USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ 143:sc= -0.661 (180deg=0) USER MOD Set 1.2: A 143 ASN : amide:sc= -1.12 K(o=-1.8,f=-3.2!) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -1.84 K(o=-2.3,f=-4.9!) USER MOD Set 2.2: A 70 CYS SG : rot 70:sc= -0.459 USER MOD Set 3.1: A 20 CYS SG : rot 97:sc= 0.185 USER MOD Set 3.2: A 37 MET CE :methyl 153:sc= -3.8! (180deg=-3.69!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0.273 (180deg=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -1.29 USER MOD Single : A 34 TYR OH : rot 110:sc= -0.64 USER MOD Single : A 42 GLN : amide:sc= -0.767 K(o=-0.77,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -13:sc= -0.176 USER MOD Single : A 56 ASN : amide:sc=-0.00662 X(o=-0.0066,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 71 TYR OH : rot 26:sc= 0.748 USER MOD Single : A 92 SER OG : rot 177:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00826 USER MOD Single : A 102 THR OG1 : rot -169:sc= 0.895 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 0:sc= -0.932 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 20:sc= -2.61! USER MOD Single : A 117 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 124 GLN : amide:sc= -0.587 K(o=-0.59,f=-3!) USER MOD Single : A 126 ASN : amide:sc= 0.0368 K(o=0.037,f=-2.8!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.253 7.094 -3.386 1.00 22.33 N ATOM 64 CA VAL A 14 -5.054 8.055 -2.637 1.00 72.33 C ATOM 65 C VAL A 14 -4.265 9.328 -2.356 1.00 44.12 C ATOM 66 O VAL A 14 -3.057 9.283 -2.119 1.00 75.34 O ATOM 67 CB VAL A 14 -5.541 7.460 -1.302 1.00 52.44 C ATOM 68 CG1 VAL A 14 -6.296 8.506 -0.496 1.00 2.22 C ATOM 69 CG2 VAL A 14 -6.410 6.237 -1.550 1.00 75.20 C ATOM 0 HA VAL A 14 -5.918 8.297 -3.255 1.00 72.33 H new ATOM 0 HB VAL A 14 -4.671 7.148 -0.724 1.00 52.44 H new ATOM 0 HG11 VAL A 14 -6.633 8.068 0.444 1.00 2.22 H new ATOM 0 HG12 VAL A 14 -5.638 9.350 -0.288 1.00 2.22 H new ATOM 0 HG13 VAL A 14 -7.159 8.851 -1.065 1.00 2.22 H new ATOM 0 HG21 VAL A 14 -6.745 5.829 -0.596 1.00 75.20 H new ATOM 0 HG22 VAL A 14 -7.276 6.521 -2.148 1.00 75.20 H new ATOM 0 HG23 VAL A 14 -5.832 5.482 -2.084 1.00 75.20 H new ATOM 79 N SER A 15 -4.955 10.464 -2.383 1.00 64.14 N ATOM 80 CA SER A 15 -4.317 11.752 -2.135 1.00 32.44 C ATOM 81 C SER A 15 -4.953 12.450 -0.936 1.00 61.13 C ATOM 82 O SER A 15 -6.175 12.467 -0.789 1.00 71.24 O ATOM 83 CB SER A 15 -4.421 12.644 -3.373 1.00 60.42 C ATOM 84 OG SER A 15 -3.146 13.120 -3.767 1.00 63.32 O ATOM 0 H SER A 15 -5.955 10.519 -2.574 1.00 64.14 H new ATOM 0 HA SER A 15 -3.265 11.572 -1.914 1.00 32.44 H new ATOM 0 HB2 SER A 15 -4.872 12.084 -4.192 1.00 60.42 H new ATOM 0 HB3 SER A 15 -5.079 13.488 -3.163 1.00 60.42 H new ATOM 0 HG SER A 15 -3.239 13.686 -4.561 1.00 63.32 H new ATOM 90 N VAL A 16 -4.114 13.026 -0.081 1.00 62.32 N ATOM 91 CA VAL A 16 -4.592 13.727 1.104 1.00 20.13 C ATOM 92 C VAL A 16 -4.971 15.166 0.776 1.00 55.43 C ATOM 93 O VAL A 16 -4.151 15.938 0.280 1.00 62.32 O ATOM 94 CB VAL A 16 -3.531 13.729 2.221 1.00 51.40 C ATOM 95 CG1 VAL A 16 -2.223 14.316 1.713 1.00 3.14 C ATOM 96 CG2 VAL A 16 -4.035 14.499 3.433 1.00 74.34 C ATOM 0 H VAL A 16 -3.100 13.021 -0.187 1.00 62.32 H new ATOM 0 HA VAL A 16 -5.476 13.192 1.453 1.00 20.13 H new ATOM 0 HB VAL A 16 -3.346 12.699 2.525 1.00 51.40 H new ATOM 0 HG11 VAL A 16 -1.485 14.309 2.515 1.00 3.14 H new ATOM 0 HG12 VAL A 16 -1.856 13.719 0.878 1.00 3.14 H new ATOM 0 HG13 VAL A 16 -2.389 15.341 1.381 1.00 3.14 H new ATOM 0 HG21 VAL A 16 -3.273 14.490 4.212 1.00 74.34 H new ATOM 0 HG22 VAL A 16 -4.249 15.529 3.147 1.00 74.34 H new ATOM 0 HG23 VAL A 16 -4.944 14.030 3.809 1.00 74.34 H new ATOM 106 N ALA A 17 -6.221 15.522 1.056 1.00 30.22 N ATOM 107 CA ALA A 17 -6.709 16.870 0.793 1.00 72.21 C ATOM 108 C ALA A 17 -6.031 17.887 1.704 1.00 3.10 C ATOM 109 O ALA A 17 -5.747 17.601 2.867 1.00 34.14 O ATOM 110 CB ALA A 17 -8.220 16.927 0.967 1.00 44.43 C ATOM 0 H ALA A 17 -6.914 14.895 1.465 1.00 30.22 H new ATOM 0 HA ALA A 17 -6.463 17.124 -0.238 1.00 72.21 H new ATOM 0 HB1 ALA A 17 -8.571 17.939 0.768 1.00 44.43 H new ATOM 0 HB2 ALA A 17 -8.693 16.235 0.270 1.00 44.43 H new ATOM 0 HB3 ALA A 17 -8.479 16.647 1.988 1.00 44.43 H new ATOM 116 N ASP A 18 -5.772 19.075 1.168 1.00 73.42 N ATOM 117 CA ASP A 18 -5.127 20.135 1.933 1.00 0.11 C ATOM 118 C ASP A 18 -5.873 20.394 3.238 1.00 0.42 C ATOM 119 O ASP A 18 -5.271 20.771 4.243 1.00 32.23 O ATOM 120 CB ASP A 18 -5.058 21.420 1.107 1.00 41.23 C ATOM 121 CG ASP A 18 -3.888 22.300 1.501 1.00 11.11 C ATOM 122 OD1 ASP A 18 -2.753 21.783 1.571 1.00 33.23 O ATOM 123 OD2 ASP A 18 -4.107 23.506 1.739 1.00 51.12 O ATOM 0 H ASP A 18 -5.999 19.328 0.206 1.00 73.42 H new ATOM 0 HA ASP A 18 -4.114 19.812 2.172 1.00 0.11 H new ATOM 0 HB2 ASP A 18 -4.977 21.165 0.050 1.00 41.23 H new ATOM 0 HB3 ASP A 18 -5.986 21.978 1.230 1.00 41.23 H new ATOM 128 N GLU A 19 -7.187 20.191 3.214 1.00 45.23 N ATOM 129 CA GLU A 19 -8.014 20.405 4.395 1.00 12.30 C ATOM 130 C GLU A 19 -7.619 19.449 5.516 1.00 34.45 C ATOM 131 O GLU A 19 -7.633 19.815 6.692 1.00 24.34 O ATOM 132 CB GLU A 19 -9.493 20.221 4.049 1.00 32.52 C ATOM 133 CG GLU A 19 -9.791 18.918 3.326 1.00 60.03 C ATOM 134 CD GLU A 19 -10.691 17.998 4.128 1.00 65.33 C ATOM 135 OE1 GLU A 19 -11.900 18.293 4.231 1.00 4.22 O ATOM 136 OE2 GLU A 19 -10.186 16.983 4.652 1.00 71.11 O ATOM 0 H GLU A 19 -7.701 19.879 2.390 1.00 45.23 H new ATOM 0 HA GLU A 19 -7.854 21.427 4.740 1.00 12.30 H new ATOM 0 HB2 GLU A 19 -10.080 20.260 4.967 1.00 32.52 H new ATOM 0 HB3 GLU A 19 -9.818 21.055 3.427 1.00 32.52 H new ATOM 0 HG2 GLU A 19 -10.263 19.138 2.369 1.00 60.03 H new ATOM 0 HG3 GLU A 19 -8.854 18.405 3.109 1.00 60.03 H new ATOM 143 N CYS A 20 -7.270 18.223 5.144 1.00 24.51 N ATOM 144 CA CYS A 20 -6.872 17.212 6.118 1.00 73.21 C ATOM 145 C CYS A 20 -5.520 17.553 6.734 1.00 24.05 C ATOM 146 O CYS A 20 -5.339 17.464 7.949 1.00 42.10 O ATOM 147 CB CYS A 20 -6.813 15.834 5.458 1.00 65.51 C ATOM 148 SG CYS A 20 -6.215 14.519 6.546 1.00 5.32 S ATOM 0 H CYS A 20 -7.254 17.904 4.175 1.00 24.51 H new ATOM 0 HA CYS A 20 -7.618 17.194 6.912 1.00 73.21 H new ATOM 0 HB2 CYS A 20 -7.809 15.571 5.101 1.00 65.51 H new ATOM 0 HB3 CYS A 20 -6.165 15.890 4.583 1.00 65.51 H new ATOM 0 HG CYS A 20 -7.228 13.883 7.055 1.00 5.32 H new ATOM 154 N VAL A 21 -4.571 17.942 5.889 1.00 41.42 N ATOM 155 CA VAL A 21 -3.234 18.296 6.350 1.00 2.41 C ATOM 156 C VAL A 21 -3.280 19.472 7.319 1.00 13.32 C ATOM 157 O VAL A 21 -2.677 19.432 8.392 1.00 20.01 O ATOM 158 CB VAL A 21 -2.309 18.653 5.171 1.00 55.31 C ATOM 159 CG1 VAL A 21 -0.906 18.966 5.668 1.00 53.22 C ATOM 160 CG2 VAL A 21 -2.284 17.523 4.153 1.00 21.24 C ATOM 0 H VAL A 21 -4.703 18.020 4.881 1.00 41.42 H new ATOM 0 HA VAL A 21 -2.835 17.421 6.863 1.00 2.41 H new ATOM 0 HB VAL A 21 -2.701 19.544 4.681 1.00 55.31 H new ATOM 0 HG11 VAL A 21 -0.267 19.216 4.821 1.00 53.22 H new ATOM 0 HG12 VAL A 21 -0.944 19.811 6.356 1.00 53.22 H new ATOM 0 HG13 VAL A 21 -0.500 18.096 6.184 1.00 53.22 H new ATOM 0 HG21 VAL A 21 -1.626 17.792 3.327 1.00 21.24 H new ATOM 0 HG22 VAL A 21 -1.917 16.613 4.628 1.00 21.24 H new ATOM 0 HG23 VAL A 21 -3.292 17.353 3.773 1.00 21.24 H new ATOM 170 N THR A 22 -4.001 