115 -4.683 1.00 0.00 C ATOM 588 C VAL A 37 2.054 -17.595 -6.129 1.00 0.00 C ATOM 589 O VAL A 37 1.026 -17.931 -6.717 1.00 0.00 O ATOM 590 CB VAL A 37 0.598 -17.373 -4.114 1.00 0.00 C ATOM 591 CG1 VAL A 37 0.525 -16.948 -2.656 1.00 0.00 C ATOM 592 CG2 VAL A 37 -0.452 -16.648 -4.943 1.00 0.00 C ATOM 0 H VAL A 37 1.580 -15.076 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 37 2.735 -17.672 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 37 0.394 -18.443 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.477 -17.138 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.251 -17.517 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.749 -15.884 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.441 -16.841 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.254 -15.576 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.415 -17.007 -5.972 1.00 0.00 H new ATOM 602 N SER A 38 3.255 -17.626 -6.697 1.00 0.00 N ATOM 603 CA SER A 38 3.438 -18.062 -8.077 1.00 0.00 C ATOM 604 C SER A 38 4.654 -18.975 -8.201 1.00 0.00 C ATOM 605 O SER A 38 5.557 -18.941 -7.366 1.00 0.00 O ATOM 606 CB SER A 38 3.597 -16.852 -9.000 1.00 0.00 C ATOM 607 OG SER A 38 3.487 -17.231 -10.361 1.00 0.00 O ATOM 0 H SER A 38 4.116 -17.354 -6.223 1.00 0.00 H new ATOM 0 HA SER A 38 2.552 -18.623 -8.376 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.836 -16.108 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.566 -16.383 -8.827 1.00 0.00 H new ATOM 0 HG SER A 38 4.283 -16.932 -10.849 1.00 0.00 H new ATOM 613 N ASP A 39 4.668 -19.790 -9.250 1.00 0.00 N ATOM 614 CA ASP A 39 5.772 -20.713 -9.486 1.00 0.00 C ATOM 615 C ASP A 39 6.943 -19.999 -10.155 1.00 0.00 C ATOM 616 O ASP A 39 8.072 -20.490 -10.142 1.00 0.00 O ATOM 617 CB ASP A 39 5.310 -21.884 -10.355 1.00 0.00 C ATOM 618 CG ASP A 39 6.210 -23.097 -10.218 1.00 0.00 C ATOM 619 OD1 ASP A 39 7.426 -22.912 -9.999 1.00 0.00 O ATOM 620 OD2 ASP A 39 5.698 -24.230 -10.329 1.00 0.00 O ATOM 0 H ASP A 39 3.927 -19.830 -9.950 1.00 0.00 H new ATOM 0 HA ASP A 39 6.105 -21.096 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.292 -22.158 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.284 -21.570 -11.399 1.00 0.00 H new ATOM 625 N TYR A 40 6.666 -18.839 -10.740 1.00 0.00 N ATOM 626 CA TYR A 40 7.695 -18.059 -11.417 1.00 0.00 C ATOM 627 C TYR A 40 7.410 -16.565 -11.302 1.00 0.00 C ATOM 628 O TYR A 40 6.371 -16.082 -11.754 1.00 0.00 O ATOM 629 CB TYR A 40 7.782 -18.461 -12.890 1.00 0.00 C ATOM 630 CG TYR A 40 9.167 -18.310 -13.478 1.00 0.00 C ATOM 631 CD1 TYR A 40 10.099 -17.457 -12.900 1.00 0.00 C ATOM 632 CD2 TYR A 40 9.543 -19.020 -14.612 1.00 0.00 C ATOM 633 CE1 TYR A 40 11.365 -17.315 -13.434 1.00 0.00 C ATOM 634 CE2 TYR A 40 10.808 -18.885 -15.152 1.00 0.00 C ATOM 635 CZ TYR A 40 11.715 -18.032 -14.559 1.00 0.00 C ATOM 636 OH TYR A 40 12.975 -17.894 -15.095 1.00 0.00 O ATOM 0 H TYR A 40 5.737 -18.418 -10.759 1.00 0.00 H new ATOM 0 HA TYR A 40 8.650 -18.266 -10.933 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.463 -19.498 -12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.084 -17.853 -13.466 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.829 -16.895 -12.018 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.835 -19.688 -15.079 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.077 -16.646 -12.973 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.085 -19.444 -16.033 1.00 0.00 H new ATOM 0 HH TYR A 40 13.060 -18.469 -15.884 1.00 0.00 H new ATOM 646 N LEU A 41 8.341 -15.837 -10.694 1.00 0.00 N ATOM 647 CA LEU A 41 8.192 -14.396 -10.519 1.00 0.00 C ATOM 648 C LEU A 41 8.229 -13.678 -11.864 1.00 0.00 C ATOM 649 O LEU A 41 7.808 -12.527 -11.974 1.00 0.00 O ATOM 650 CB LEU A 41 9.297 -13.857 -9.609 1.00 0.00 C ATOM 651 CG LEU A 41 10.602 -13.460 -10.300 1.00 0.00 C ATOM 652 CD1 LEU A 41 10.525 -12.028 -10.805 1.00 0.00 C ATOM 653 CD2 LEU A 41 11.781 -13.631 -9.353 1.00 0.00 C ATOM 0 H LEU A 41 9.206 -16.221 -10.314 1.00 0.00 H new ATOM 0 HA LEU A 41 7.224 -14.209 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.911 -12.987 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.523 -14.614 -8.858 1.00 0.00 H new ATOM 0 HG LEU A 41 10.751 -14.118 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.463 -11.764 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.706 -11.937 -11.518 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.351 -11.355 -9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.701 -13.344 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.638 -12.999 -8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.849 -14.673 -9.041 1.00 0.00 H new ATOM 665 N GLU A 42 8.733 -14.366 -12.883 1.00 0.00 N ATOM 666 CA GLU A 42 8.823 -13.793 -14.221 1.00 0.00 C ATOM 667 C GLU A 42 7.644 -14.235 -15.083 1.00 0.00 C ATOM 668 O GLU A 42 7.773 -14.396 -16.296 1.00 0.00 O ATOM 669 CB GLU A 42 10.138 -14.202 -14.888 1.00 0.00 C ATOM 670 CG GLU A 42 11.366 -13.913 -14.042 1.00 0.00 C ATOM 671 CD GLU A 42 12.600 -13.637 -14.879 1.00 0.00 C ATOM 672 OE1 GLU A 42 13.008 -14.535 -15.646 1.00 0.00 O ATOM 673 OE2 GLU A 42 13.158 -12.526 -14.767 1.00 0.00 O ATOM 0 H GLU A 42 9.085 -15.320 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 42 8.794 -12.708 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.105 -15.268 -15.113 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.231 -13.678 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.167 -13.054 -13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.559 -14.762 -13.386 1.00 0.00 H new ATOM 680 N VAL A 43 6.493 -14.429 -14.446 1.00 0.00 N ATOM 681 CA VAL A 43 5.290 -14.852 -15.152 1.00 0.00 C ATOM 682 C VAL A 43 4.130 -13.901 -14.880 1.00 0.00 C ATOM 683 O VAL A 43 3.113 -13.931 -15.574 1.00 0.00 O ATOM 684 CB VAL A 43 4.875 -16.279 -14.750 1.00 0.00 C ATOM 685 CG1 VAL A 43 3.425 -16.541 -15.129 1.00 0.00 C ATOM 686 CG2 VAL A 43 5.797 -17.303 -15.395 1.00 0.00 C ATOM 0 H VAL A 43 6.369 -14.300 -13.442 1.00 0.00 H new ATOM 0 HA VAL A 43 5.526 -14.837 -16.216 1.00 0.00 H new ATOM 0 HB VAL A 43 4.965 -16.374 -13.668 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.150 -17.555 -14.837 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.780 -15.828 -14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.305 -16.429 -16.206 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.489 -18.306 -15.100 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.741 -17.210 -16.480 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.822 -17.127 -15.068 1.00 0.00 H new ATOM 696 N ILE A 44 4.289 -13.058 -13.865 1.00 0.00 N ATOM 697 CA ILE A 44 3.255 -12.097 -13.502 1.00 0.00 C ATOM 698 C ILE A 44 3.482 -10.757 -14.195 1.00 0.00 C ATOM 699 O ILE A 44 4.614 -10.289 -14.311 1.00 0.00 O ATOM 700 CB ILE A 44 3.206 -11.872 -11.979 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.831 -13.170 -11.261 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.217 -10.767 -11.639 1.00 0.00 C ATOM 703 CD1 ILE A 44 4.025 -14.018 -10.883 1.00 0.00 C ATOM 0 H ILE A 44 5.124 -13.021 -13.280 1.00 0.00 H new ATOM 0 HA ILE A 44 2.304 -12.517 -13.830 1.00 0.00 H new ATOM 0 HB ILE A 44 4.195 -11.565 -11.640 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.268 -12.928 -10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.170 -13.753 -11.903 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.193 -10.619 -10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.525 -9.841 -12.125 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.223 -11.048 -11.989 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.684 -14.922 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.577 -14.291 -11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.676 -13.453 -10.216 1.00 0.00 H new ATOM 715 N LYS A 45 2.396 -10.144 -14.653 1.00 0.00 N ATOM 716 CA LYS A 45 2.473 -8.856 -15.333 1.00 0.00 C ATOM 717 C LYS A 45 2.479 -7.710 -14.327 1.00 0.00 C ATOM 718 O LYS A 45 3.243 -6.755 -14.465 1.00 0.00 O ATOM 719 CB LYS A 45 1.298 -8.695 -16.300 1.00 0.00 C ATOM 720 CG LYS A 45 1.513 -9.380 -17.638 1.00 0.00 C ATOM 721 CD LYS A 45 2.473 -8.596 -18.518 1.00 0.00 C ATOM 722 CE LYS A 45 1.777 -7.427 -19.198 1.00 0.00 C ATOM 723 NZ LYS A 45 2.750 -6.493 -19.829 1.00 0.00 N ATOM 0 H LYS A 45 1.451 -10.518 -14.566 1.00 0.00 H new ATOM 0 HA LYS A 45 3.405 -8.826 -15.897 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.398 -9.098 -15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.121 -7.633 -16.469 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.905 -10.384 -17.475 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.557 -9.490 -18.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.302 -8.226 -17.915 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.898 -9.257 -19.273 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.091 -7.804 -19.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.177 -6.886 -18.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.236 -5.710 -20.