20.521 6.935 1.00 75.02 N ATOM 171 CA THR A 22 -4.127 21.710 7.769 1.00 62.52 C ATOM 172 C THR A 22 -4.854 21.394 9.071 1.00 75.55 C ATOM 173 O THR A 22 -4.443 21.831 10.145 1.00 52.35 O ATOM 174 CB THR A 22 -4.879 22.835 7.034 1.00 61.13 C ATOM 175 OG1 THR A 22 -4.432 22.917 5.676 1.00 72.14 O ATOM 176 CG2 THR A 22 -4.662 24.172 7.726 1.00 54.34 C ATOM 0 H THR A 22 -4.507 20.571 6.051 1.00 75.02 H new ATOM 0 HA THR A 22 -3.115 22.047 7.994 1.00 62.52 H new ATOM 0 HB THR A 22 -5.944 22.603 7.052 1.00 61.13 H new ATOM 0 HG1 THR A 22 -4.873 22.222 5.144 1.00 72.14 H new ATOM 0 HG21 THR A 22 -5.203 24.952 7.189 1.00 54.34 H new ATOM 0 HG22 THR A 22 -5.030 24.115 8.751 1.00 54.34 H new ATOM 0 HG23 THR A 22 -3.598 24.409 7.735 1.00 54.34 H new ATOM 184 N ALA A 23 -5.937 20.630 8.967 1.00 15.13 N ATOM 185 CA ALA A 23 -6.721 20.253 10.137 1.00 2.34 C ATOM 186 C ALA A 23 -5.862 19.514 11.158 1.00 11.52 C ATOM 187 O ALA A 23 -5.960 19.761 12.361 1.00 24.42 O ATOM 188 CB ALA A 23 -7.908 19.396 9.724 1.00 22.11 C ATOM 0 H ALA A 23 -6.291 20.260 8.085 1.00 15.13 H new ATOM 0 HA ALA A 23 -7.092 21.165 10.605 1.00 2.34 H new ATOM 0 HB1 ALA A 23 -8.484 19.122 10.608 1.00 22.11 H new ATOM 0 HB2 ALA A 23 -8.541 19.958 9.038 1.00 22.11 H new ATOM 0 HB3 ALA A 23 -7.550 18.493 9.230 1.00 22.11 H new ATOM 194 N LEU A 24 -5.022 18.608 10.672 1.00 62.22 N ATOM 195 CA LEU A 24 -4.146 17.832 11.542 1.00 25.25 C ATOM 196 C LEU A 24 -3.066 18.717 12.157 1.00 32.15 C ATOM 197 O LEU A 24 -2.754 18.600 13.342 1.00 61.34 O ATOM 198 CB LEU A 24 -3.498 16.688 10.759 1.00 13.33 C ATOM 199 CG LEU A 24 -4.435 15.564 10.315 1.00 12.41 C ATOM 200 CD1 LEU A 24 -3.701 14.581 9.418 1.00 63.35 C ATOM 201 CD2 LEU A 24 -5.022 14.850 11.524 1.00 54.51 C ATOM 0 H LEU A 24 -4.929 18.392 9.679 1.00 62.22 H new ATOM 0 HA LEU A 24 -4.752 17.416 12.347 1.00 25.25 H new ATOM 0 HB2 LEU A 24 -3.019 17.106 9.873 1.00 13.33 H new ATOM 0 HB3 LEU A 24 -2.709 16.255 11.374 1.00 13.33 H new ATOM 0 HG LEU A 24 -5.254 16.003 9.745 1.00 12.41 H new ATOM 0 HD11 LEU A 24 -4.384 13.788 9.112 1.00 63.35 H new ATOM 0 HD12 LEU A 24 -3.330 15.101 8.535 1.00 63.35 H new ATOM 0 HD13 LEU A 24 -2.862 14.147 9.963 1.00 63.35 H new ATOM 0 HD21 LEU A 24 -5.686 14.053 11.189 1.00 54.51 H new ATOM 0 HD22 LEU A 24 -4.216 14.423 12.121 1.00 54.51 H new ATOM 0 HD23 LEU A 24 -5.585 15.561 12.129 1.00 54.51 H new ATOM 213 N ASN A 25 -2.502 19.604 11.345 1.00 45.04 N ATOM 214 CA ASN A 25 -1.458 20.511 11.809 1.00 31.23 C ATOM 215 C ASN A 25 -1.953 21.356 12.979 1.00 20.54 C ATOM 216 O ASN A 25 -1.261 21.506 13.986 1.00 5.32 O ATOM 217 CB ASN A 25 -0.998 21.420 10.668 1.00 70.10 C ATOM 218 CG ASN A 25 0.423 21.123 10.229 1.00 73.43 C ATOM 219 OD1 ASN A 25 0.762 19.981 9.917 1.00 32.11 O ATOM 220 ND2 ASN A 25 1.261 22.152 10.202 1.00 23.15 N ATOM 0 H ASN A 25 -2.750 19.715 10.362 1.00 45.04 H new ATOM 0 HA ASN A 25 -0.614 19.910 12.148 1.00 31.23 H new ATOM 0 HB2 ASN A 25 -1.670 21.301 9.818 1.00 70.10 H new ATOM 0 HB3 ASN A 25 -1.067 22.460 10.985 1.00 70.10 H new ATOM 0 HD21 ASN A 25 2.230 22.013 9.914 1.00 23.15 H new ATOM 0 HD22 ASN A 25 0.936 23.081 10.469 1.00 23.15 H new ATOM 227 N ASP A 26 -3.155 21.903 12.840 1.00 40.45 N ATOM 228 CA ASP A 26 -3.744 22.732 13.885 1.00 31.22 C ATOM 229 C ASP A 26 -4.160 21.882 15.082 1.00 75.13 C ATOM 230 O ASP A 26 -4.036 22.306 16.231 1.00 10.04 O ATOM 231 CB ASP A 26 -4.953 23.495 13.341 1.00 64.13 C ATOM 232 CG ASP A 26 -4.687 24.103 11.978 1.00 72.14 C ATOM 233 OD1 ASP A 26 -3.551 24.567 11.746 1.00 52.53 O ATOM 234 OD2 ASP A 26 -5.615 24.114 11.142 1.00 32.53 O ATOM 0 H ASP A 26 -3.741 21.787 12.013 1.00 40.45 H new ATOM 0 HA ASP A 26 -2.991 23.448 14.214 1.00 31.22 H new ATOM 0 HB2 ASP A 26 -5.806 22.819 13.274 1.00 64.13 H new ATOM 0 HB3 ASP A 26 -5.226 24.285 14.041 1.00 64.13 H new ATOM 239 N LEU A 27 -4.656 20.681 14.804 1.00 40.11 N ATOM 240 CA LEU A 27 -5.092 19.771 15.857 1.00 12.04 C ATOM 241 C LEU A 27 -3.934 19.417 16.785 1.00 72.31 C ATOM 242 O LEU A 27 -4.121 19.246 17.990 1.00 42.52 O ATOM 243 CB LEU A 27 -5.680 18.497 15.247 1.00 1.42 C ATOM 244 CG LEU A 27 -6.169 17.442 16.239 1.00 35.13 C ATOM 245 CD1 LEU A 27 -7.359 17.964 17.031 1.00 65.03 C ATOM 246 CD2 LEU A 27 -6.534 16.155 15.513 1.00 45.22 C ATOM 0 H LEU A 27 -4.766 20.315 13.858 1.00 40.11 H new ATOM 0 HA LEU A 27 -5.861 20.274 16.442 1.00 12.04 H new ATOM 0 HB2 LEU A 27 -6.515 18.777 14.605 1.00 1.42 H new ATOM 0 HB3 LEU A 27 -4.924 18.042 14.607 1.00 1.42 H new ATOM 0 HG LEU A 27 -5.360 17.226 16.937 1.00 35.13 H new ATOM 0 HD11 LEU A 27 -7.693 17.199 17.732 1.00 65.03 H new ATOM 0 HD12 LEU A 27 -7.066 18.858 17.582 1.00 65.03 H new ATOM 0 HD13 LEU A 27 -8.172 18.210 16.347 1.00 65.03 H new ATOM 0 HD21 LEU A 27 -6.880 15.415 16.235 1.00 45.22 H new ATOM 0 HD22 LEU A 27 -7.326 16.356 14.792 1.00 45.22 H new ATOM 0 HD23 LEU A 27 -5.658 15.770 14.991 1.00 45.22 H new ATOM 258 N ARG A 28 -2.738 19.309 16.215 1.00 12.33 N ATOM 259 CA ARG A 28 -1.550 18.976 16.991 1.00 3.52 C ATOM 260 C ARG A 28 -1.259 20.056 18.030 1.00 64.22 C ATOM 261 O ARG A 28 -0.621 19.794 19.050 1.00 10.45 O ATOM 262 CB ARG A 28 -0.343 18.804 16.067 1.00 41.41 C ATOM 263 CG ARG A 28 0.465 20.078 15.876 1.00 34.21 C ATOM 264 CD ARG A 28 1.195 20.080 14.542 1.00 31.22 C ATOM 265 NE ARG A 28 2.582 19.645 14.677 1.00 24.53 N ATOM 266 CZ ARG A 28 3.385 19.416 13.644 1.00 72.34 C ATOM 267 NH1 ARG A 28 2.940 19.580 12.406 1.00 52.34 N ATOM 268 NH2 ARG A 28 4.635 19.022 13.847 1.00 24.24 N ATOM 0 H ARG A 28 -2.567 19.447 15.219 1.00 12.33 H new ATOM 0 HA ARG A 28 -1.738 18.037 17.511 1.00 3.52 H new ATOM 0 HB2 ARG A 28 0.307 18.029 16.473 1.00 41.41 H new ATOM 0 HB3 ARG A 28 -0.688 18.453 15.094 1.00 41.41 H new ATOM 0 HG2 ARG A 28 -0.197 20.942 15.931 1.00 34.21 H new ATOM 0 HG3 ARG A 28 1.186 20.178 16.687 1.00 34.21 H new ATOM 0 HD2 ARG A 28 0.676 19.424 13.844 1.00 31.22 H new ATOM 0 HD3 ARG A 28 1.169 21.083 14.116 1.00 31.22 H new ATOM 0 HE ARG A 28 2.955 19.509 15.617 1.00 24.53 H new ATOM 0 HH11 ARG A 28 1.979 19.883 12.245 1.00 52.34 H new ATOM 0 HH12 ARG A 28 3.558 19.404 11.614 1.00 52.34 H new ATOM 0 HH21 ARG A 28 4.981 18.894 14.798 1.00 24.24 H new ATOM 0 HH22 ARG A 28 5.250 18.847 13.052 1.00 24.24 H new ATOM 282 N HIS A 29 -1.729 21.270 17.762 1.00 35.22 N ATOM 283 CA HIS A 29 -1.520 22.389 18.674 1.00 42.14 C ATOM 284 C HIS A 29 -2.702 22.543 19.626 1.00 24.23 C ATOM 285 O HIS A 29 -2.887 23.595 20.238 1.00 10.01 O ATOM 286 CB HIS A 29 -1.313 23.683 17.886 1.00 1.42 C ATOM 287 CG HIS A 29 -0.084 24.439 18.289 1.00 53.42 C ATOM 288 ND1 HIS A 29 1.193 24.016 17.987 1.00 73.14 N ATOM 289 CD2 HIS A 29 0.057 25.599 18.972 1.00 4.12 C ATOM 290 CE1 HIS A 29 2.067 24.882 18.468 1.00 32.53 C ATOM 291 NE2 HIS A 29 1.403 25.852 19.071 1.00 65.04 N ATOM 0 H HIS A 29 -2.257 21.504 16.921 1.00 35.22 H new ATOM 0 HA HIS A 29 -0.627 22.184 19.264 1.00 42.14 H new ATOM 0 HB2 HIS A 29 -1.252 23.446 16.824 1.00 1.42 H new ATOM 0 HB3 HIS A 29 -2.184 24.324 18.020 1.00 1.42 H new ATOM 0 HD2 HIS A 29 -0.741 26.212 19.366 1.00 4.12 H new ATOM 0 HE1 HIS A 29 3.141 24.809 18.383 1.00 32.53 H new ATOM 0 HE2 HIS A 29 1.822 26.658 19.535 1.00 65.04 H new ATOM 299 N LYS A 30 -3.499 21.487 19.747 1.00 72.02 N ATOM 300 CA LYS A 30 -4.663 21.503 20.625 1.00 52.11 C ATOM 301 C LYS A 30 -5.608 22.642 20.255 1.00 1.12 C ATOM 302 O LYS A 30 -6.077 23.380 21.122 1.00 2.00 O ATOM 303 CB LYS A 30 -4.225 21.643 22.084 1.00 2.34 C ATOM 304 CG LYS A 30 -3.195 20.612 22.512 1.00 44.32 C ATOM 305 CD LYS A 30 -1.994 21.266 23.175 1.00 23.41 C ATOM 306 CE LYS A 30 -0.964 21.712 22.148 1.00 31.14 C ATOM 307 NZ LYS A 30 0.407 21.766 22.726 1.00 44.52 N ATOM 0 H LYS A 30 -3.360 20.609 19.248 1.00 72.02 H new ATOM 0 HA LYS A 30 -5.194 20.559 20.501 1.00 52.11 H new ATOM 0 HB2 LYS A 30 -3.813 22.641 22.237 1.00 2.34 H new ATOM 0 HB3 LYS A 30 -5.101 21.558 22.727 1.00 2.34 H new ATOM 0 HG2 LYS A 30 -3.653 19.904 23.203 1.00 44.32 H new ATOM 0 HG3 LYS A 30 -2.866 20.042 21.643 1.00 44.32 H new ATOM 0 HD2 LYS A 30 -2.323 22.126 23.759 1.00 23.41 H new ATOM 0 HD3 LYS A 30 -1.535 20.564 23.871 1.00 23.41 H new ATOM 0 HE2 LYS A 30 -0.974 21.026 21.301 1.00 31.14 H new ATOM 0 HE3 LYS A 30 -1.236 22.696 21.765 1.00 31.14 H new ATOM 0 HZ1 LYS A 30 0.823 22.702 22.547 1.00 44.52 H new ATOM 0 HZ2 LYS A 30 0.358 21.599 23.751 1.00 44.52 H new ATOM 0 HZ3 LYS A 30 0.999 21.034 22.284 1.00 44.52 H new ATOM 321 N LYS A 31 -5.885 22.779 18.963 1.00 41.11 N ATOM 322 CA LYS A 31 -6.776 23.826 18.478 1.00 50.23 C ATOM 323 C LYS A 31 -8.236 23.450 18.712 1.00 44.21 C ATOM 324 O LYS A 31 -9.111 24.315 18.748 1.00 31.31 O ATOM 325 CB LYS A 31 -6.536 24.079 16.987 1.00 32.45 C ATOM 326 CG LYS A 31 -7.181 23.042 16.084 1.00 53.45 C ATOM 327 CD LYS A 31 -8.443 23.581 15.430 1.00 32.42 C ATOM 328 CE LYS A 31 -8.120 24.612 14.359 1.00 33.55 C ATOM 329 NZ LYS A 31 -9.147 25.689 14.299 1.00 25.14 N ATOM 0 H LYS A 31 -5.505 22.177 18.232 1.00 41.11 H new ATOM 0 HA LYS A 31 -6.560 24.738 19.034 1.00 50.23 H new ATOM 0 HB2 LYS A 31 -6.921 25.065 16.727 1.00 32.45 H new ATOM 0 HB3 LYS A 31 -5.463 24.096 16.798 1.00 32.45 H new ATOM 0 HG2 LYS A 31 -6.472 22.737 15.314 1.00 53.45 H new ATOM 0 HG3 LYS A 31 -7.423 22.152 16.665 1.00 53.45 H new ATOM 0 HD2 LYS A 31 -9.004 22.758 14.987 1.00 32.42 H new ATOM 0 HD3 LYS A 31 -9.083 24.031 16.189 1.00 32.42 H new ATOM 0 HE2 LYS A 31 -7.143 25.052 14.561 1.00 33.55 H new ATOM 0 HE3 LYS A 31 -8.053 24.119 13.389 1.00 33.55 H new ATOM 0 HZ1 LYS A 31 -8.891 26.372 13.557 1.00 25.14 H new ATOM 0 HZ2 LYS A 31 -10.075 25.272 14.081 1.00 25.14 H new ATOM 0 HZ3 LYS A 31 -9.193 26.176 15.217 1.00 25.14 H new ATOM 343 N SER A 32 -8.490 22.155 18.872 1.00 51.42 N ATOM 344 CA SER A 32 -9.844 21.665 19.100 1.00 13.14 C ATOM 345 C SER A 32 -9.834 20.452 20.026 1.00 42.04 C ATOM 346 O SER A 32 -10.127 20.563 21.216 1.00 12.11 O ATOM 347 CB SER A 32 -10.509 21.301 17.771 1.00 2.23 C ATOM 348 OG SER A 32 -9.557 21.246 16.723 1.00 4.32 O ATOM 0 H SER A 32 -7.776 21.427 18.848 1.00 51.42 H new ATOM 0 HA SER A 32 -10.416 22.461 19.578 1.00 13.14 H new ATOM 0 HB2 SER A 32 -11.009 20.337 17.863 1.00 2.23 H new ATOM 0 HB3 SER A 32 -11.277 22.037 17.531 1.00 2.23 H new ATOM 0 HG SER A 32 -10.007 21.010 15.885 1.00 4.32 H new ATOM 354 N ARG A 33 -9.494 19.294 19.469 1.00 43.10 N ATOM 355 CA ARG A 33 -9.446 18.059 20.243 1.00 42.34 C ATOM 356 C ARG A 33 -9.098 16.872 19.350 1.00 75.41 C ATOM 357 O ARG A 33 -8.045 16.253 19.504 1.00 11.13 O ATOM 358 CB ARG A 33 -10.787 17.815 20.936 1.00 33.31 C ATOM 359 CG ARG A 33 -10.665 17.576 22.432 1.00 22.02 C ATOM 360 CD ARG A 33 -11.729 16.611 22.931 1.00 21.03 C ATOM 361 NE ARG A 33 -12.026 16.809 24.347 1.00 32.44 N ATOM 362 CZ ARG A 33 -13.087 16.290 24.955 1.00 74.21 C ATOM 363 NH1 ARG A 33 -13.948 15.546 24.274 1.00 65.54 N ATOM 364 NH2 ARG A 33 -13.290 16.515 26.247 1.00 63.41 N ATOM 0 H ARG A 33 -9.248 19.185 18.485 1.00 43.10 H new ATOM 0 HA ARG A 33 -8.668 18.163 20.999 1.00 42.34 H new ATOM 0 HB2 ARG A 33 -11.436 18.674 20.766 1.00 33.31 H new ATOM 0 HB3 ARG A 33 -11.272 16.953 20.477 1.00 33.31 H new ATOM 0 HG2 ARG A 33 -9.676 17.178 22.658 1.00 22.02 H new ATOM 0 HG3 ARG A 33 -10.755 18.524 22.962 1.00 22.02 H new ATOM 0 HD2 ARG A 33 -12.640 16.743 22.348 1.00 21.03 H new ATOM 0 HD3 ARG A 33 -11.393 15.586 22.771 1.00 21.03 H new ATOM 0 HE ARG A 33 -11.384 17.377 24.899 1.00 32.44 H new ATOM 0 HH11 ARG A 33 -13.796 15.371 23.281 1.00 65.54 H new ATOM 0 HH12 ARG A 33 -14.762 15.149 24.744 1.00 65.54 H new ATOM 0 HH21 ARG A 33 -12.631 17.087 26.775 1.00 63.41 H new ATOM 0 HH22 ARG A 33 -14.105 16.116 26.712 1.00 63.41 H new ATOM 378 N TYR A 34 -9.991 16.558 18.417 1.00 1.42 N ATOM 379 CA TYR A 34 -9.780 15.443 17.502 1.00 55.22 C ATOM 380 C TYR A 34 -10.358 15.753 16.124 1.00 34.32 C ATOM 381 O TYR A 34 -11.272 16.567 15.990 1.00 71.22 O ATOM 382 CB TYR A 34 -10.418 14.170 18.061 1.00 53.15 C ATOM 383 CG TYR A 34 -11.912 14.094 17.839 1.00 70.30 C ATOM 384 CD1 TYR A 34 -12.434 13.528 16.682 1.00 13.31 C ATOM 385 CD2 TYR A 34 -12.801 14.588 18.786 1.00 60.44 C ATOM 386 CE1 TYR A 34 -13.798 13.457 16.475 1.00 73.11 C ATOM 387 CE2 TYR A 34 -14.166 14.519 18.588 1.00 53.15 C ATOM 388 CZ TYR A 34 -14.660 13.953 17.431 1.00 51.14 C ATOM 389 OH TYR A 34 -16.020 13.884 17.229 1.00 44.31 O ATOM 0 H TYR A 34 -10.867 17.060 18.275 1.00 1.42 H new ATOM 0 HA TYR A 34 -8.706 15.288 17.399 1.00 55.22 H new ATOM 0 HB2 TYR A 34 -9.946 13.303 17.598 1.00 53.15 H new ATOM 0 HB3 TYR A 34 -10.214 14.111 19.130 1.00 53.15 H new ATOM 0 HD1 TYR A 34 -11.762 13.137 15.932 1.00 13.31 H new ATOM 0 HD2 TYR A 34 -12.418 15.033 19.692 1.00 60.44 H new ATOM 0 HE1 TYR A 34 -14.187 13.016 15.570 1.00 73.11 H new ATOM 0 HE2 TYR A 34 -14.843 14.906 19.335 1.00 53.15 H new ATOM 0 HH TYR A 34 -16.410 13.230 17.846 1.00 44.31 H new ATOM 399 N VAL A 35 -9.819 15.096 15.102 1.00 21.12 N ATOM 400 CA VAL A 35 -10.281 15.298 13.734 1.00 3.11 C ATOM 401 C VAL A 35 -10.399 13.971 12.992 1.00 10.43 C ATOM 402 O VAL A 35 -9.426 13.227 12.873 1.00 64.14 O ATOM 403 CB VAL A 35 -9.333 16.228 12.953 1.00 23.53 C ATOM 404 CG1 VAL A 35 -9.852 16.457 11.542 1.00 21.40 C ATOM 405 CG2 VAL A 35 -9.159 17.549 13.687 1.00 25.42 C ATOM 0 H VAL A 35 -9.062 14.419 15.196 1.00 21.12 H new ATOM 0 HA VAL A 35 -11.264 15.764 13.798 1.00 3.11 H new ATOM 0 HB VAL A 35 -8.358 15.747 12.882 1.00 23.53 H new ATOM 0 HG11 VAL A 35 -9.169 17.116 11.006 1.00 21.40 H new ATOM 0 HG12 VAL A 35 -9.920 15.503 11.020 1.00 21.40 H new ATOM 0 HG13 VAL A 35 -10.839 16.917 11.588 1.00 21.40 H new ATOM 0 HG21 VAL A 35 -8.486 18.194 13.121 1.00 25.42 H new ATOM 0 HG22 VAL A 35 -10.128 18.038 13.791 1.00 25.42 H new ATOM 0 HG23 VAL A 35 -8.738 17.363 14.675 1.00 25.42 H new ATOM 415 N ILE A 36 -11.597 13.682 12.496 1.00 51.42 N ATOM 416 CA ILE A 36 -11.842 12.446 11.764 1.00 71.11 C ATOM 417 C ILE A 36 -12.017 12.715 10.273 1.00 21.11 C ATOM 418 O ILE A 36 -12.693 13.664 9.879 1.00 50.53 O ATOM 419 CB ILE A 36 -13.091 11.717 12.293 1.00 75.14 C ATOM 420 CG1 ILE A 36 -12.934 11.404 13.782 1.00 71.21 C ATOM 421 CG2 ILE A 36 -13.335 10.441 11.500 1.00 12.14 C ATOM 422 CD1 ILE A 36 -14.134 10.706 14.383 1.00 51.01 C ATOM 0 H ILE A 36 -12.413 14.287 12.588 1.00 51.42 H new ATOM 0 HA ILE A 36 -10.969 11.811 11.916 1.00 71.11 H new ATOM 0 HB ILE A 36 -13.955 12.370 12.168 1.00 75.14 H new ATOM 0 HG12 ILE A 36 -12.052 10.779 13.922 1.00 71.21 H new ATOM 0 HG13 ILE A 36 -12.756 12.333 14.323 1.00 71.21 H new ATOM 0 HG21 ILE A 36 -14.221 9.937 11.886 1.00 12.14 H new ATOM 0 HG22 ILE A 36 -13.487 10.689 10.449 1.00 12.14 H new ATOM 0 HG23 ILE A 36 -12.472 9.782 11.596 1.00 12.14 H new ATOM 0 HD11 ILE A 36 -13.952 10.515 15.441 1.00 51.01 H new ATOM 0 HD12 ILE A 36 -15.015 11.339 14.274 1.00 51.01 H new ATOM 0 HD13 ILE A 36 -14.301 9.760 13.867 1.00 51.01 H new ATOM 434 N MET A 37 -11.404 11.871 9.449 1.00 11.03 N ATOM 435 CA MET A 37 -11.495 12.016 8.001 1.00 3.11 C ATOM 436 C MET A 37 -11.883 10.695 7.346 1.00 63.54 C ATOM 437 O MET A 37 -11.619 9.620 7.887 1.00 4.50 O ATOM 438 CB MET A 37 -10.163 12.509 7.432 1.00 10.52 C ATOM 439 CG MET A 37 -9.044 11.486 7.530 1.00 24.25 C ATOM 440 SD MET A 37 -7.723 12.006 8.642 1.00 22.43 S ATOM 441 CE MET A 37 -6.288 11.355 7.790 1.00 4.44 C ATOM 0 H MET A 37 -10.839 11.080 9.759 1.00 11.03 H new ATOM 0 HA MET A 37 -12.270 12.751 7.782 1.00 3.11 H new ATOM 0 HB2 MET A 37 -10.303 12.783 6.386 1.00 10.52 H new ATOM 0 HB3 MET A 37 -9.864 13.414 7.961 1.00 10.52 H new ATOM 0 HG2 MET A 37 -9.454 10.537 7.877 1.00 24.25 H new ATOM 0 HG3 MET A 37 -8.630 11.310 6.537 1.00 24.25 H new ATOM 0 HE1 MET A 37 -5.413 11.956 8.039 1.00 4.44 H new ATOM 0 HE2 MET A 37 -6.119 10.323 8.098 1.00 4.44 H new ATOM 0 HE3 MET A 37 -6.457 11.390 6.714 1.00 4.44 H new ATOM 451 N HIS A 38 -12.511 10.780 6.177 1.00 0.42 N ATOM 452 CA HIS A 38 -12.935 9.591 5.448 1.00 60.51 C ATOM 453 C HIS A 38 -12.437 9.631 4.006 1.00 32.23 C ATOM 454 O HIS A 38 -12.261 10.705 3.430 1.00 22.14 O ATOM 455 CB HIS A 38 -14.459 9.469 5.470 1.00 21.24 C ATOM 456 CG HIS A 38 -14.991 8.437 4.524 1.00 14.32 C ATOM 457 ND1 HIS A 38 -15.824 8.743 3.469 1.00 73.25 N ATOM 458 CD2 HIS A 38 -14.804 7.098 4.478 1.00 61.51 C ATOM 459 CE1 HIS A 38 -16.127 7.636 2.815 1.00 74.51 C ATOM 460 NE2 HIS A 38 -15.520 6.623 3.407 1.00 74.20 N ATOM 0 H HIS A 38 -12.737 11.661 5.715 1.00 0.42 H new ATOM 0 HA HIS A 38 -12.501 8.720 5.940 1.00 60.51 H new ATOM 0 HB2 HIS A 38 -14.781 9.223 6.482 1.00 21.24 H new ATOM 0 HB3 HIS A 38 -14.896 10.436 5.223 1.00 21.24 H new ATOM 0 HD1 HIS A 38 -16.155 9.678 3.231 1.00 73.25 H new ATOM 0 HD2 HIS A 38 -14.203 6.512 5.157 1.00 61.51 H new ATOM 0 HE1 HIS A 38 -16.763 7.570 1.944 1.00 74.51 H new ATOM 468 N ILE A 39 -12.212 8.455 3.430 1.00 33.11 N ATOM 469 CA ILE A 39 -11.735 8.357 2.056 1.00 34.32 C ATOM 470 C ILE A 39 -12.894 8.415 1.067 1.00 50.15 C ATOM 471 O ILE A 39 -13.770 7.550 1.067 1.00 25.42 O ATOM 472 CB ILE A 39 -10.944 7.056 1.827 1.00 61.44 C ATOM 473 CG1 ILE A 39 -9.903 6.864 2.932 1.00 52.33 C ATOM 474 CG2 ILE A 39 -10.276 7.076 0.460 1.00 3.30 C ATOM 475 CD1 ILE A 39 -9.134 5.566 2.820 1.00 53.44 C ATOM 0 H ILE A 39 -12.352 7.557 3.893 1.00 33.11 H new ATOM 0 HA ILE A 39 -11.075 9.208 1.889 1.00 34.32 H new ATOM 0 HB ILE A 39 -11.638 6.216 1.859 1.00 61.44 H new ATOM 0 HG12 ILE A 39 -9.200 7.697 2.906 1.00 52.33 H new ATOM 0 HG13 ILE A 39 -10.402 6.898 3.900 1.00 52.33 H new ATOM 0 HG21 ILE A 39 -9.721 6.150 0.313 1.00 3.30 H new ATOM 0 HG22 ILE A 39 -11.036 7.170 -0.315 1.00 3.30 H new ATOM 0 HG23 ILE A 39 -9.592 7.922 0.402 1.00 3.30 H new ATOM 0 HD11 ILE A 39 -8.414 5.498 3.636 1.00 53.44 H new ATOM 0 HD12 ILE A 39 -9.827 4.727 2.876 1.00 53.44 H new ATOM 0 HD13 ILE A 39 -8.606 5.537 1.867 1.00 53.44 H new ATOM 487 N VAL A 40 -12.892 9.441 0.221 1.00 11.02 N ATOM 488 CA VAL A 40 -13.941 9.611 -0.777 1.00 14.44 C ATOM 489 C VAL A 40 -13.485 9.115 -2.144 1.00 52.00 C ATOM 490 O VAL A 40 -12.378 9.418 -2.588 1.00 44.11 O ATOM 491 CB VAL A 40 -14.370 11.086 -0.895 1.00 5.23 C ATOM 492 CG1 VAL A 40 -15.478 11.240 -1.925 1.00 33.34 C ATOM 493 CG2 VAL A 40 -14.810 11.623 0.459 1.00 60.40 C ATOM 0 H VAL A 40 -12.175 10.167 0.207 1.00 11.02 H new ATOM 0 HA VAL A 40 -14.793 9.018 -0.444 1.00 14.44 H new ATOM 0 HB VAL A 40 -13.513 11.670 -1.230 1.00 5.23 H new ATOM 0 HG11 VAL A 40 -15.767 12.289 -1.994 1.00 33.34 H new ATOM 0 HG12 VAL A 40 -15.122 10.897 -2.896 1.00 33.34 H new ATOM 0 HG13 VAL A 40 -16.340 10.645 -1.624 1.00 33.34 H new ATOM 0 HG21 VAL A 40 -15.110 12.666 0.357 1.00 60.40 H new ATOM 0 HG22 VAL A 40 -15.653 11.038 0.826 1.00 60.40 H new ATOM 0 HG23 VAL A 40 -13.983 11.551 1.165 1.00 60.40 H new ATOM 503 N ASP A 41 -14.346 8.351 -2.807 1.00 51.12 N ATOM 504 CA ASP A 41 -14.033 7.813 -4.126 1.00 3.20 C ATOM 505 C ASP A 41 -12.734 7.014 -4.092 1.00 43.13 C ATOM 506 O ASP A 41 -12.067 6.854 -5.114 1.00 23.51 O ATOM 507 CB ASP A 41 -13.923 8.945 -5.149 1.00 74.11 C ATOM 508 CG ASP A 41 -14.859 8.753 -6.326 1.00 53.53 C ATOM 509 OD1 ASP A 41 -14.808 7.676 -6.956 1.00 3.34 O ATOM 510 OD2 ASP A 41 -15.643 9.681 -6.619 1.00 2.21 O ATOM 0 H ASP A 41 -15.266 8.090 -2.453 1.00 51.12 H new ATOM 0 HA ASP A 41 -14.842 7.145 -4.420 1.00 3.20 H new ATOM 0 HB2 ASP A 41 -14.146 9.894 -4.662 1.00 74.11 H new ATOM 0 HB3 ASP A 41 -12.897 9.006 -5.511 1.00 74.11 H new ATOM 515 N GLN A 42 -12.381 6.517 -2.911 1.00 72.01 N ATOM 516 CA GLN A 42 -11.161 5.736 -2.745 1.00 1.32 C ATOM 517 C GLN A 42 -10.022 6.323 -3.572 1.00 52.42 C ATOM 518 O GLN A 42 -9.243 5.592 -4.183 1.00 25.33 O ATOM 519 CB GLN A 42 -11.403 4.281 -3.148 1.00 64.23 C ATOM 520 CG GLN A 42 -11.739 4.105 -4.620 1.00 44.24 C ATOM 521 CD GLN A 42 -11.522 2.685 -5.103 1.00 64.32 C ATOM 522 OE1 GLN A 42 -10.619 1.989 -4.636 1.00 74.10 O ATOM 523 NE2 GLN A 42 -12.350 2.246 -6.044 1.00 20.34 N ATOM 0 H GLN A 42 -12.922 6.641 -2.055 1.00 72.01 H new ATOM 0 HA GLN A 42 -10.877 5.771 -1.693 1.00 1.32 H new ATOM 0 HB2 GLN A 42 -10.514 3.695 -2.914 1.00 64.23 H new ATOM 0 HB3 GLN A 42 -12.218 3.877 -2.547 1.00 64.23 H new ATOM 0 HG2 GLN A 42 -12.779 4.387 -4.787 1.00 44.24 H new ATOM 0 HG3 GLN A 42 -11.125 4.784 -5.212 1.00 44.24 H new ATOM 0 HE21 GLN A 42 -13.084 2.857 -6.402 1.00 20.34 H new ATOM 0 HE22 GLN A 42 -12.252 1.298 -6.408 1.00 20.34 H new ATOM 532 N LYS A 43 -9.932 7.649 -3.589 1.00 22.12 N ATOM 533 CA LYS A 43 -8.888 8.336 -4.340 1.00 71.23 C ATOM 534 C LYS A 43 -8.539 9.671 -3.691 1.00 10.03 C ATOM 535 O LYS A 43 -7.370 10.047 -3.612 1.00 65.13 O ATOM 536 CB LYS A 43 -9.336 8.562 -5.786 1.00 35.40 C ATOM 537 CG LYS A 43 -8.264 8.240 -6.813 1.00 13.24 C ATOM 538 CD LYS A 43 -8.638 8.761 -8.190 1.00 63.35 C ATOM 539 CE LYS A 43 -9.396 7.716 -8.994 1.00 74.22 C ATOM 540 NZ LYS A 43 -9.874 8.257 -10.297 1.00 1.12 N ATOM 0 H LYS A 43 -10.570 8.269 -3.091 1.00 22.12 H new ATOM 0 HA LYS A 43 -7.998 7.706 -4.335 1.00 71.23 H new ATOM 0 HB2 LYS A 43 -10.214 7.948 -5.985 1.00 35.40 H new ATOM 0 HB3 LYS A 43 -9.640 9.602 -5.905 1.00 35.40 H new ATOM 0 HG2 LYS A 43 -7.316 8.680 -6.502 1.00 13.24 H new ATOM 0 HG3 LYS A 43 -8.115 7.161 -6.859 1.00 13.24 H new ATOM 0 HD2 LYS A 43 -9.250 9.657 -8.087 1.00 63.35 H new ATOM 0 HD3 LYS A 43 -7.736 9.051 -8.728 1.00 63.35 H new ATOM 0 HE2 LYS A 43 -8.750 6.857 -9.173 1.00 74.22 H new ATOM 0 HE3 LYS A 43 -10.248 7.359 -8.415 1.00 74.22 H new ATOM 0 HZ1 LYS A 43 -10.386 7.514 -10.815 1.00 1.12 H new ATOM 0 HZ2 LYS A 43 -10.511 9.061 -10.126 1.00 1.12 H new ATOM 0 HZ3 LYS A 43 -9.060 8.574 -10.861 1.00 1.12 H new ATOM 554 N SER A 44 -9.561 10.383 -3.225 1.00 63.42 N