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.389 -6.113 -19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.306 -7.002 -20.545 1.00 0.00 H new ATOM 737 N GLU A 46 1.623 -7.812 -13.315 1.00 0.00 N ATOM 738 CA GLU A 46 1.531 -6.783 -12.286 1.00 0.00 C ATOM 739 C GLU A 46 1.672 -7.391 -10.894 1.00 0.00 C ATOM 740 O GLU A 46 0.689 -7.641 -10.196 1.00 0.00 O ATOM 741 CB GLU A 46 0.199 -6.037 -12.397 1.00 0.00 C ATOM 742 CG GLU A 46 0.151 -5.044 -13.546 1.00 0.00 C ATOM 743 CD GLU A 46 -1.266 -4.707 -13.967 1.00 0.00 C ATOM 744 OE1 GLU A 46 -2.122 -4.526 -13.075 1.00 0.00 O ATOM 745 OE2 GLU A 46 -1.520 -4.624 -15.186 1.00 0.00 O ATOM 0 H GLU A 46 0.984 -8.596 -13.186 1.00 0.00 H new ATOM 0 HA GLU A 46 2.348 -6.078 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.605 -6.763 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.009 -5.508 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.666 -4.129 -13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.692 -5.455 -14.399 1.00 0.00 H new ATOM 752 N PRO A 47 2.924 -7.636 -10.479 1.00 0.00 N ATOM 753 CA PRO A 47 3.224 -8.218 -9.168 1.00 0.00 C ATOM 754 C PRO A 47 2.929 -7.253 -8.024 1.00 0.00 C ATOM 755 O PRO A 47 3.641 -6.268 -7.832 1.00 0.00 O ATOM 756 CB PRO A 47 4.724 -8.513 -9.246 1.00 0.00 C ATOM 757 CG PRO A 47 5.247 -7.551 -10.256 1.00 0.00 C ATOM 758 CD PRO A 47 4.143 -7.362 -11.259 1.00 0.00 C ATOM 0 HA PRO A 47 2.613 -9.097 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.206 -8.372 -8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.910 -9.544 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.517 -6.604 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.147 -7.938 -10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.140 -6.352 -11.668 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.244 -8.046 -12.101 1.00 0.00 H new ATOM 766 N MET A 48 1.875 -7.543 -7.268 1.00 0.00 N ATOM 767 CA MET A 48 1.488 -6.701 -6.142 1.00 0.00 C ATOM 768 C MET A 48 1.332 -7.530 -4.872 1.00 0.00 C ATOM 769 O MET A 48 0.577 -8.502 -4.842 1.00 0.00 O ATOM 770 CB MET A 48 0.180 -5.969 -6.451 1.00 0.00 C ATOM 771 CG MET A 48 -0.009 -4.696 -5.643 1.00 0.00 C ATOM 772 SD MET A 48 0.643 -3.238 -6.481 1.00 0.00 S ATOM 773 CE MET A 48 2.157 -3.896 -7.176 1.00 0.00 C ATOM 0 H MET A 48 1.274 -8.354 -7.415 1.00 0.00 H new ATOM 0 HA MET A 48 2.278 -5.967 -5.981 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.153 -5.723 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.657 -6.640 -6.258 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.071 -4.551 -5.444 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.485 -4.806 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.807 -3.074 -7.475 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.665 -4.507 -6.430 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.922 -4.508 -8.047 1.00 0.00 H new ATOM 783 N ASP A 49 2.052 -7.141 -3.825 1.00 0.00 N ATOM 784 CA ASP A 49 1.992 -7.848 -2.551 1.00 0.00 C ATOM 785 C ASP A 49 1.936 -6.866 -1.385 1.00 0.00 C ATOM 786 O ASP A 49 2.460 -5.754 -1.471 1.00 0.00 O ATOM 787 CB ASP A 49 3.203 -8.771 -2.398 1.00 0.00 C ATOM 788 CG ASP A 49 4.429 -8.240 -3.115 1.00 0.00 C ATOM 789 OD1 ASP A 49 4.714 -7.030 -2.988 1.00 0.00 O ATOM 790 OD2 ASP A 49 5.104 -9.034 -3.802 1.00 0.00 O ATOM 0 H ASP A 49 2.684 -6.340 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 49 1.082 -8.449 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.430 -8.895 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.956 -9.758 -2.789 1.00 0.00 H new ATOM 795 N LEU A 50 1.297 -7.281 -0.298 1.00 0.00 N ATOM 796 CA LEU A 50 1.171 -6.437 0.885 1.00 0.00 C ATOM 797 C LEU A 50 2.529 -5.888 1.309 1.00 0.00 C ATOM 798 O LEU A 50 2.610 -4.908 2.050 1.00 0.00 O ATOM 799 CB LEU A 50 0.547 -7.228 2.036 1.00 0.00 C ATOM 800 CG LEU A 50 -0.936 -7.570 1.889 1.00 0.00 C ATOM 801 CD1 LEU A 50 -1.340 -8.639 2.893 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.791 -6.323 2.062 1.00 0.00 C ATOM 0 H LEU A 50 0.858 -8.197 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 50 0.522 -5.598 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.104 -8.158 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.678 -6.658 2.956 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.100 -7.963 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.399 -8.869 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.751 -9.540 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.160 -8.275 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.843 -6.586 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.622 -5.901 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.521 -5.588 1.303 1.00 0.00 H new ATOM 814 N SER A 51 3.595 -6.524 0.832 1.00 0.00 N ATOM 815 CA SER A 51 4.950 -6.100 1.163 1.00 0.00 C ATOM 816 C SER A 51 5.316 -4.820 0.417 1.00 0.00 C ATOM 817 O SER A 51 5.724 -3.829 1.023 1.00 0.00 O ATOM 818 CB SER A 51 5.950 -7.206 0.823 1.00 0.00 C ATOM 819 OG SER A 51 5.589 -8.429 1.440 1.00 0.00 O ATOM 0 H SER A 51 3.546 -7.335 0.215 1.00 0.00 H new ATOM 0 HA SER A 51 4.991 -5.900 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.995 -7.340 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.947 -6.911 1.149 1.00 0.00 H new ATOM 0 HG SER A 51 5.081 -8.978 0.806 1.00 0.00 H new ATOM 825 N THR A 52 5.166 -4.849 -0.903 1.00 0.00 N ATOM 826 CA THR A 52 5.481 -3.693 -1.733 1.00 0.00 C ATOM 827 C THR A 52 4.586 -2.508 -1.389 1.00 0.00 C ATOM 828 O THR A 52 4.961 -1.354 -1.595 1.00 0.00 O ATOM 829 CB THR A 52 5.328 -4.019 -3.231 1.00 0.00 C ATOM 830 OG1 THR A 52 6.166 -3.156 -4.008 1.00 0.00 O ATOM 831 CG2 THR A 52 3.881 -3.863 -3.674 1.00 0.00 C ATOM 0 H THR A 52 4.828 -5.660 -1.421 1.00 0.00 H new ATOM 0 HA THR A 52 6.519 -3.431 -1.529 1.00 0.00 H new ATOM 0 HB THR A 52 5.629 -5.055 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.064 -3.370 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.798 -4.098 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.250 -4.542 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.557 -2.836 -3.504 1.00 0.00 H new ATOM 839 N VAL A 53 3.402 -2.801 -0.861 1.00 0.00 N ATOM 840 CA VAL A 53 2.454 -1.758 -0.486 1.00 0.00 C ATOM 841 C VAL A 53 2.977 -0.936 0.687 1.00 0.00 C ATOM 842 O VAL A 53 3.043 0.291 0.617 1.00 0.00 O ATOM 843 CB VAL A 53 1.084 -2.355 -0.110 1.00 0.00 C ATOM 844 CG1 VAL A 53 0.143 -1.264 0.378 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.484 -3.097 -1.295 1.00 0.00 C ATOM 0 H VAL A 53 3.076 -3.751 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 53 2.335 -1.111 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 53 1.227 -3.068 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.820 -1.704 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.571 -0.780 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.002 -0.525 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.483 -3.512 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.353 -2.406 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.152 -3.904 -1.595 1.00 0.00 H new ATOM 855 N ILE A 54 3.347 -1.621 1.764 1.00 0.00 N ATOM 856 CA ILE A 54 3.866 -0.954 2.951 1.00 0.00 C ATOM 857 C ILE A 54 4.972 0.032 2.589 1.00 0.00 C ATOM 858 O ILE A 54 5.188 1.023 3.286 1.00 0.00 O ATOM 859 CB ILE A 54 4.412 -1.968 3.973 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.261 -2.725 4.639 1.00 0.00 C ATOM 861 CG2 ILE A 54 5.264 -1.262 5.018 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.716 -3.895 5.483 1.00 0.00 C ATOM 0 H ILE A 54 3.297 -2.637 1.839 1.00 0.00 H new ATOM 0 HA ILE A 54 3.032 -0.413 3.398 1.00 0.00 H new ATOM 0 HB ILE A 54 5.039 -2.688 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.696 -2.034 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.580 -3.086 3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.642 -1.993 5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.102 -0.765 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.659 -0.522 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.848 -4.385 5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.255 -4.607 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.373 -3.538 6.276 1.00 0.00 H new ATOM 874 N THR A 55 5.669 -0.246 1.492 1.00 0.00 N ATOM 875 CA THR A 55 6.752 0.616 1.036 1.00 0.00 C ATOM 876 C THR A 55 6.211 1.905 0.430 1.00 0.00 C ATOM 877 O THR A 55 6.717 2.993 0.704 1.00 0.00 O ATOM 878 CB THR A 55 7.636 -0.096 -0.006 1.00 0.00 C ATOM 879 OG1 THR A 55 8.409 -1.122 0.627 1.00 0.00 O ATOM 880 CG2 THR A 55 8.564 0.893 -0.695 1.00 0.00 C ATOM 0 H THR A 55 5.503 -1.062 0.903 1.00 0.00 H new ATOM 0 HA THR A 55 7.355 0.855 1.912 1.00 0.00 H new ATOM 0 HB THR A 55 6.985 -0.543 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.967 -1.571 -0.042 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.178 0.367 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.972 1.656 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.208 1.365 0.047 1.00 0.00 H new ATOM 888 N LYS A 56 5.177 1.777 -0.395 1.00 0.00 N ATOM 889 CA LYS A 56 4.564 2.933 -1.040 1.00 0.00 C ATOM 890 C LYS A 56 4.123 3.962 -0.005 1.00 0.00 C ATOM 891 O LYS A 56 4.228 5.168 -0.231 1.00 0.00 O ATOM 892 CB LYS A 56 3.365 2.495 -1.884 1.00 0.00 C ATOM 893 CG LYS A 56 3.686 1.382 -2.866 1.00 0.00 C ATOM 894 CD LYS A 56 4.611 1.863 -3.971 1.00 0.00 C ATOM 895 CE LYS A 56 3.828 2.435 -5.144 1.00 0.00 C ATOM 896 NZ LYS A 56 4.568 2.291 -6.428 1.00 0.00 N ATOM 0 H LYS A 56 4.746 0.884 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 56 5.308 3.394 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.566 2.163 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.985 3.356 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.152 0.551 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.762 1.003 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.286 2.623 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.230 1.035 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.866 1.928 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.619 3.489 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.001 2.693 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.475 2.796 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.745 1.284 -6.615 1.00 0.00 H new ATOM 910 N ILE A 57 3.630 3.479 1.131 1.00 0.00 N ATOM 911 CA ILE A 57 3.175 4.358 2.201 1.00 0.00 C ATOM 912 C ILE A 57 4.349 5.074 2.860 1.00 0.00 C ATOM 913 O ILE A 57 4.206 6.188 3.365 1.00 0.00 O ATOM 914 CB ILE A 57 2.395 3.579 3.276 1.00 0.00 C ATOM 915 CG1 ILE A 57 1.334 2.691 2.624 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.754 4.540 4.266 1.00 0.00 C ATOM 917 CD1 ILE A 57 1.034 1.432 3.408 1.00 0.00 C ATOM 0 H ILE A 57 3.536 2.484 1.334 1.00 0.00 H new ATOM 0 HA ILE A 57 2.513 5.094 1.745 1.00 0.00 H new ATOM 0 HB ILE A 57 3.092 2.941 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.414 3.264 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.667 2.415 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.206 3.974 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.529 5.134 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.067 5.201 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.273 0.851 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.943 0.837 