ATOM 555 CA SER A 44 -9.362 11.677 -2.584 1.00 45.13 C ATOM 556 C SER A 44 -9.917 11.671 -1.163 1.00 64.22 C ATOM 557 O SER A 44 -11.076 11.321 -0.940 1.00 22.34 O ATOM 558 CB SER A 44 -10.033 12.783 -3.401 1.00 63.02 C ATOM 559 OG SER A 44 -9.104 13.794 -3.751 1.00 5.34 O ATOM 0 H SER A 44 -10.535 10.085 -3.280 1.00 63.42 H new ATOM 0 HA SER A 44 -8.290 11.870 -2.536 1.00 45.13 H new ATOM 0 HB2 SER A 44 -10.470 12.358 -4.305 1.00 63.02 H new ATOM 0 HB3 SER A 44 -10.850 13.219 -2.826 1.00 63.02 H new ATOM 0 HG SER A 44 -9.557 14.488 -4.274 1.00 5.34 H new ATOM 565 N ILE A 45 -9.081 12.060 -0.207 1.00 3.43 N ATOM 566 CA ILE A 45 -9.487 12.101 1.193 1.00 71.05 C ATOM 567 C ILE A 45 -10.228 13.395 1.513 1.00 60.25 C ATOM 568 O ILE A 45 -9.766 14.485 1.178 1.00 53.41 O ATOM 569 CB ILE A 45 -8.276 11.970 2.135 1.00 61.43 C ATOM 570 CG1 ILE A 45 -7.510 10.678 1.840 1.00 55.03 C ATOM 571 CG2 ILE A 45 -8.728 12.004 3.587 1.00 73.22 C ATOM 572 CD1 ILE A 45 -6.261 10.511 2.676 1.00 13.54 C ATOM 0 H ILE A 45 -8.118 12.351 -0.376 1.00 3.43 H new ATOM 0 HA ILE A 45 -10.154 11.254 1.353 1.00 71.05 H new ATOM 0 HB ILE A 45 -7.608 12.814 1.963 1.00 61.43 H new ATOM 0 HG12 ILE A 45 -8.169 9.827 2.012 1.00 55.03 H new ATOM 0 HG13 ILE A 45 -7.236 10.660 0.785 1.00 55.03 H new ATOM 0 HG21 ILE A 45 -7.861 11.910 4.240 1.00 73.22 H new ATOM 0 HG22 ILE A 45 -9.234 12.948 3.789 1.00 73.22 H new ATOM 0 HG23 ILE A 45 -9.414 11.178 3.774 1.00 73.22 H new ATOM 0 HD11 ILE A 45 -5.770 9.574 2.413 1.00 13.54 H new ATOM 0 HD12 ILE A 45 -5.582 11.342 2.486 1.00 13.54 H new ATOM 0 HD13 ILE A 45 -6.530 10.496 3.732 1.00 13.54 H new ATOM 584 N ALA A 46 -11.379 13.266 2.164 1.00 21.42 N ATOM 585 CA ALA A 46 -12.182 14.425 2.533 1.00 31.44 C ATOM 586 C ALA A 46 -12.609 14.353 3.996 1.00 52.35 C ATOM 587 O ALA A 46 -12.656 13.275 4.587 1.00 32.32 O ATOM 588 CB ALA A 46 -13.402 14.531 1.630 1.00 63.12 C ATOM 0 H ALA A 46 -11.776 12.370 2.447 1.00 21.42 H new ATOM 0 HA ALA A 46 -11.569 15.317 2.403 1.00 31.44 H new ATOM 0 HB1 ALA A 46 -13.993 15.401 1.917 1.00 63.12 H new ATOM 0 HB2 ALA A 46 -13.080 14.637 0.594 1.00 63.12 H new ATOM 0 HB3 ALA A 46 -14.009 13.631 1.731 1.00 63.12 H new ATOM 594 N VAL A 47 -12.919 15.509 4.574 1.00 54.43 N ATOM 595 CA VAL A 47 -13.343 15.578 5.967 1.00 31.11 C ATOM 596 C VAL A 47 -14.720 14.950 6.154 1.00 2.43 C ATOM 597 O VAL A 47 -15.621 15.147 5.338 1.00 25.02 O ATOM 598 CB VAL A 47 -13.381 17.033 6.471 1.00 33.22 C ATOM 599 CG1 VAL A 47 -14.393 17.846 5.679 1.00 54.20 C ATOM 600 CG2 VAL A 47 -13.700 17.073 7.958 1.00 24.32 C ATOM 0 H VAL A 47 -12.884 16.411 4.099 1.00 54.43 H new ATOM 0 HA VAL A 47 -12.610 15.019 6.549 1.00 31.11 H new ATOM 0 HB VAL A 47 -12.397 17.477 6.321 1.00 33.22 H new ATOM 0 HG11 VAL A 47 -14.406 18.871 6.049 1.00 54.20 H new ATOM 0 HG12 VAL A 47 -14.116 17.844 4.625 1.00 54.20 H new ATOM 0 HG13 VAL A 47 -15.384 17.406 5.795 1.00 54.20 H new ATOM 0 HG21 VAL A 47 -13.723 18.109 8.297 1.00 24.32 H new ATOM 0 HG22 VAL A 47 -14.672 16.612 8.134 1.00 24.32 H new ATOM 0 HG23 VAL A 47 -12.934 16.527 8.509 1.00 24.32 H new ATOM 610 N LYS A 48 -14.877 14.194 7.235 1.00 30.13 N ATOM 611 CA LYS A 48 -16.145 13.538 7.533 1.00 64.42 C ATOM 612 C LYS A 48 -16.828 14.191 8.730 1.00 24.42 C ATOM 613 O LYS A 48 -17.969 14.642 8.637 1.00 15.43 O ATOM 614 CB LYS A 48 -15.919 12.049 7.810 1.00 54.54 C ATOM 615 CG LYS A 48 -16.875 11.139 7.058 1.00 52.53 C ATOM 616 CD LYS A 48 -18.276 11.197 7.643 1.00 54.13 C ATOM 617 CE LYS A 48 -19.329 11.346 6.555 1.00 61.22 C ATOM 618 NZ LYS A 48 -19.666 10.038 5.927 1.00 15.22 N ATOM 0 H LYS A 48 -14.141 14.020 7.920 1.00 30.13 H new ATOM 0 HA LYS A 48 -16.794 13.646 6.664 1.00 64.42 H new ATOM 0 HB2 LYS A 48 -14.895 11.789 7.540 1.00 54.54 H new ATOM 0 HB3 LYS A 48 -16.023 11.867 8.880 1.00 54.54 H new ATOM 0 HG2 LYS A 48 -16.906 11.430 6.008 1.00 52.53 H new ATOM 0 HG3 LYS A 48 -16.507 10.114 7.094 1.00 52.53 H new ATOM 0 HD2 LYS A 48 -18.470 10.291 8.217 1.00 54.13 H new ATOM 0 HD3 LYS A 48 -18.347 12.035 8.337 1.00 54.13 H new ATOM 0 HE2 LYS A 48 -20.230 11.788 6.980 1.00 61.22 H new ATOM 0 HE3 LYS A 48 -18.967 12.033 5.791 1.00 61.22 H new ATOM 0 HZ1 LYS A 48 -20.387 10.182 5.191 1.00 15.22 H new ATOM 0 HZ2 LYS A 48 -18.811 9.628 5.499 1.00 15.22 H new ATOM 0 HZ3 LYS A 48 -20.036 9.390 6.652 1.00 15.22 H new ATOM 632 N THR A 49 -16.121 14.239 9.855 1.00 22.23 N ATOM 633 CA THR A 49 -16.659 14.837 11.071 1.00 64.23 C ATOM 634 C THR A 49 -15.541 15.238 12.027 1.00 73.00 C ATOM 635 O THR A 49 -14.915 14.385 12.656 1.00 4.25 O ATOM 636 CB THR A 49 -17.617 13.873 11.795 1.00 71.43 C ATOM 637 OG1 THR A 49 -18.737 13.573 10.955 1.00 74.13 O ATOM 638 CG2 THR A 49 -18.105 14.476 13.103 1.00 20.43 C ATOM 0 H THR A 49 -15.174 13.871 9.949 1.00 22.23 H new ATOM 0 HA THR A 49 -17.211 15.727 10.768 1.00 64.23 H new ATOM 0 HB THR A 49 -17.074 12.955 12.017 1.00 71.43 H new ATOM 0 HG1 THR A 49 -18.761 14.203 10.205 1.00 74.13 H new ATOM 0 HG21 THR A 49 -18.780 13.777 13.596 1.00 20.43 H new ATOM 0 HG22 THR A 49 -17.252 14.676 13.752 1.00 20.43 H new ATOM 0 HG23 THR A 49 -18.633 15.408 12.900 1.00 20.43 H new ATOM 646 N ILE A 50 -15.298 16.540 12.132 1.00 65.13 N ATOM 647 CA ILE A 50 -14.256 17.053 13.013 1.00 15.14 C ATOM 648 C ILE A 50 -14.838 17.496 14.351 1.00 14.24 C ATOM 649 O ILE A 50 -15.961 17.994 14.418 1.00 75.14 O ATOM 650 CB ILE A 50 -13.510 18.239 12.373 1.00 34.41 C ATOM 651 CG1 ILE A 50 -12.379 18.711 13.288 1.00 1.50 C ATOM 652 CG2 ILE A 50 -14.476 19.378 12.084 1.00 51.05 C ATOM 653 CD1 ILE A 50 -11.499 19.772 12.663 1.00 73.51 C ATOM 0 H ILE A 50 -15.808 17.259 11.618 1.00 65.13 H new ATOM 0 HA ILE A 50 -13.552 16.238 13.177 1.00 15.14 H new ATOM 0 HB ILE A 50 -13.075 17.910 11.429 1.00 34.41 H new ATOM 0 HG12 ILE A 50 -12.808 19.103 14.210 1.00 1.50 H new ATOM 0 HG13 ILE A 50 -11.763 17.855 13.562 1.00 1.50 H new ATOM 0 HG21 ILE A 50 -13.934 20.209 11.632 1.00 51.05 H new ATOM 0 HG22 ILE A 50 -15.250 19.034 11.398 1.00 51.05 H new ATOM 0 HG23 ILE A 50 -14.937 19.709 13.015 1.00 51.05 H new ATOM 0 HD11 ILE A 50 -10.719 20.059 13.368 1.00 73.51 H new ATOM 0 HD12 ILE A 50 -11.041 19.377 11.756 1.00 73.51 H new ATOM 0 HD13 ILE A 50 -12.102 20.645 12.414 1.00 73.51 H new ATOM 665 N GLY A 51 -14.065 17.313 15.417 1.00 25.11 N ATOM 666 CA GLY A 51 -14.519 17.701 16.740 1.00 73.54 C ATOM 667 C GLY A 51 -13.807 18.933 17.259 1.00 0.44 C ATOM 668 O GLY A 51 -12.952 19.497 16.577 1.00 11.33 O ATOM 0 H GLY A 51 -13.132 16.903 15.388 1.00 25.11 H new ATOM 0 HA2 GLY A 51 -15.592 17.890 16.711 1.00 73.54 H new ATOM 0 HA3 GLY A 51 -14.360 16.874 17.432 1.00 73.54 H new ATOM 672 N GLU A 52 -14.161 19.354 18.470 1.00 72.51 N ATOM 673 CA GLU A 52 -13.551 20.530 19.079 1.00 64.44 C ATOM 674 C GLU A 52 -14.113 20.773 20.476 1.00 23.53 C ATOM 675 O GLU A 52 -14.783 21.775 20.721 1.00 15.34 O ATOM 676 CB GLU A 52 -13.782 21.763 18.203 1.00 63.34 C ATOM 677 CG GLU A 52 -15.236 21.968 17.813 1.00 43.45 C ATOM 678 CD GLU A 52 -15.575 23.427 17.575 1.00 13.01 C ATOM 679 OE1 GLU A 52 -15.227 24.265 18.433 1.00 54.01 O ATOM 680 OE2 GLU A 52 -16.189 23.730 16.531 1.00 52.15 O ATOM 0 H GLU A 52 -14.867 18.898 19.048 1.00 72.51 H new ATOM 0 HA GLU