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.670 1.699 4.400 1.00 0.00 H new ATOM 929 N ASP A 58 5.510 4.429 2.850 1.00 0.00 N ATOM 930 CA ASP A 58 6.711 5.006 3.444 1.00 0.00 C ATOM 931 C ASP A 58 7.461 5.863 2.429 1.00 0.00 C ATOM 932 O ASP A 58 8.462 6.500 2.758 1.00 0.00 O ATOM 933 CB ASP A 58 7.626 3.900 3.972 1.00 0.00 C ATOM 934 CG ASP A 58 7.317 3.530 5.409 1.00 0.00 C ATOM 935 OD1 ASP A 58 7.832 4.211 6.321 1.00 0.00 O ATOM 936 OD2 ASP A 58 6.561 2.560 5.622 1.00 0.00 O ATOM 0 H ASP A 58 5.645 3.506 2.437 1.00 0.00 H new ATOM 0 HA ASP A 58 6.406 5.642 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.524 3.016 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.664 4.225 3.899 1.00 0.00 H new ATOM 941 N LYS A 59 6.972 5.873 1.194 1.00 0.00 N ATOM 942 CA LYS A 59 7.595 6.651 0.130 1.00 0.00 C ATOM 943 C LYS A 59 6.697 7.808 -0.296 1.00 0.00 C ATOM 944 O LYS A 59 6.863 8.370 -1.379 1.00 0.00 O ATOM 945 CB LYS A 59 7.898 5.756 -1.074 1.00 0.00 C ATOM 946 CG LYS A 59 8.841 4.609 -0.758 1.00 0.00 C ATOM 947 CD LYS A 59 10.281 5.083 -0.655 1.00 0.00 C ATOM 948 CE LYS A 59 11.118 4.143 0.198 1.00 0.00 C ATOM 949 NZ LYS A 59 11.333 2.830 -0.471 1.00 0.00 N ATOM 0 H LYS A 59 6.145 5.350 0.905 1.00 0.00 H new ATOM 0 HA LYS A 59 8.529 7.062 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.962 5.350 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.332 6.364 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.543 4.140 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.762 3.848 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.714 5.153 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.306 6.085 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.082 4.605 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.624 3.986 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.244 2.065 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.621 2.701 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.284 2.806 -0.891 1.00 0.00 H new ATOM 963 N HIS A 60 5.744 8.159 0.563 1.00 0.00 N ATOM 964 CA HIS A 60 4.821 9.250 0.276 1.00 0.00 C ATOM 965 C HIS A 60 4.207 9.092 -1.112 1.00 0.00 C ATOM 966 O HIS A 60 4.237 10.016 -1.924 1.00 0.00 O ATOM 967 CB HIS A 60 5.541 10.595 0.377 1.00 0.00 C ATOM 968 CG HIS A 60 6.000 10.926 1.764 1.00 0.00 C ATOM 969 ND1 HIS A 60 5.963 12.202 2.285 1.00 0.00 N ATOM 970 CD2 HIS A 60 6.508 10.137 2.740 1.00 0.00 C ATOM 971 CE1 HIS A 60 6.430 12.184 3.521 1.00 0.00 C ATOM 972 NE2 HIS A 60 6.767 10.943 3.821 1.00 0.00 N ATOM 0 H HIS A 60 5.592 7.703 1.463 1.00 0.00 H new ATOM 0 HA HIS A 60 4.020 9.218 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.403 10.587 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.874 11.382 0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.678 9.072 2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.521 13.039 4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.157 10.633 4.711 1.00 0.00 H new ATOM 981 N ASN A 61 3.650 7.914 -1.376 1.00 0.00 N ATOM 982 CA ASN A 61 3.030 7.634 -2.666 1.00 0.00 C ATOM 983 C ASN A 61 1.508 7.669 -2.557 1.00 0.00 C ATOM 984 O ASN A 61 0.817 8.068 -3.495 1.00 0.00 O ATOM 985 CB ASN A 61 3.484 6.270 -3.189 1.00 0.00 C ATOM 986 CG ASN A 61 3.218 6.101 -4.672 1.00 0.00 C ATOM 987 OD1 ASN A 61 2.096 5.806 -5.083 1.00 0.00 O ATOM 988 ND2 ASN A 61 4.252 6.288 -5.484 1.00 0.00 N ATOM 0 H ASN A 61 3.615 7.139 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 61 3.344 8.407 -3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.550 6.147 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.969 5.483 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.133 6.188 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.165 6.532 -5.100 1.00 0.00 H new ATOM 995 N TYR A 62 0.994 7.247 -1.408 1.00 0.00 N ATOM 996 CA TYR A 62 -0.446 7.228 -1.176 1.00 0.00 C ATOM 997 C TYR A 62 -0.910 8.524 -0.519 1.00 0.00 C ATOM 998 O TYR A 62 -0.747 8.715 0.687 1.00 0.00 O ATOM 999 CB TYR A 62 -0.826 6.034 -0.299 1.00 0.00 C ATOM 1000 CG TYR A 62 -0.683 4.700 -0.997 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.213 4.496 -2.265 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.016 3.644 -0.389 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -1.085 3.279 -2.906 1.00 0.00 C ATOM 1004 CE2 TYR A 62 0.118 2.423 -1.022 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.418 2.246 -2.281 1.00 0.00 C ATOM 1006 OH TYR A 62 -0.287 1.033 -2.916 1.00 0.00 O ATOM 0 H TYR A 62 1.552 6.913 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.943 7.134 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.201 6.036 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.857 6.152 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.734 5.303 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.405 3.780 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.505 3.137 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.639 1.612 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 62 0.209 0.414 -2.340 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.488 9.412 -1.320 1.00 0.00 N ATOM 1017 CA LEU A 63 -1.977 10.691 -0.818 1.00 0.00 C ATOM 1018 C LEU A 63 -3.472 10.625 -0.524 1.00 0.00 C ATOM 1019 O LEU A 63 -4.024 11.497 0.149 1.00 0.00 O ATOM 1020 CB LEU A 63 -1.694 11.801 -1.831 1.00 0.00 C ATOM 1021 CG LEU A 63 -2.786 12.058 -2.869 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -3.794 13.070 -2.346 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -2.176 12.538 -4.178 1.00 0.00 C ATOM 0 H LEU A 63 -1.630 9.270 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.452 10.913 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.515 12.727 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.771 11.558 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.308 11.120 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.563 13.240 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.255 12.687 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.286 14.010 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.968 12.716 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.627 13.464 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.495 11.779 -4.562 1.00 0.00 H new ATOM 1035 N THR A 64 -4.125 9.583 -1.031 1.00 0.00 N ATOM 1036 CA THR A 64 -5.556 9.402 -0.823 1.00 0.00 C ATOM 1037 C THR A 64 -5.865 7.994 -0.328 1.00 0.00 C ATOM 1038 O THR A 64 -4.963 7.175 -0.154 1.00 0.00 O ATOM 1039 CB THR A 64 -6.350 9.666 -2.116 1.00 0.00 C ATOM 1040 OG1 THR A 64 -5.551 9.334 -3.257 1.00 0.00 O ATOM 1041 CG2 THR A 64 -6.781 11.123 -2.198 1.00 0.00 C ATOM 0 H THR A 64 -3.684 8.852 -1.589 1.00 0.00 H new ATOM 0 HA THR A 64 -5.860 10.125 -0.066 1.00 0.00 H new ATOM 0 HB THR A 64 -7.242 9.040 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.063 9.503 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.340 11.286 -3.119 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.412 11.364 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.900 11.764 -2.190 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.146 7.719 -0.104 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.574 6.408 0.368 1.00 0.00 C ATOM 1051 C ALA A 65 -7.878 5.476 -0.801 1.00 0.00 C ATOM 1052 O ALA A 65 -7.572 4.284 -0.754 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.794 6.543 1.267 1.00 0.00 C ATOM 0 H ALA A 65 -7.905 8.386 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.757 5.973 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.103 5.556 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.546 7.167 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.609 7.003 0.708 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.482 6.026 -1.849 1.00 0.00 N ATOM 1060 CA LYS A 66 -8.826 5.245 -3.031 1.00 0.00 C ATOM 1061 C LYS A 66 -7.576 4.660 -3.680 1.00 0.00 C ATOM 1062 O LYS A 66 -7.563 3.499 -4.090 1.00 0.00 O ATOM 1063 CB LYS A 66 -9.579 6.114 -4.040 1.00 0.00 C ATOM 1064 CG LYS A 66 -10.217 5.322 -5.169 1.00 0.00 C ATOM 1065 CD LYS A 66 -11.463 4.589 -4.701 1.00 0.00 C ATOM 1066 CE LYS A 66 -12.702 5.462 -4.823 1.00 0.00 C ATOM 1067 NZ LYS A 66 -13.801 4.993 -3.934 1.00 0.00 N ATOM 0 H LYS A 66 -8.743 7.010 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.469 4.423 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.354 6.674 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.889 6.844 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.475 5.995 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.498 4.604 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.596 3.682 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.336 4.279 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.447 6.492 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.046 5.461 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.628 5.614 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.062 4.019 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.482 5.018 -2.945 1.00 0.00 H new ATOM 1081 N ASP A 67 -6.528 5.471 -3.770 1.00 0.00 N ATOM 1082 CA ASP A 67 -5.272 5.033 -4.368 1.00 0.00 C ATOM 1083 C ASP A 67 -4.676 3.866 -3.586 1.00 0.00 C ATOM 1084 O ASP A 67 -3.846 3.118 -4.104 1.00 0.00 O ATOM 1085 CB ASP A 67 -4.274 6.191 -4.417 1.00 0.00 C ATOM 1086 CG ASP A 67 -3.148 5.944 -5.401 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -2.647 4.802 -5.454 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -2.767 6.893 -6.118 1.00 0.00 O ATOM 0 H ASP A 67 -6.523 6.435 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.480 4.699 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.798 7.107 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.856 6.349 -3.423 1.00 0.00 H new ATOM 1093 N PHE A 68 -5.104 3.717 -2.337 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.612 2.642 -1.483 1.00 0.00 C ATOM 1095 C PHE A 68 -5.443 1.376 -1.669 1.00 0.00 C ATOM 1096 O PHE A 68 -4.901 0.280 -1.820 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.641 3.074 -0.016 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.483 1.933 0.948 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.230 1.412 1.226 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.588 1.382 1.576 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.081 0.362 2.113 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.446 0.332 2.464 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.191 -0.179 2.732 1.00 0.00 C ATOM 0 H PHE A 68 -5.791 4.327 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.583 2.425 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.845 3.798 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.584 3.582 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.359 1.831 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.572 1.777 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.098 -0.035 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.315 -0.088 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.078 -1.000 3.424 1.00 0.00 H new ATOM 1113 N LEU A 69 -6.762 1.534 -1.655 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.669 0.404 -1.821 1.00 0.00 C ATOM 1115 C LEU A 69 -7.465 -0.264 -3.177 1.00 0.00 C ATOM 1116 O LEU A 69 -7.359 -1.487 -3.270 1.00 0.00 O ATOM 1117 CB LEU A 69 -9.121 0.866 -1.681 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.693 0.859 -0.263 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -11.013 1.613 -0.217 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -9.876 -0.569 0.231 1.00 0.00 C ATOM 0 H LEU A 69 -7.227 2.433 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.448 -0.325 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.199 1.878 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.746 0.229 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.986 1.363 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.406 1.598 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.853 2.645 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.727 1.137 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.284 -0.555 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.563 -1.098 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.913 -1.079 0.236 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.409 0.548 -4.228 1.00 0.00 N ATOM 1133 CA LYS A 70 -7.213 0.037 -5.580 1.00 0.00 C ATOM 1134 C LYS A 70 -6.020 -0.912 -5.636 1.00 0.00 C ATOM 1135 O LYS A 70 -6.004 -1.857 -6.424 1.00 0.00 O ATOM 1136 CB LYS A 70 -7.004 1.195 -6.559 1.00 0.00 C ATOM 1137 CG LYS A 70 -5.563 1.667 -6.643 1.00 0.00 C ATOM 1138 CD LYS A 70 -5.390 2.744 -7.701 1.00 0.00 C ATOM 1139 CE LYS A 70 -3.921 2.988 -8.013 1.00 0.00 C ATOM 1140 NZ LYS A 70 -3.744 3.788 -9.257 1.00 0.00 N ATOM 0 H LYS A 70 -7.497 1.563 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.108 -0.516 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.335 0.886 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.635 2.032 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.249 2.054 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.915 0.821 -6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.912 2.449 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.849 3.671 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.454 3.508 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.409 2.032 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.730 3.933 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.168 3.280 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.211 4.711 -9.146 1.00 0.00 H new ATOM 1154 N ASP A 71 -5.025 -0.654 -4.795 1.00 0.00 N ATOM 1155 CA ASP A 71 -3.830 -1.488 -4.747 1.00 0.00 C ATOM 1156 C ASP A 71 -4.129 -2.830 -4.087 1.00 0.00 C ATOM 1157 O ASP A 71 -3.515 -3.845 -4.417 1.00 0.00 O ATOM 1158 CB ASP A 71 -2.712 -0.770 -3.987 1.00 0.00 C ATOM 1159 CG ASP A 71 -1.583 -1.705 -3.600 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -1.824 -2.622 -2.787 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -0.459 -1.520 -4.110 1.00 0.00 O ATOM 0 H ASP A 71 -5.022 0.126 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.504 -1.672 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.317 0.037 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.124 -0.311 -3.088 1.00 0.00 H new ATOM 1166 N ILE A 72 -5.075 -2.828 -3.154 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.455 -4.045 -2.449 1.00 0.00 C ATOM 1168 C ILE A 72 -6.298 -4.954 -3.336 1.00 0.00 C ATOM 1169 O ILE A 72 -6.199 -6.179 -3.260 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.241 -3.729 -1.163 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.359 -2.966 -0.174 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -6.766 -5.011 -0.534 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -4.196 -3.779 0.351 1.00 0.00 C ATOM 0 H ILE A 72 -5.592 -1.996 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.530 -4.557 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.092 -3.099 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.975 -2.069 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.970 -2.637 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.319 -4.771 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.426 -5.518 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.929 -5.664 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.614 -3.174 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.573 -4.663 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.562 -4.086 -0.481 1.00 0.00 H new ATOM 1185 N ASP A 73 -7.125 -4.347 -4.180 1.00 0.00 N ATOM 1186 CA ASP A 73 -7.984 -5.101 -5.085 1.00 0.00 C ATOM 1187 C ASP A 73 -7.166 -5.739 -6.204 1.00 0.00 C ATOM 1188 O ASP A 73 -7.650 -6.620 -6.916 1.00 0.00 O ATOM 1189 CB ASP A 73 -9.060 -4.191 -5.679 1.00 0.00 C ATOM 1190 CG ASP A 73 -10.247 -4.969 -6.212 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -10.043 -6.097 -6.707 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -11.379 -4.449 -6.134 1.00 0.00 O ATOM 0 H ASP A 73 -7.219 -3.334 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.466 -5.894 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.401 -3.491 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.626 -3.598 -6.485 1.00 0.00 H new ATOM 1197 N LEU A 74 -5.925 -5.289 -6.354 1.00 0.00 N ATOM 1198 CA LEU A 74 -5.040 -5.815 -7.387 1.00 0.00 C ATOM 1199 C LEU A 74 -4.400 -7.125 -6.940 1.00 0.00 C ATOM 1200 O LEU A 74 -4.132 -8.007 -7.757 1.00 0.00 O ATOM 1201 CB LEU A 74 -3.954 -4.792 -7.725 1.00 0.00 C ATOM 1202 CG LEU A 74 -3.103 -5.099 -8.958 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.949 -5.027 -10.221 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -1.927 -4.138 -9.047 1.00 0.00 C ATOM 0 H LEU A 74 -5.509 -4.561 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.637 -6.010 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.429 -3.822 -7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.291 -4.698 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.712 -6.112 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.327 -5.248 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.758 -5.755 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.369 -4.026 -10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.332 -4.371 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.297 -3.115 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.307 -4.238 -8.156 1.00 0.00 H new ATOM 1216 N ILE A 75 -4.158 -7.246 -5.639 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.552 -8.449 -5.083 1.00 0.00 C ATOM 1218 C ILE A 75 -4.526 -9.622 -5.121 1.00 0.00 C ATOM 1219 O ILE A 75 -4.118 -10.777 -5.255 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.089 -8.228 -3.631 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.240 -6.959 -3.532 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.307 -9.435 -3.135 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -2.098 -6.436 -2.119 1.00 0.00 C ATOM 0 H ILE A 75 -4.373 -6.525 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.684 -8.679 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.968 -8.105 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.249 -7.162 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.686 -6.184 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.987 -9.264 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.941 -10.321 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.432 -9.587 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.484 -5.535 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.084 -6.201 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.624 -7.195 -1.496 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.813 -9.319 -5.005 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.847 -10.348 -5.026 1.00 0.00 C ATOM 1237 C CYS A 76 -7.030 -10.905 -6.434 1.00 0.00 C ATOM 1238 O CYS A 76 -7.187 -12.112 -6.620 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.171 -9.782 -4.513 1.00 0.00 C ATOM 1240 SG CYS A 76 -8.089 -9.120 -2.832 1.00 0.00 S ATOM 0 H CYS A 76 -6.167 -8.369 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.530 -11.160 -4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.502 -8.992 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.927 -10.567 -4.546 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.702 -9.927 -2.017 1.00 0.00 H new ATOM 1246 N SER A 77 -7.009 -10.018 -7.424 1.00 0.00 N ATOM 1247 CA SER A 77 -7.178 -10.419 -8.815 1.00 0.00 C ATOM 1248 C SER A 77 -6.017 -11.297 -9.272 1.00 0.00 C ATOM 1249 O SER A 77 -6.217 -12.418 -9.737 1.00 0.00 O ATOM 1250 CB SER A 77 -7.286 -9.187 -9.715 1.00 0.00 C ATOM 1251 OG SER A 77 -8.018 -9.477 -10.892 1.00 0.00 O ATOM 0 H SER A 77 -6.876 -9.016 -7.288 1.00 0.00 H new ATOM 0 HA SER A 77 -8.099 -10.996 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.772 -8.377 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.288 -8.838 -9.981 1.00 0.00 H new ATOM 0 HG SER A 77 -8.074 -8.673 -11.449 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.801 -10.776 -9.136 1.00 0.00 N ATOM 1258 CA ASN A 78 -3.606 -11.511 -9.536 1.00 0.00 C ATOM 1259 C ASN A 78 -3.609 -12.917 -8.944 1.00 0.00 C ATOM 1260 O ASN A 78 -3.475 -13.905 -9.665 1.00 0.00 O ATOM 1261 CB ASN A 78 -2.349 -10.761 -9.091 1.00 0.00 C ATOM 1262 CG ASN A 78 -2.244 -9.385 -9.720 