A 52 -12.480 20.349 19.164 1.00 64.44 H new ATOM 0 HB2 GLU A 52 -13.429 22.647 18.734 1.00 63.34 H new ATOM 0 HB3 GLU A 52 -13.181 21.673 17.298 1.00 63.34 H new ATOM 0 HG2 GLU A 52 -15.450 21.397 16.910 1.00 43.45 H new ATOM 0 HG3 GLU A 52 -15.879 21.573 18.600 1.00 43.45 H new ATOM 687 N ARG A 53 -13.834 19.847 21.389 1.00 53.13 N ATOM 688 CA ARG A 53 -14.313 19.959 22.761 1.00 0.12 C ATOM 689 C ARG A 53 -15.831 20.105 22.797 1.00 14.31 C ATOM 690 O ARG A 53 -16.391 20.648 23.749 1.00 43.10 O ATOM 691 CB ARG A 53 -13.658 21.154 23.456 1.00 12.24 C ATOM 692 CG ARG A 53 -12.158 21.245 23.227 1.00 14.34 C ATOM 693 CD ARG A 53 -11.504 22.211 24.202 1.00 3.53 C ATOM 694 NE ARG A 53 -10.263 22.768 23.671 1.00 43.43 N ATOM 695 CZ ARG A 53 -9.107 22.114 23.664 1.00 22.13 C ATOM 696 NH1 ARG A 53 -9.034 20.886 24.158 1.00 31.40 N ATOM 697 NH2 ARG A 53 -8.021 22.688 23.163 1.00 63.01 N ATOM 0 H ARG A 53 -13.279 19.012 21.203 1.00 53.13 H new ATOM 0 HA ARG A 53 -14.041 19.046 23.290 1.00 0.12 H new ATOM 0 HB2 ARG A 53 -14.127 22.072 23.102 1.00 12.24 H new ATOM 0 HB3 ARG A 53 -13.850 21.091 24.527 1.00 12.24 H new ATOM 0 HG2 ARG A 53 -11.711 20.257 23.337 1.00 14.34 H new ATOM 0 HG3 ARG A 53 -11.964 21.570 22.205 1.00 14.34 H new ATOM 0 HD2 ARG A 53 -12.197 23.021 24.429 1.00 3.53 H new ATOM 0 HD3 ARG A 53 -11.298 21.695 25.140 1.00 3.53 H new ATOM 0 HE ARG A 53 -10.285 23.711 23.284 1.00 43.43 H new ATOM 0 HH11 ARG A 53 -9.867 20.441 24.545 1.00 31.40 H new ATOM 0 HH12 ARG A 53 -8.145 20.386 24.152 1.00 31.40 H new ATOM 0 HH21 ARG A 53 -8.073 23.633 22.782 1.00 63.01 H new ATOM 0 HH22 ARG A 53 -7.134 22.184 23.158 1.00 63.01 H new ATOM 711 N GLY A 54 -16.493 19.617 21.752 1.00 1.11 N ATOM 712 CA GLY A 54 -17.940 19.704 21.684 1.00 61.23 C ATOM 713 C GLY A 54 -18.579 18.399 21.251 1.00 12.23 C ATOM 714 O GLY A 54 -19.653 18.037 21.731 1.00 11.51 O ATOM 0 H GLY A 54 -16.053 19.163 20.952 1.00 1.11 H new ATOM 0 HA2 GLY A 54 -18.330 19.990 22.661 1.00 61.23 H new ATOM 0 HA3 GLY A 54 -18.221 20.492 20.986 1.00 61.23 H new ATOM 718 N ALA A 55 -17.919 17.692 20.341 1.00 65.52 N ATOM 719 CA ALA A 55 -18.429 16.420 19.844 1.00 63.30 C ATOM 720 C ALA A 55 -18.761 15.475 20.994 1.00 61.33 C ATOM 721 O ALA A 55 -18.043 15.420 21.991 1.00 34.24 O ATOM 722 CB ALA A 55 -17.419 15.777 18.905 1.00 72.24 C ATOM 0 H ALA A 55 -17.029 17.978 19.932 1.00 65.52 H new ATOM 0 HA ALA A 55 -19.348 16.616 19.292 1.00 63.30 H new ATOM 0 HB1 ALA A 55 -17.813 14.828 18.542 1.00 72.24 H new ATOM 0 HB2 ALA A 55 -17.234 16.440 18.060 1.00 72.24 H new ATOM 0 HB3 ALA A 55 -16.486 15.601 19.440 1.00 72.24 H new ATOM 728 N ASN A 56 -19.854 14.733 20.847 1.00 62.32 N ATOM 729 CA ASN A 56 -20.282 13.790 21.874 1.00 3.44 C ATOM 730 C ASN A 56 -20.195 12.355 21.366 1.00 22.40 C ATOM 731 O ASN A 56 -19.845 12.114 20.210 1.00 34.12 O ATOM 732 CB ASN A 56 -21.713 14.101 22.316 1.00 32.04 C ATOM 733 CG ASN A 56 -21.866 14.096 23.825 1.00 14.12 C ATOM 734 OD1 ASN A 56 -21.414 15.014 24.509 1.00 10.32 O ATOM 735 ND2 ASN A 56 -22.507 13.058 24.351 1.00 3.43 N ATOM 0 H ASN A 56 -20.459 14.767 20.027 1.00 62.32 H new ATOM 0 HA ASN A 56 -19.614 13.894 22.729 1.00 3.44 H new ATOM 0 HB2 ASN A 56 -22.007 15.076 21.927 1.00 32.04 H new ATOM 0 HB3 ASN A 56 -22.392 13.367 21.882 1.00 32.04 H new ATOM 0 HD21 ASN A 56 -22.641 13.000 25.360 1.00 3.43 H new ATOM 0 HD22 ASN A 56 -22.865 12.320 23.745 1.00 3.43 H new ATOM 742 N PHE A 57 -20.516 11.404 22.237 1.00 25.23 N ATOM 743 CA PHE A 57 -20.474 9.991 21.877 1.00 4.33 C ATOM 744 C PHE A 57 -21.580 9.650 20.883 1.00 44.31 C ATOM 745 O PHE A 57 -21.360 8.911 19.923 1.00 31.24 O ATOM 746 CB PHE A 57 -20.610 9.120 23.128 1.00 52.22 C ATOM 747 CG PHE A 57 -19.306 8.546 23.604 1.00 14.52 C ATOM 748 CD1 PHE A 57 -18.497 9.259 24.474 1.00 15.24 C ATOM 749 CD2 PHE A 57 -18.890 7.295 23.181 1.00 24.42 C ATOM 750 CE1 PHE A 57 -17.297 8.734 24.915 1.00 12.00 C ATOM 751 CE2 PHE A 57 -17.691 6.764 23.619 1.00 43.23 C ATOM 752 CZ PHE A 57 -16.893 7.485 24.486 1.00 41.24 C ATOM 0 H PHE A 57 -20.808 11.586 23.197 1.00 25.23 H new ATOM 0 HA PHE A 57 -19.512 9.790 21.406 1.00 4.33 H new ATOM 0 HB2 PHE A 57 -21.050 9.715 23.929 1.00 52.22 H new ATOM 0 HB3 PHE A 57 -21.302 8.304 22.919 1.00 52.22 H new ATOM 0 HD1 PHE A 57 -18.808 10.237 24.812 1.00 15.24 H new ATOM 0 HD2 PHE A 57 -19.509 6.728 22.502 1.00 24.42 H new ATOM 0 HE1 PHE A 57 -16.676 9.300 25.594 1.00 12.00 H new ATOM 0 HE2 PHE A 57 -17.378 5.786 23.284 1.00 43.23 H new ATOM 0 HZ PHE A 57 -15.955 7.073 24.828 1.00 41.24 H new ATOM 762 N ASP A 58 -22.768 10.194 21.120 1.00 11.20 N ATOM 763 CA ASP A 58 -23.909 9.949 20.246 1.00 73.11 C ATOM 764 C ASP A 58 -23.643 10.484 18.842 1.00 34.31 C ATOM 765 O ASP A 58 -23.889 9.798 17.850 1.00 22.23 O ATOM 766 CB ASP A 58 -25.169 10.597 20.822 1.00 1.50 C ATOM 767 CG ASP A 58 -25.903 9.683 21.783 1.00 2.45 C ATOM 768 OD1 ASP A 58 -25.253 9.147 22.706 1.00 51.23 O ATOM 769 OD2 ASP A 58 -27.127 9.505 21.614 1.00 21.12 O ATOM 0 H ASP A 58 -22.966 10.808 21.910 1.00 11.20 H new ATOM 0 HA ASP A 58 -24.061 8.872 20.182 1.00 73.11 H new ATOM 0 HB2 ASP A 58 -24.897 11.518 21.337 1.00 1.50 H new ATOM 0 HB3 ASP A 58 -25.837 10.874 20.006 1.00 1.50 H new ATOM 774 N GLN A 59 -23.142 11.712 18.768 1.00 44.24 N ATOM 775 CA GLN A 59 -22.845 12.339 17.485 1.00 25.10 C ATOM 776 C GLN A 59 -21.632 11.687 16.828 1.00 11.15 C ATOM 777 O GLN A 59 -21.537 11.622 15.603 1.00 73.43 O ATOM 778 CB GLN A 59 -22.595 13.837 17.671 1.00 31.40 C ATOM 779 CG GLN A 59 -23.796 14.590 18.219 1.00 54.01 C ATOM 780 CD GLN A 59 -24.101 15.851 17.435 1.00 12.43 C ATOM 781 OE1 GLN A 59 -24.685 15.798 16.353 1.00 74.43 O ATOM 782 NE2 GLN A 59 -23.706 16.997 17.979 1.00 33.43 N ATOM 0 H GLN A 59 -22.933 12.293 19.580 1.00 44.24 H new ATOM 0 HA GLN A 59 -23.707 12.200 16.833 1.00 25.10 H new ATOM 0 HB2 GLN A 59 -21.751 13.975 18.347 1.00 31.40 H new ATOM 0 HB3 GLN A 59 -22.311 14.271 16.713 1.00 31.40 H new ATOM 0 HG2 GLN A 59 -24.668 13.937 18.203 1.00 54.01 H new ATOM 0 HG3 GLN A 59 -23.612 14.850 19.261 1.00 54.01 H new ATOM 0 HE21 GLN A 59 -23.225 16.995 18.878 1.00 33.43 H new ATOM 0 HE22 GLN A 59 -23.884 17.878 17.497 1.00 33.43 H new ATOM 791 N PHE A 60 -20.706 11.206 17.652 1.00 15.40 N ATOM 792 CA PHE A 60 -19.499 10.561 17.151 1.00 23.33 C ATOM 793 C PHE A 60 -19.837 9.259 16.430 1.00 1.21 C ATOM 794 O PHE A 60 -19.360 9.009 15.323 1.00 64.21 O ATOM 795 CB PHE A 60 -18.529 10.282 18.302 1.00 52.31 C ATOM 796 CG PHE A 60 -17.438 9.314 17.945 1.00 32.54 C ATOM 797 CD1 PHE A 60 -16.763 9.423 16.740 1.00 33.32 C ATOM 798 CD2 PHE A 60 -17.087 8.294 18.816 1.00 52.14 C ATOM 799 CE1 PHE A 60 -15.760 8.532 16.409 1.00 24.05 C ATOM 800 CE2 PHE A 60 -16.084 7.401 18.490 1.00 21.44 C ATOM 801 CZ PHE A 60 -15.419 7.520 17.286 1.00 4.51 C ATOM 0 H PHE A 60 -20.769 11.251 18.669 1.00 15.40 H new ATOM 0 HA PHE A 60 -19.024 11.237 16.440 1.00 23.33 H new ATOM 0 HB2 PHE A 60 -18.079 11.221 18.623 1.00 52.31 H new ATOM 0 HB3 PHE A 60 -19.089 9.889 19.151 1.00 52.31 H new ATOM 0 HD1 PHE A 60 -17.024 10.213 16.052 1.00 33.32 H new ATOM 0 HD2 PHE A 60 -17.603 8.196 19.760 1.00 52.14 H new ATOM 0 HE1 PHE A 60 -15.243 8.626 15.466 1.00 24.05 H new ATOM 