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.964 -9.066 -10.666 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -1.342 -8.562 -9.196 1.00 0.00 N ATOM 0 H ASN A 78 -4.618 -9.849 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.607 -11.594 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.353 -10.662 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.468 -11.346 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.225 -7.623 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.766 -8.869 -8.412 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.763 -12.998 -7.627 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.786 -14.283 -6.938 1.00 0.00 C ATOM 1273 C ALA A 79 -4.567 -15.321 -7.738 1.00 0.00 C ATOM 1274 O ALA A 79 -4.288 -16.518 -7.660 1.00 0.00 O ATOM 1275 CB ALA A 79 -4.385 -14.126 -5.548 1.00 0.00 C ATOM 0 H ALA A 79 -3.874 -12.189 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.759 -14.634 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.396 -15.093 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.784 -13.423 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.404 -13.749 -5.632 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.545 -14.855 -8.507 1.00 0.00 N ATOM 1282 CA LEU A 80 -6.367 -15.743 -9.321 1.00 0.00 C ATOM 1283 C LEU A 80 -5.767 -15.916 -10.713 1.00 0.00 C ATOM 1284 O LEU A 80 -5.790 -17.009 -11.277 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.790 -15.195 -9.432 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.581 -15.112 -8.126 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.897 -14.381 -8.344 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -8.829 -16.504 -7.563 1.00 0.00 C ATOM 0 H LEU A 80 -5.788 -13.867 -8.584 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.397 -16.718 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.741 -14.197 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.345 -15.821 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.992 -14.549 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.446 -14.332 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.697 -13.371 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.492 -14.916 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.393 -16.425 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.397 -17.092 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.875 -16.993 -7.368 1.00 0.00 H new ATOM 1300 N GLU A 81 -5.228 -14.830 -11.259 1.00 0.00 N ATOM 1301 CA GLU A 81 -4.621 -14.863 -12.584 1.00 0.00 C ATOM 1302 C GLU A 81 -3.739 -16.098 -12.748 1.00 0.00 C ATOM 1303 O GLU A 81 -3.988 -16.942 -13.609 1.00 0.00 O ATOM 1304 CB GLU A 81 -3.794 -13.598 -12.822 1.00 0.00 C ATOM 1305 CG GLU A 81 -4.610 -12.428 -13.345 1.00 0.00 C ATOM 1306 CD GLU A 81 -5.046 -12.617 -14.785 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -5.117 -13.780 -15.234 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -5.316 -11.603 -15.462 1.00 0.00 O ATOM 0 H GLU A 81 -5.200 -13.917 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.422 -14.909 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.314 -13.307 -11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.999 -13.822 -13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.491 -12.295 -12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.021 -11.514 -13.265 1.00 0.00 H new ATOM 1315 N TYR A 82 -2.709 -16.196 -11.915 1.00 0.00 N ATOM 1316 CA TYR A 82 -1.788 -17.326 -11.969 1.00 0.00 C ATOM 1317 C TYR A 82 -1.868 -18.155 -10.691 1.00 0.00 C ATOM 1318 O TYR A 82 -1.234 -17.833 -9.688 1.00 0.00 O ATOM 1319 CB TYR A 82 -0.355 -16.833 -12.181 1.00 0.00 C ATOM 1320 CG TYR A 82 -0.239 -15.735 -13.215 1.00 0.00 C ATOM 1321 CD1 TYR A 82 -0.741 -14.464 -12.965 1.00 0.00 C ATOM 1322 CD2 TYR A 82 0.371 -15.969 -14.440 1.00 0.00 C ATOM 1323 CE1 TYR A 82 -0.638 -13.458 -13.906 1.00 0.00 C ATOM 1324 CE2 TYR A 82 0.480 -14.969 -15.387 1.00 0.00 C ATOM 1325 CZ TYR A 82 -0.026 -13.715 -15.115 1.00 0.00 C ATOM 1326 OH TYR A 82 0.079 -12.717 -16.056 1.00 0.00 O ATOM 0 H TYR A 82 -2.491 -15.507 -11.195 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.076 -17.958 -12.809 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.040 -16.470 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.268 -17.674 -12.485 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.220 -14.259 -12.019 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.767 -16.950 -14.656 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.035 -12.476 -13.696 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.959 -15.168 -16.335 1.00 0.00 H new ATOM 0 HH TYR A 82 0.537 -13.063 -16.850 1.00 0.00 H new ATOM 1431 N ASP A 90 -6.140 -24.988 -2.923 1.00 0.00 N ATOM 1432 CA ASP A 90 -6.486 -23.886 -3.814 1.00 0.00 C ATOM 1433 C ASP A 90 -7.907 -23.399 -3.549 1.00 0.00 C ATOM 1434 O ASP A 90 -8.165 -22.196 -3.504 1.00 0.00 O ATOM 1435 CB ASP A 90 -6.345 -24.319 -5.274 1.00 0.00 C ATOM 1436 CG ASP A 90 -6.553 -23.170 -6.241 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -6.244 -22.018 -5.869 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -7.025 -23.421 -7.370 1.00 0.00 O ATOM 0 HA ASP A 90 -5.797 -23.064 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.354 -24.746 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.068 -25.106 -5.488 1.00 0.00 H new ATOM 1443 N LYS A 91 -8.827 -24.342 -3.375 1.00 0.00 N ATOM 1444 CA LYS A 91 -10.223 -24.010 -3.114 1.00 0.00 C ATOM 1445 C LYS A 91 -10.338 -22.978 -1.997 1.00 0.00 C ATOM 1446 O LYS A 91 -11.279 -22.184 -1.968 1.00 0.00 O ATOM 1447 CB LYS A 91 -11.006 -25.271 -2.741 1.00 0.00 C ATOM 1448 CG LYS A 91 -10.507 -25.945 -1.475 1.00 0.00 C ATOM 1449 CD LYS A 91 -11.441 -27.057 -1.029 1.00 0.00 C ATOM 1450 CE LYS A 91 -11.055 -28.391 -1.648 1.00 0.00 C ATOM 1451 NZ LYS A 91 -9.922 -29.031 -0.924 1.00 0.00 N ATOM 0 H LYS A 91 -8.631 -25.342 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.645 -23.582 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.057 -25.012 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.950 -25.981 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.511 -26.353 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.415 -25.205 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.418 -27.139 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.465 -26.808 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.916 -29.059 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.780 -28.241 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.689 -29.938 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.092 -28.405 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.193 -29.198 0.066 1.00 0.00 H new ATOM 1465 N ILE A 92 -9.374 -22.993 -1.083 1.00 0.00 N ATOM 1466 CA ILE A 92 -9.367 -22.056 0.034 1.00 0.00 C ATOM 1467 C ILE A 92 -8.939 -20.664 -0.419 1.00 0.00 C ATOM 1468 O ILE A 92 -9.720 -19.714 -0.361 1.00 0.00 O ATOM 1469 CB ILE A 92 -8.428 -22.529 1.159 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -8.690 -24.000 1.488 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -8.607 -21.663 2.398 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -10.082 -24.262 2.018 1.00 0.00 C ATOM 0 H ILE A 92 -8.588 -23.643 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.387 -22.013 0.417 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.398 -22.431 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.533 -24.598 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.960 -24.335 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.937 -22.010 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.375 -20.626 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.638 -21.732 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.197 -25.325 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.236 -23.691 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.818 -23.959 1.273 1.00 0.00 H new ATOM 1484 N ILE A 93 -7.695 -20.552 -0.872 1.00 0.00 N ATOM 1485 CA ILE A 93 -7.164 -19.277 -1.338 1.00 0.00 C ATOM 1486 C ILE A 93 -8.224 -18.484 -2.094 1.00 0.00 C ATOM 1487 O ILE A 93 -8.546 -17.353 -1.730 1.00 0.00 O ATOM 1488 CB ILE A 93 -5.940 -19.476 -2.250 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.856 -20.271 -1.519 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -5.398 -18.131 -2.711 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -3.582 -20.433 -2.319 1.00 0.00 C ATOM 0 H ILE A 93 -7.036 -21.329 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.859 -18.720 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.249 -20.042 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.624 -19.773 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.246 -21.258 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.533 -18.289 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.171 -17.598 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.102 -17.541 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.859 -21.006 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.800 -20.959 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.168 -19.451 -2.546 1.00 0.00 H new ATOM 1503 N ARG A 94 -8.765 -19.086 -3.149 1.00 0.00 N ATOM 1504 CA ARG A 94 -9.790 -18.436 -3.957 1.00 0.00 C ATOM 1505 C ARG A 94 -10.785 -17.688 -3.074 1.00 0.00 C ATOM 1506 O ARG A 94 -11.118 -16.532 -3.338 1.00 0.00 O ATOM 1507 CB ARG A 94 -10.526 -19.469 -4.812 1.00 0.00 C ATOM 1508 CG ARG A 94 -9.885 -19.705 -6.169 1.00 0.00 C ATOM 1509 CD ARG A 94 -8.820 -20.789 -6.101 1.00 0.00 C ATOM 1510 NE ARG A 94 -9.403 -22.121 -5.964 1.00 0.00 N ATOM 1511 CZ ARG A 94 -10.041 -22.748 -6.946 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -10.177 -22.168 -8.130 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -10.544 -23.960 -6.744 1.00 0.00 N ATOM 0 H ARG A 94 -8.510 -20.022 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.299 -17.716 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.567 -20.414 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.555 -19.140 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.651 -19.991 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.439 -18.777 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.207 -20.752 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.158 -20.594 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.316 -22.596 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.791 -21.237 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.667 -22.652 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.441 -24.410 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.034 -24.441 -7.498 1.00 0.00 H new ATOM 1527 N HIS A 95 -11.257 -18.356 -2.026 1.00 0.00 N ATOM 1528 CA HIS A 95 -12.214 -17.754 -1.105 1.00 0.00 C ATOM 1529 C HIS A 95 -11.547 -16.677 -0.254 1.00 0.00 C ATOM 1530 O HIS A 95 -12.131 -15.624 0.002 1.00 0.00 O ATOM 1531 CB HIS A 95 -12.828 -18.825 -0.202 1.00 0.00 C ATOM 1532 CG HIS A 95 -13.842 -18.289 0.760 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -13.875 -18.640 2.093 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -14.864 -17.420 0.577 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -14.873 -18.012 2.688 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -15.489 -17.264 1.789 1.00 0.00 N ATOM 0 H HIS A 95 -10.993 -19.313 -1.794 1.00 0.00 H new ATOM 0 HA HIS A 95 -13.004 -17.289 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -13.297 -19.587 -0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -12.032 -19.316 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -15.137 -16.939 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -15.140 -18.095 3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -16.297 -16.668 1.967 1.00 0.00 H new ATOM 1545 N ARG A 96 -10.321 -16.949 0.181 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.575 -16.005 1.004 1.00 0.00 C ATOM 1547 C ARG A 96 -9.423 -14.664 0.290 1.00 0.00 C ATOM 1548 O ARG A 96 -9.712 -13.611 0.858 1.00 0.00 O ATOM 1549 CB ARG A 96 -8.197 -16.572 1.347 1.00 0.00 C ATOM 1550 CG ARG A 96 -8.246 -17.953 1.979 1.00 0.00 C ATOM 1551 CD ARG A 96 -8.658 -17.882 3.441 1.00 0.00 C ATOM 1552 NE ARG A 96 -7.542 -17.512 4.306 1.00 0.00 N ATOM 1553 CZ ARG A 96 -6.590 -18.360 4.682 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -6.620 -19.620 4.270 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -5.607 -17.948 5.472 1.00 0.00 N ATOM 0 H ARG A 96 -9.823 -17.816 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.133 -15.845 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.597 -16.619 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.691 -15.888 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.950 -18.580 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.267 -18.426 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.462 -17.155 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.054 -18.848 3.753 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.490 -16.550 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.375 -19.940 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.888 -20.269 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.581 -16.980 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.877 -18.600 5.760 1.00 0.00 H new ATOM 1569 N ALA A 97 -8.966 -14.712 -0.957 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.776 -13.503 -1.748 1.00 0.00 C ATOM 1571 C ALA A 97 -9.935 -12.532 -1.552 1.00 0.00 C ATOM 1572 O ALA A 97 -9.728 -11.359 -1.237 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.623 -13.854 -3.221 1.00 0.00 C ATOM 0 H ALA A 97 -8.721 -15.576 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.864 -13.014 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.482 -12.941 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.758 -14.504 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.519 -14.368 -3.567 1.00 0.00 H new ATOM 1579 N CYS A 98 -11.154 -13.026 -1.741 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.346 -12.200 -1.587 1.00 0.00 C ATOM 1581 C CYS A 98 -12.452 -11.659 -0.165 1.00 0.00 C ATOM 1582 O CYS A 98 -12.758 -10.484 0.043 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.599 -13.007 -1.933 1.00 0.00 C ATOM 1584 SG CYS A 98 -15.042 -11.994 -2.332 1.00 0.00 S ATOM 0 H CYS A 98 -11.342 -13.994 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 98 -12.265 -11.356 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.378 -13.655 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -13.845 -13.655 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 98 -16.050 -12.766 -2.612 1.00 0.00 H new ATOM 1590 N THR A 99 -12.199 -12.524 0.813 1.00 0.00 N ATOM 1591 CA THR A 99 -12.269 -12.134 2.215 1.00 0.00 C ATOM 1592 C THR A 99 -11.406 -10.908 2.489 1.00 0.00 C ATOM 1593 O THR A 99 -11.823 -9.987 3.193 1.00 0.00 O ATOM 1594 CB THR A 99 -11.819 -13.281 3.140 1.00 0.00 C ATOM 1595 OG1 THR A 99 -12.673 -14.417 2.963 1.00 0.00 O ATOM 1596 CG2 THR A 99 -11.844 -12.843 4.597 1.00 0.00 C ATOM 0 H THR A 99 -11.944 -13.499 0.659 1.00 0.00 H new ATOM 0 HA THR A 99 -13.312 -11.895 2.425 1.00 0.00 H new ATOM 0 HB THR A 99 -10.797 -13.551 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.540 -14.790 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.522 -13.669 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.171 -11.997 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 99 -12.857 -12.548 4.871 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.202 -10.901 1.927 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.279 -9.786 2.110 1.00 0.00 C ATOM 1606 C LEU A 100 -9.921 -8.471 1.677 1.00 0.00 C ATOM 1607 O LEU A 100 -10.071 -7.548 2.478 1.00 0.00 O ATOM 1608 CB LEU A 100 -7.995 -10.025 1.315 1.00 0.00 C ATOM 1609 CG LEU A 100 -6.998 -8.866 1.284 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.234 -8.784 2.596 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -6.038 -9.019 0.114 1.00 0.00 C ATOM 0 H LEU A 100 -9.842 -11.654 1.341 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.035 -9.719 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.492 -10.899 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.268 -10.271 0.289 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.554 -7.938 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.529 -7.953 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.935 -8.626 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.690 -9.714 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.336 -8.185 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.489 -9.955 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.601 -9.026 -0.820 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.301 -8.394 0.406 1.00 0.00 N ATOM 1624 CA LYS A 101 -10.930 -7.195 -0.134 1.00 0.00 C ATOM 1625 C LYS A 101 -12.007 -6.673 0.812 1.00 0.00 C ATOM 1626 O LYS A 101 -11.998 -5.502 1.193 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.540 -7.488 -1.506 1.00 0.00 C ATOM 1628 CG LYS A 101 -11.725 -6.250 -2.367 1.00 0.00 C ATOM 1629 CD LYS A 101 -12.134 -6.613 -3.784 1.00 0.00 C ATOM 1630 CE LYS A 101 -13.646 -6.690 -3.925 1.00 0.00 C ATOM 1631 NZ LYS A 101 -14.249 -5.351 -4.173 1.00 0.00 N ATOM 0 H LYS A 101 -10.184 -9.149 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.162 -6.429 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.901 -8.196 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.507 -7.972 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.484 -5.606 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.796 -5.680 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.740 -5.871 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.693 -7.572 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.900 -7.361 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.074 -7.119 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.281 -5.446 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.028 -4.718 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.860 -4.952 -5.051 1.00 0.00 H new ATOM 1645 N ASP A 102 -12.932 -7.549 1.189 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.014 -7.177 2.093 1.00 0.00 C ATOM 1647 C ASP A 102 -13.463 -6.567 3.378 1.00 0.00 C ATOM 1648 O ASP A 102 -13.844 -5.462 3.767 1.00 0.00 O ATOM 1649 CB ASP A 102 -14.876 -8.397 2.421 1.00 0.00 C ATOM 1650 CG ASP A 102 -15.600 -8.939 1.204 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -16.087 -8.125 0.392 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -15.677 -10.177 1.064 1.00 0.00 O ATOM 0 H ASP A 102 -12.954 -8.522 0.883 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.631 -6.430 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.246 -9.180 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.606 -8.128 3.184 1.00 0.00 H new ATOM 1657 N THR A 103 -12.565 -7.294 4.035 1.00 0.00 N ATOM 1658 CA THR A 103 -11.964 -6.827 5.277 1.00 0.00 C ATOM 1659 C THR A 103 -11.332 -5.451 5.099 1.00 0.00 C ATOM 1660 O THR A 103 -11.789 -4.468 5.681 1.00 0.00 O ATOM 1661 CB THR A 103 -10.892 -7.808 5.787 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.453 -9.119 5.923 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.331 -7.351 7.125 1.00 0.00 C ATOM 0 H THR A 103 -12.238 -8.210 3.727 1.00 0.00 H new ATOM 0 HA THR A 103 -12.767 -6.764 6.011 1.00 0.00 H new ATOM 0 HB THR A 103 -10.080 -7.833 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.557 -9.524 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.576 -8.060 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.879 -6.366 7.012 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.136 -7.299 7.858 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.281 -5.388 4.288 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.588 -4.131 4.031 1.00 0.00 C ATOM 1673 C ALA A 104 -10.578 -3.013 3.721 1.00 0.00 C ATOM 1674 O ALA A 104 -10.517 -1.935 4.313 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.601 -4.298 2.885 1.00 0.00 C ATOM 0 H ALA A 104 -9.891 -6.193 3.798 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.039 -3.855 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.091 -3.352 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.868 -5.062 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.136 -4.600 1.985 