0 HE2 PHE A 60 -15.820 6.610 19.177 1.00 21.44 H new ATOM 0 HZ PHE A 60 -14.634 6.824 17.030 1.00 4.51 H new ATOM 811 N ILE A 61 -20.662 8.435 17.066 1.00 33.30 N ATOM 812 CA ILE A 61 -21.065 7.160 16.486 1.00 63.34 C ATOM 813 C ILE A 61 -22.015 7.366 15.311 1.00 61.02 C ATOM 814 O ILE A 61 -21.884 6.717 14.274 1.00 75.04 O ATOM 815 CB ILE A 61 -21.746 6.256 17.530 1.00 72.21 C ATOM 816 CG1 ILE A 61 -20.802 5.996 18.705 1.00 23.42 C ATOM 817 CG2 ILE A 61 -22.181 4.945 16.892 1.00 31.34 C ATOM 818 CD1 ILE A 61 -19.561 5.219 18.323 1.00 40.32 C ATOM 0 H ILE A 61 -21.065 8.627 17.983 1.00 33.30 H new ATOM 0 HA ILE A 61 -20.156 6.673 16.134 1.00 63.34 H new ATOM 0 HB ILE A 61 -22.633 6.766 17.907 1.00 72.21 H new ATOM 0 HG12 ILE A 61 -20.504 6.950 19.139 1.00 23.42 H new ATOM 0 HG13 ILE A 61 -21.340 5.448 19.479 1.00 23.42 H new ATOM 0 HG21 ILE A 61 -22.661 4.317 17.642 1.00 31.34 H new ATOM 0 HG22 ILE A 61 -22.885 5.149 16.085 1.00 31.34 H new ATOM 0 HG23 ILE A 61 -21.309 4.429 16.490 1.00 31.34 H new ATOM 0 HD11 ILE A 61 -18.938 5.072 19.205 1.00 40.32 H new ATOM 0 HD12 ILE A 61 -19.849 4.250 17.916 1.00 40.32 H new ATOM 0 HD13 ILE A 61 -19.000 5.775 17.572 1.00 40.32 H new ATOM 830 N GLU A 62 -22.970 8.275 15.481 1.00 5.34 N ATOM 831 CA GLU A 62 -23.941 8.568 14.434 1.00 30.41 C ATOM 832 C GLU A 62 -23.245 9.055 13.167 1.00 43.03 C ATOM 833 O GLU A 62 -23.626 8.688 12.056 1.00 72.21 O ATOM 834 CB GLU A 62 -24.942 9.620 14.916 1.00 74.44 C ATOM 835 CG GLU A 62 -26.197 9.027 15.534 1.00 13.13 C ATOM 836 CD GLU A 62 -27.388 9.073 14.596 1.00 23.41 C ATOM 837 OE1 GLU A 62 -28.024 10.143 14.497 1.00 5.10 O ATOM 838 OE2 GLU A 62 -27.684 8.039 13.962 1.00 63.24 O ATOM 0 H GLU A 62 -23.092 8.821 16.334 1.00 5.34 H new ATOM 0 HA GLU A 62 -24.476 7.647 14.202 1.00 30.41 H new ATOM 0 HB2 GLU A 62 -24.455 10.264 15.649 1.00 74.44 H new ATOM 0 HB3 GLU A 62 -25.225 10.252 14.075 1.00 74.44 H new ATOM 0 HG2 GLU A 62 -26.003 7.993 15.819 1.00 13.13 H new ATOM 0 HG3 GLU A 62 -26.438 9.569 16.448 1.00 13.13 H new ATOM 845 N ALA A 63 -22.222 9.885 13.343 1.00 63.14 N ATOM 846 CA ALA A 63 -21.471 10.422 12.214 1.00 21.14 C ATOM 847 C ALA A 63 -20.594 9.349 11.578 1.00 74.33 C ATOM 848 O ALA A 63 -20.667 9.110 10.372 1.00 73.41 O ATOM 849 CB ALA A 63 -20.622 11.604 12.660 1.00 72.52 C ATOM 0 H ALA A 63 -21.894 10.200 14.256 1.00 63.14 H new ATOM 0 HA ALA A 63 -22.184 10.763 11.464 1.00 21.14 H new ATOM 0 HB1 ALA A 63 -20.067 11.995 11.808 1.00 72.52 H new ATOM 0 HB2 ALA A 63 -21.268 12.385 13.062 1.00 72.52 H new ATOM 0 HB3 ALA A 63 -19.923 11.280 13.431 1.00 72.52 H new ATOM 855 N ILE A 64 -19.767 8.706 12.394 1.00 4.15 N ATOM 856 CA ILE A 64 -18.877 7.658 11.910 1.00 43.30 C ATOM 857 C ILE A 64 -19.663 6.426 11.476 1.00 32.05 C ATOM 858 O ILE A 64 -20.709 6.113 12.045 1.00 33.22 O ATOM 859 CB ILE A 64 -17.853 7.248 12.985 1.00 64.03 C ATOM 860 CG1 ILE A 64 -16.751 6.384 12.367 1.00 32.23 C ATOM 861 CG2 ILE A 64 -18.544 6.505 14.118 1.00 25.13 C ATOM 862 CD1 ILE A 64 -15.368 6.704 12.889 1.00 31.35 C ATOM 0 H ILE A 64 -19.694 8.892 13.394 1.00 4.15 H new ATOM 0 HA ILE A 64 -18.345 8.068 11.051 1.00 43.30 H new ATOM 0 HB ILE A 64 -17.396 8.149 13.394 1.00 64.03 H new ATOM 0 HG12 ILE A 64 -16.971 5.334 12.563 1.00 32.23 H new ATOM 0 HG13 ILE A 64 -16.761 6.515 11.285 1.00 32.23 H new ATOM 0 HG21 ILE A 64 -17.807 6.222 14.870 1.00 25.13 H new ATOM 0 HG22 ILE A 64 -19.296 7.151 14.572 1.00 25.13 H new ATOM 0 HG23 ILE A 64 -19.025 5.609 13.726 1.00 25.13 H new ATOM 0 HD11 ILE A 64 -14.638 6.054 12.407 1.00 31.35 H new ATOM 0 HD12 ILE A 64 -15.128 7.744 12.669 1.00 31.35 H new ATOM 0 HD13 ILE A 64 -15.340 6.545 13.967 1.00 31.35 H new ATOM 874 N ASP A 65 -19.152 5.730 10.467 1.00 20.43 N ATOM 875 CA ASP A 65 -19.805 4.529 9.959 1.00 62.23 C ATOM 876 C ASP A 65 -19.009 3.280 10.326 1.00 1.44 C ATOM 877 O ASP A 65 -18.068 3.341 11.119 1.00 54.34 O ATOM 878 CB ASP A 65 -19.969 4.616 8.441 1.00 65.35 C ATOM 879 CG ASP A 65 -20.576 5.932 7.998 1.00 12.21 C ATOM 880 OD1 ASP A 65 -19.831 6.931 7.915 1.00 72.20 O ATOM 881 OD2 ASP A 65 -21.797 5.964 7.736 1.00 40.31 O ATOM 0 H ASP A 65 -18.288 5.976 9.985 1.00 20.43 H new ATOM 0 HA ASP A 65 -20.790 4.458 10.420 1.00 62.23 H new ATOM 0 HB2 ASP A 65 -18.996 4.490 7.966 1.00 65.35 H new ATOM 0 HB3 ASP A 65 -20.600 3.795 8.099 1.00 65.35 H new ATOM 886 N LYS A 66 -19.393 2.148 9.747 1.00 42.24 N ATOM 887 CA LYS A 66 -18.716 0.884 10.012 1.00 10.30 C ATOM 888 C LYS A 66 -18.648 0.028 8.751 1.00 0.34 C ATOM 889 O LYS A 66 -19.385 -0.946 8.611 1.00 34.44 O ATOM 890 CB LYS A 66 -19.439 0.119 11.123 1.00 65.32 C ATOM 891 CG LYS A 66 -18.643 -1.054 11.670 1.00 11.10 C ATOM 892 CD LYS A 66 -19.401 -2.362 11.517 1.00 50.11 C ATOM 893 CE LYS A 66 -18.453 -3.536 11.324 1.00 14.11 C ATOM 894 NZ LYS A 66 -18.535 -4.505 12.451 1.00 21.54 N ATOM 0 H LYS A 66 -20.170 2.080 9.090 1.00 42.24 H new ATOM 0 HA LYS A 66 -17.698 1.105 10.334 1.00 10.30 H new ATOM 0 HB2 LYS A 66 -19.665 0.806 11.938 1.00 65.32 H new ATOM 0 HB3 LYS A 66 -20.392 -0.246 10.741 1.00 65.32 H new ATOM 0 HG2 LYS A 66 -17.689 -1.122 11.148 1.00 11.10 H new ATOM 0 HG3 LYS A 66 -18.419 -0.883 12.723 1.00 11.10 H new ATOM 0 HD2 LYS A 66 -20.017 -2.532 12.400 1.00 50.11 H new ATOM 0 HD3 LYS A 66 -20.077 -2.295 10.664 1.00 50.11 H new ATOM 0 HE2 LYS A 66 -18.690 -4.045 10.390 1.00 14.11 H new ATOM 0 HE3 LYS A 66 -17.431 -3.167 11.236 1.00 14.11 H new ATOM 0 HZ1 LYS A 66 -17.874 -5.290 12.282 1.00 21.54 H new ATOM 0 HZ2 LYS A 66 -18.284 -4.026 13.339 1.00 21.54 H new ATOM 0 HZ3 LYS A 66 -19.504 -4.876 12.520 1.00 21.54 H new ATOM 908 N ASN A 67 -17.757 0.399 7.837 1.00 31.23 N ATOM 909 CA ASN A 67 -17.592 -0.336 6.588 1.00 35.25 C ATOM 910 C ASN A 67 -16.502 0.292 5.727 1.00 45.51 C ATOM 911 O ASN A 67 -15.733 -0.409 5.070 1.00 61.35 O ATOM 912 CB ASN A 67 -18.912 -0.371 5.815 1.00 11.20 C ATOM 913 CG ASN A 67 -19.289 -1.773 5.377 1.00 43.25 C ATOM 914 OD1 ASN A 67 -19.120 -2.138 4.213 1.00 41.41 O ATOM 915 ND2 ASN A 67 -19.802 -2.566 6.309 1.00 33.42 N ATOM 0 H ASN A 67 -17.138 1.204 7.938 1.00 31.23 H new ATOM 0 HA ASN A 67 -17.294 -1.356 6.832 1.00 35.25 H new ATOM 0 HB2 ASN A 67 -19.706 0.037 6.440 1.00 11.20 H new ATOM 0 HB3 ASN A 67 -18.833 0.272 4.938 1.00 11.20 H new ATOM 0 HD21 ASN A 67 -20.074 -3.520 6.073 1.00 33.42 H new ATOM 0 HD22 ASN A 67 -19.924 -2.221 7.261 1.00 33.42 H new ATOM 922 N VAL A 68 -16.440 1.620 5.736 1.00 43.32 N ATOM 923 CA VAL A 68 -15.442 2.344 4.957 1.00 12.41 C ATOM 924 C VAL A 68 -14.252 2.743 5.823 1.00 54.10 C ATOM 925 O VAL A 68 -14.362 2.895 7.040 1.00 64.41 O ATOM 926 CB VAL A 68 -16.042 3.609 4.314 1.00 2.11 C ATOM 927 CG1 VAL A 68 -17.002 3.235 3.195 1.00 42.40 C ATOM 928 CG2 VAL A 68 -16.739 4.460 5.364 1.00 15.51 C ATOM 0 H VAL A 68 -17.069 2.216 6.274 1.00 43.32 H new ATOM 0 HA VAL A 68 -15.105 1.670 4.170 1.00 12.41 H new ATOM 0 HB VAL A 68 -15.231 4.197 3.883 1.00 2.11 H new ATOM 0 HG11 VAL A 68 -17.416 4.141 2.753 1.00 42.40 H new ATOM 0 HG12 VAL A 68 -16.468 2.670 2.431 1.00 42.40 H new ATOM 0 HG13 VAL A 68 -17.811 2.626 3.598 1.00 42.40 H new ATOM 0 HG21 VAL A 68 -17.157 5.349 4.893 1.00 15.51 H new ATOM 0 HG22 VAL A 68 -17.540 3.884 5.826 1.00 15.51 