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.489 -3.277 2.790 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.492 -2.291 2.401 1.00 0.00 C ATOM 1683 C HIS A 105 -13.393 -1.939 3.581 1.00 0.00 C ATOM 1684 O HIS A 105 -13.871 -0.811 3.694 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.334 -2.821 1.240 1.00 0.00 C ATOM 1686 CG HIS A 105 -12.702 -2.615 -0.102 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -11.709 -3.291 -0.726 1.00 0.00 N flip ATOM 1688 CD2 HIS A 105 -13.082 -1.610 -0.966 1.00 0.00 C flip ATOM 1689 CE1 HIS A 105 -11.510 -2.689 -1.944 1.00 0.00 C flip ATOM 1690 NE2 HIS A 105 -12.352 -1.677 -2.065 1.00 0.00 N flip ATOM 0 H HIS A 105 -11.554 -4.164 2.291 1.00 0.00 H new ATOM 0 HA HIS A 105 -11.974 -1.387 2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.513 -3.886 1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.307 -2.329 1.254 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -11.203 -4.097 -0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -13.856 -0.881 -0.774 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -10.784 -2.993 -2.683 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.621 -2.913 4.456 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.464 -2.705 5.627 1.00 0.00 C ATOM 1701 C ALA A 106 -13.796 -1.766 6.625 1.00 0.00 C ATOM 1702 O ALA A 106 -14.451 -0.910 7.221 1.00 0.00 O ATOM 1703 CB ALA A 106 -14.786 -4.037 6.288 1.00 0.00 C ATOM 0 H ALA A 106 -13.234 -3.853 4.376 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.393 -2.241 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.416 -3.867 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.312 -4.677 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.861 -4.523 6.597 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.489 -1.930 6.802 1.00 0.00 N ATOM 1710 CA ILE A 107 -11.733 -1.096 7.727 1.00 0.00 C ATOM 1711 C ILE A 107 -11.652 0.343 7.229 1.00 0.00 C ATOM 1712 O ILE A 107 -11.661 1.286 8.021 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.306 -1.637 7.936 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.353 -3.032 8.562 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.501 -0.685 8.808 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.137 -3.876 8.248 1.00 0.00 C ATOM 0 H ILE A 107 -11.932 -2.633 6.317 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.264 -1.119 8.679 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.815 -1.712 6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.447 -2.933 9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.245 -3.550 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.495 -1.081 8.947 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.444 0.290 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.987 -0.581 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.238 -4.851 8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.053 -4.006 7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.243 -3.380 8.625 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.574 0.504 5.912 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.494 1.828 5.308 1.00 0.00 C ATOM 1730 C ILE A 108 -12.852 2.521 5.321 1.00 0.00 C ATOM 1731 O ILE A 108 -12.994 3.621 5.853 1.00 0.00 O ATOM 1732 CB ILE A 108 -10.981 1.755 3.858 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.621 1.056 3.810 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.887 3.151 3.259 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.475 1.929 4.271 1.00 0.00 C ATOM 0 H ILE A 108 -11.565 -0.266 5.243 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.789 2.405 5.906 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.688 1.174 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.659 0.162 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.427 0.726 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.523 3.083 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.873 3.616 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.198 3.755 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.543 1.368 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.410 2.811 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.645 2.238 5.302 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.849 1.868 4.733 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.197 2.419 4.680 1.00 0.00 C ATOM 1749 C ALA A 109 -15.750 2.653 6.082 1.00 0.00 C ATOM 1750 O ALA A 109 -16.627 3.493 6.281 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.116 1.493 3.896 1.00 0.00 C ATOM 0 H ALA A 109 -13.748 0.956 4.287 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.149 3.382 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.120 1.917 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.738 1.380 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.150 0.518 4.381 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.232 1.905 7.050 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.673 2.032 8.433 1.00 0.00 C ATOM 1759 C ALA A 110 -14.945 3.171 9.139 1.00 0.00 C ATOM 1760 O ALA A 110 -15.574 4.065 9.705 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.457 0.723 9.179 1.00 0.00 C ATOM 0 H ALA A 110 -14.506 1.204 6.902 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.738 2.263 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.791 0.833 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.028 -0.070 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.398 0.467 9.166 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.617 3.132 9.101 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.804 4.161 9.739 1.00 0.00 C ATOM 1769 C GLU A 111 -12.807 5.445 8.915 1.00 0.00 C ATOM 1770 O GLU A 111 -13.335 6.472 9.344 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.369 3.665 9.928 1.00 0.00 C ATOM 1772 CG GLU A 111 -11.246 2.517 10.915 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.865 2.425 11.534 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -9.394 3.439 12.089 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -9.256 1.337 11.464 1.00 0.00 O ATOM 0 H GLU A 111 -13.081 2.399 8.635 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.237 4.376 10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.974 3.347 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.749 4.494 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.987 2.641 11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.476 1.580 10.407 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.212 5.380 7.728 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.145 6.537 6.842 1.00 0.00 C ATOM 1784 C LEU A 112 -13.488 7.257 6.783 1.00 0.00 C ATOM 1785 O LEU A 112 -14.425 6.792 6.133 1.00 0.00 O ATOM 1786 CB LEU A 112 -11.723 6.103 5.437 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.238 7.217 4.508 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -9.943 7.821 5.030 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.050 6.688 3.094 1.00 0.00 C ATOM 0 H LEU A 112 -11.770 4.539 7.358 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.402 7.227 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.928 5.363 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.568 5.604 4.963 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.996 8.000 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.613 8.612 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.110 8.237 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.177 7.048 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.705 7.494 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.311 5.886 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.999 6.304 2.720 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.573 8.394 7.464 1.00 0.00 N ATOM 1802 CA ASP A 113 -14.801 9.182 7.486 1.00 0.00 C ATOM 1803 C ASP A 113 -15.094 9.770 6.110 1.00 0.00 C ATOM 1804 O ASP A 113 -14.200 9.960 5.285 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.694 10.302 8.522 1.00 0.00 C ATOM 1806 CG ASP A 113 -14.981 9.819 9.930 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -16.171 9.759 10.306 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.016 9.499 10.655 1.00 0.00 O ATOM 0 H ASP A 113 -12.807 8.791 8.008 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.623 8.521 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.693 10.732 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.392 11.098 8.265 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.378 10.065 5.853 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.819 10.636 4.577 1.00 0.00 C ATOM 1815 C PRO A 114 -16.349 12.075 4.392 1.00 0.00 C ATOM 1816 O PRO A 114 -16.417 12.622 3.292 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.346 10.580 4.673 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.635 10.596 6.134 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.496 9.865 6.790 1.00 0.00 C ATOM 0 HA PRO A 114 -16.411 10.093 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.806 11.430 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.739 9.679 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.709 11.618 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.586 10.109 6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.272 10.272 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -17.722 8.807 6.926 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.873 12.681 5.476 1.00 0.00 N ATOM 1828 CA GLU A 115 -15.393 14.057 5.431 1.00 0.00 C ATOM 1829 C GLU A 115 -13.873 14.099 5.306 1.00 0.00 C ATOM 1830 O GLU A 115 -13.314 15.006 4.689 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.834 14.815 6.685 1.00 0.00 C ATOM 1832 CG GLU A 115 -15.453 14.120 7.981 1.00 0.00 C ATOM 1833 CD GLU A 115 -15.888 14.897 9.209 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -17.077 14.804 9.578 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -15.040 15.598 9.800 1.00 0.00 O ATOM 0 H GLU A 115 -15.810 12.241 6.394 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.826 14.538 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.390 15.811 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.916 14.947 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.905 13.129 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.373 13.978 8.009 1.00 0.00 H new ATOM 1842 N PHE A 116 -13.209 13.110 5.896 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.753 13.034 5.853 1.00 0.00 C ATOM 1844 C PHE A 116 -11.274 12.559 4.484 1.00 0.00 C ATOM 1845 O PHE A 116 -10.237 13.000 3.991 1.00 0.00 O ATOM 1846 CB PHE A 116 -11.239 12.090 6.942 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.740 12.014 7.010 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -9.029 11.255 6.094 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -9.042 12.702 7.989 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.651 11.183 6.155 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.663 12.634 8.055 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.966 11.874 7.135 1.00 0.00 C ATOM 0 H PHE A 116 -13.656 12.350 6.409 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.356 14.033 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.622 12.419 7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.638 11.091 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.558 10.714 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.582 13.299 8.709 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.109 10.586 5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.131 13.174 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.888 11.821 7.182 1.00 0.00 H new ATOM 1862 N ASN A 117 -12.037 11.656 3.877 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.691 11.120 2.566 1.00 0.00 C ATOM 1864 C ASN A 117 -11.729 12.214 1.503 1.00 0.00 C ATOM 1865 O ASN A 117 -10.839 12.306 0.658 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.649 9.989 2.185 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.461 9.531 0.752 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -11.773 8.544 0.489 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.073 10.248 -0.184 1.00 0.00 N ATOM 0 H ASN A 117 -12.899 11.280 4.272 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.676 10.725 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.495 9.144 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.677 10.324 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.983 9.988 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.633 11.059 0.079 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.767 13.043 1.553 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.922 14.133 0.597 1.00 0.00 C ATOM 1878 C LYS A 118 -11.768 15.124 0.710 1.00 0.00 C ATOM 1879 O LYS A 118 -11.492 15.880 -0.223 1.00 0.00 O ATOM 1880 CB LYS A 118 -14.252 14.854 0.826 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.457 13.929 0.799 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.713 14.636 1.281 1.00 0.00 C ATOM 1883 CE LYS A 118 -17.970 13.959 0.757 1.00 0.00 C ATOM 1884 NZ LYS A 118 -18.325 14.432 -0.610 1.00 0.00 N ATOM 0 H LYS A 118 -13.513 12.980 2.246 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.915 13.707 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.218 15.365 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.376 15.621 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.612 13.561 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.264 13.060 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -16.731 14.645 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.695 15.676 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.821 12.879 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -18.799 14.156 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -19.187 13.947 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -18.492 15.458 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -17.544 14.221 -1.264 1.00 0.00 H new ATOM 1898 N LEU A 119 -11.097 15.116 1.856 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.972 16.014 2.091 1.00 0.00 C ATOM 1900 C LEU A 119 -8.696 15.464 1.460 1.00 0.00 C ATOM 1901 O LEU A 119 -8.091 16.105 0.600 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.764 16.222 3.592 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.908 16.909 4.339 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -10.793 16.660 5.835 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.917 18.401 4.044 1.00 0.00 C ATOM 0 H LEU A 119 -11.313 14.497 2.638 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.201 16.973 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.588 15.250 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.858 16.811 3.735 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.850 16.485 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.615 17.156 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.836 15.588 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.845 17.057 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.738 18.874 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.972 18.841 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.048 18.559 2.974 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.294 14.274 1.893 1.00 0.00 N ATOM 1918 CA CYS A 120 -7.091 13.637 1.370 1.00 0.00 C ATOM 1919 C CYS A 120 -7.014 13.783 -0.146 1.00 0.00 C ATOM 1920 O CYS A 120 -5.927 13.883 -0.715 1.00 0.00 O ATOM 1921 CB CYS A 120 -7.064 12.157 1.754 1.00 0.00 C ATOM 1922 SG CYS A 120 -8.243 11.135 0.840 1.00 0.00 S ATOM 0 H CYS A 120 -8.783 13.731 2.605 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.226 14.134 1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -6.059 11.768 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -7.271 12.066 2.820 1.00 0.00 H new ATOM 0 HG CYS A 120 -9.311 11.830 0.582 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.174 13.791 -0.795 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.237 13.922 -2.246 1.00 0.00 C ATOM 1930 C GLU A 121 -8.165 15.388 -2.664 1.00 0.00 C ATOM 1931 O GLU A 121 -7.491 15.734 -3.633 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.523 13.290 -2.782 1.00 0.00 C ATOM 1933 CG GLU A 121 -10.789 13.938 -2.247 1.00 0.00 C ATOM 1934 CD GLU A 121 -12.033 13.493 -2.991 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -12.338 14.087 -4.046 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -12.700 12.549 -2.518 1.00 0.00 O ATOM 0 H GLU A 121 -9.083 13.708 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.380 13.399 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.524 13.355 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.531 12.231 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.897 13.696 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.696 15.022 -2.319 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.866 16.243 -1.925 1.00 0.00 N ATOM 1944 CA GLU A 122 -8.882 17.671 -2.220 1.00 0.00 C ATOM 1945 C GLU A 122 -7.469 18.245 -2.210 1.00 0.00 C ATOM 1946 O GLU A 122 -7.213 19.304 -2.784 1.00 0.00 O ATOM 1947 CB GLU A 122 -9.754 18.414 -1.205 1.00 0.00 C ATOM 1948 CG GLU A 122 -10.311 19.727 -1.728 1.00 0.00 C ATOM 1949 CD GLU A 122 -11.611 19.549 -2.487 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -11.755 18.524 -3.185 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -12.484 20.435 -2.383 1.00 0.00 O ATOM 0 H GLU A 122 -9.429 15.972 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.302 17.805 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -10.582 17.770 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.166 18.610 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.473 20.407 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.575 20.195 -2.381 1.00 0.00 H new ATOM 1958 N ILE A 123 -6.554 17.539 -1.553 1.00 0.00 N ATOM 1959 CA ILE A 123 -5.167 17.977 -1.468 1.00 0.00 C ATOM 1960 C ILE A 123 -4.369 17.513 -2.682 1.00 0.00 C ATOM 1961 O ILE A 123 -3.435 18.187 -3.120 1.00 0.00 O ATOM 1962 CB ILE A 123 -4.488 17.452 -0.190 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -5.179 18.020 1.051 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.009 17.810 -0.190 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -4.995 17.168 2.288 1.00 0.00 C ATOM 0 H ILE A 123 -6.749 16.661 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.181 19.067 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.579 16.366 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -4.791 19.020 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.245 18.125 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.543 17.432 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.526 17.362 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.897 18.893 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.511 17.631 3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.408 16.175 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.933 17.083 2.517 1.00 0.00 H new ATOM 1977 N LYS A 124 -4.743 16.359 -3.224 1.00 0.00 N ATOM 1978 CA LYS A 124 -4.065 15.805 -4.390 1.00 0.00 C ATOM 1979 C LYS A 124 -4.022 16.820 -5.527 1.00 0.00 C ATOM 1980 O LYS A 124 -3.222 16.693 -6.454 1.00 0.00 O ATOM 1981 CB LYS A 124 -4.770 14.530 -4.857 1.00 0.00 C ATOM 1982 CG LYS A 124 -5.801 14.769 -5.947 1.00 0.00 C ATOM 1983 CD LYS A 124 -6.511 13.483 -6.335 1.00 0.00 C ATOM 1984 CE LYS A 124 -7.710 13.215 -5.438 1.00 0.00 C ATOM 1985 NZ LYS A 124 -8.730 12.368 -6.115 1.00 0.00 N ATOM 0 H LYS A 124 -5.513 15.789 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.042 15.563 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.023 13.825 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.259 14.061 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -6.533 15.500 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -5.313 15.195 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.839 13.546 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -5.814 12.648 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.377 12.722 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -8.162 14.162 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.270 11.838 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.377 12.973 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.256 11.700 -6.757 1.00 0.00 H new