H new ATOM 0 HG23 VAL A 68 -16.020 4.758 6.127 1.00 15.51 H new ATOM 938 N PRO A 69 -13.087 2.918 5.183 1.00 41.24 N ATOM 939 CA PRO A 69 -11.853 3.303 5.875 1.00 74.12 C ATOM 940 C PRO A 69 -11.900 4.738 6.387 1.00 3.42 C ATOM 941 O PRO A 69 -12.113 5.676 5.617 1.00 23.32 O ATOM 942 CB PRO A 69 -10.779 3.155 4.794 1.00 14.41 C ATOM 943 CG PRO A 69 -11.511 3.325 3.507 1.00 21.04 C ATOM 944 CD PRO A 69 -12.884 2.755 3.733 1.00 22.53 C ATOM 0 HA PRO A 69 -11.673 2.692 6.759 1.00 74.12 H new ATOM 0 HB2 PRO A 69 -9.997 3.906 4.907 1.00 14.41 H new ATOM 0 HB3 PRO A 69 -10.294 2.180 4.848 1.00 14.41 H new ATOM 0 HG2 PRO A 69 -11.567 4.377 3.226 1.00 21.04 H new ATOM 0 HG3 PRO A 69 -11.001 2.805 2.696 1.00 21.04 H new ATOM 0 HD2 PRO A 69 -13.641 3.290 3.159 1.00 22.53 H new ATOM 0 HD3 PRO A 69 -12.938 1.708 3.435 1.00 22.53 H new ATOM 952 N CYS A 70 -11.699 4.903 7.690 1.00 50.21 N ATOM 953 CA CYS A 70 -11.718 6.226 8.305 1.00 33.41 C ATOM 954 C CYS A 70 -10.584 6.373 9.314 1.00 21.50 C ATOM 955 O CYS A 70 -10.251 5.429 10.031 1.00 32.42 O ATOM 956 CB CYS A 70 -13.063 6.472 8.992 1.00 44.05 C ATOM 957 SG CYS A 70 -14.497 6.205 7.923 1.00 22.33 S ATOM 0 H CYS A 70 -11.521 4.138 8.341 1.00 50.21 H new ATOM 0 HA CYS A 70 -11.578 6.968 7.518 1.00 33.41 H new ATOM 0 HB2 CYS A 70 -13.142 5.815 9.858 1.00 44.05 H new ATOM 0 HB3 CYS A 70 -13.087 7.496 9.365 1.00 44.05 H new ATOM 0 HG CYS A 70 -14.622 4.935 7.673 1.00 22.33 H new ATOM 963 N TYR A 71 -9.993 7.561 9.363 1.00 41.14 N ATOM 964 CA TYR A 71 -8.893 7.831 10.281 1.00 64.53 C ATOM 965 C TYR A 71 -9.284 8.893 11.304 1.00 72.45 C ATOM 966 O TYR A 71 -9.782 9.960 10.947 1.00 72.00 O ATOM 967 CB TYR A 71 -7.654 8.284 9.506 1.00 11.52 C ATOM 968 CG TYR A 71 -7.026 7.190 8.673 1.00 12.10 C ATOM 969 CD1 TYR A 71 -6.213 6.226 9.256 1.00 71.14 C ATOM 970 CD2 TYR A 71 -7.247 7.120 7.303 1.00 61.01 C ATOM 971 CE1 TYR A 71 -5.637 5.225 8.498 1.00 62.20 C ATOM 972 CE2 TYR A 71 -6.676 6.122 6.538 1.00 61.44 C ATOM 973 CZ TYR A 71 -5.871 5.177 7.140 1.00 73.34 C ATOM 974 OH TYR A 71 -5.300 4.180 6.382 1.00 53.34 O ATOM 0 H TYR A 71 -10.257 8.353 8.777 1.00 41.14 H new ATOM 0 HA TYR A 71 -8.663 6.908 10.813 1.00 64.53 H new ATOM 0 HB2 TYR A 71 -7.927 9.114 8.854 1.00 11.52 H new ATOM 0 HB3 TYR A 71 -6.914 8.663 10.211 1.00 11.52 H new ATOM 0 HD1 TYR A 71 -6.028 6.260 10.320 1.00 71.14 H new ATOM 0 HD2 TYR A 71 -7.876 7.859 6.828 1.00 61.01 H new ATOM 0 HE1 TYR A 71 -5.007 4.484 8.967 1.00 62.20 H new ATOM 0 HE2 TYR A 71 -6.859 6.082 5.474 1.00 61.44 H new ATOM 0 HH TYR A 71 -5.128 3.398 6.947 1.00 53.34 H new ATOM 984 N ALA A 72 -9.054 8.591 12.577 1.00 14.13 N ATOM 985 CA ALA A 72 -9.380 9.519 13.653 1.00 41.52 C ATOM 986 C ALA A 72 -8.128 9.931 14.420 1.00 11.32 C ATOM 987 O ALA A 72 -7.405 9.086 14.946 1.00 31.14 O ATOM 988 CB ALA A 72 -10.399 8.898 14.596 1.00 30.12 C ATOM 0 H ALA A 72 -8.643 7.711 12.889 1.00 14.13 H new ATOM 0 HA ALA A 72 -9.813 10.415 13.208 1.00 41.52 H new ATOM 0 HB1 ALA A 72 -10.633 9.602 15.394 1.00 30.12 H new ATOM 0 HB2 ALA A 72 -11.308 8.661 14.044 1.00 30.12 H new ATOM 0 HB3 ALA A 72 -9.987 7.985 15.027 1.00 30.12 H new ATOM 994 N ALA A 73 -7.878 11.235 14.479 1.00 0.21 N ATOM 995 CA ALA A 73 -6.714 11.759 15.183 1.00 31.33 C ATOM 996 C ALA A 73 -7.119 12.424 16.494 1.00 20.24 C ATOM 997 O ALA A 73 -7.941 13.341 16.509 1.00 23.52 O ATOM 998 CB ALA A 73 -5.962 12.743 14.300 1.00 5.03 C ATOM 0 H ALA A 73 -8.466 11.948 14.048 1.00 0.21 H new ATOM 0 HA ALA A 73 -6.056 10.923 15.418 1.00 31.33 H new ATOM 0 HB1 ALA A 73 -5.095 13.126 14.839 1.00 5.03 H new ATOM 0 HB2 ALA A 73 -5.631 12.238 13.392 1.00 5.03 H new ATOM 0 HB3 ALA A 73 -6.620 13.571 14.035 1.00 5.03 H new ATOM 1004 N PHE A 74 -6.538 11.956 17.594 1.00 22.01 N ATOM 1005 CA PHE A 74 -6.840 12.505 18.911 1.00 63.30 C ATOM 1006 C PHE A 74 -5.597 13.131 19.537 1.00 30.23 C ATOM 1007 O PHE A 74 -4.548 12.493 19.633 1.00 35.20 O ATOM 1008 CB PHE A 74 -7.391 11.411 19.828 1.00 12.33 C ATOM 1009 CG PHE A 74 -8.541 11.867 20.680 1.00 1.35 C ATOM 1010 CD1 PHE A 74 -8.315 12.563 21.857 1.00 11.21 C ATOM 1011 CD2 PHE A 74 -9.847 11.599 20.305 1.00 15.41 C ATOM 1012 CE1 PHE A 74 -9.371 12.985 22.643 1.00 22.45 C ATOM 1013 CE2 PHE A 74 -10.907 12.019 21.087 1.00 31.42 C ATOM 1014 CZ PHE A 74 -10.669 12.711 22.258 1.00 24.13 C ATOM 0 H PHE A 74 -5.856 11.198 17.599 1.00 22.01 H new ATOM 0 HA PHE A 74 -7.595 13.282 18.790 1.00 63.30 H new ATOM 0 HB2 PHE A 74 -7.713 10.566 19.220 1.00 12.33 H new ATOM 0 HB3 PHE A 74 -6.590 11.052 20.474 1.00 12.33 H new ATOM 0 HD1 PHE A 74 -7.302 12.778 22.164 1.00 11.21 H new ATOM 0 HD2 PHE A 74 -10.040 11.056 19.392 1.00 15.41 H new ATOM 0 HE1 PHE A 74 -9.181 13.528 23.557 1.00 22.45 H new ATOM 0 HE2 PHE A 74 -11.921 11.806 20.782 1.00 31.42 H new ATOM 0 HZ PHE A 74 -11.496 13.037 22.871 1.00 24.13 H new ATOM 1024 N ASP A 75 -5.723 14.383 19.961 1.00 0.43 N ATOM 1025 CA ASP A 75 -4.611 15.097 20.579 1.00 72.10 C ATOM 1026 C ASP A 75 -4.795 15.185 22.091 1.00 63.41 C ATOM 1027 O ASP A 75 -5.767 15.763 22.576 1.00 1.42 O ATOM 1028 CB ASP A 75 -4.486 16.501 19.986 1.00 41.13 C ATOM 1029 CG ASP A 75 -3.101 17.089 20.176 1.00 73.51 C ATOM 1030 OD1 ASP A 75 -2.146 16.307 20.365 1.00 65.23 O ATOM 1031 OD2 ASP A 75 -2.973 18.330 20.135 1.00 32.12 O ATOM 0 H ASP A 75 -6.584 14.925 19.888 1.00 0.43 H new ATOM 0 HA ASP A 75 -3.696 14.541 20.374 1.00 72.10 H new ATOM 0 HB2 ASP A 75 -4.719 16.465 18.922 1.00 41.13 H new ATOM 0 HB3 ASP A 75 -5.223 17.156 20.452 1.00 41.13 H new ATOM 1036 N PHE A 76 -3.855 14.605 22.830 1.00 3.54 N ATOM 1037 CA PHE A 76 -3.914 14.616 24.287 1.00 5.25 C ATOM 1038 C PHE A 76 -2.706 15.341 24.875 1.00 15.42 C ATOM 1039 O PHE A 76 -1.564 14.929 24.675 1.00 55.40 O ATOM 1040 CB PHE A 76 -3.976 13.186 24.827 1.00 22.21 C ATOM 1041 CG PHE A 76 -4.168 13.114 26.315 1.00 12.30 C ATOM 1042 CD1 PHE A 76 -5.166 13.849 26.934 1.00 54.41 C ATOM 1043 CD2 PHE A 76 -3.351 12.312 27.095 1.00 72.43 C ATOM 1044 CE1 PHE A 76 -5.345 13.786 28.303 1.00 61.01 C ATOM 1045 CE2 PHE A 76 -3.525 12.244 28.464 1.00 33.23 C ATOM 1046 CZ PHE A 76 -4.524 12.981 29.069 1.00 53.31 C ATOM 0 H PHE A 76 -3.044 14.122 22.444 1.00 3.54 H new ATOM 0 HA PHE A 76 -4.817 15.149 24.585 1.00 5.25 H new ATOM 0 HB2 PHE A 76 -4.793 12.657 24.337 1.00 22.21 H new ATOM 0 HB3 PHE A 76 -3.055 12.666 24.562 1.00 22.21 H new ATOM 0 HD1 PHE A 76 -5.812 14.479 26.340 1.00 54.41 H new ATOM 0 HD2 PHE A 76 -2.569 11.733 26.627 1.00 72.43 H new ATOM 0 HE1 PHE A 76 -6.126 14.365 28.773 1.00 61.01 H new ATOM 0 HE2 PHE A 76 -2.880 11.615 29.060 1.00 33.23 H new ATOM 0 HZ PHE A 76 -4.663 12.928 30.139 1.00 53.31 H new ATOM 1056 N GLU A 77 -2.969 16.424 25.601 1.00 75.13 N ATOM 1057 CA GLU A 77 -1.905 17.207 26.216 1.00 3.42 C ATOM 1058 C GLU A 77 -1.558 16.662 27.599 1.00 41.42 C ATOM 1059 O GLU A 77 -2.441 16.285 28.369 1.00 55.41 O ATOM 1060 CB GLU A 77 -2.319 18.676 26.324 1.00 12.32 C ATOM 1061 CG GLU A 77 -1.250 19.567 26.933 1.00 44.41 C ATOM 1062 CD GLU A 77 -1.817 20.852 27.506 1.00 62.33 C ATOM 1063 OE1 GLU A 77 -3.055 21.010 27.497 1.00 33.32 O ATOM 1064 OE2 GLU A 77 -1.021 21.699 27.963 1.00 71.11 O ATOM 0 H GLU A 77 -3.909 16.778 25.777 1.00 75.13 H new ATOM 0 HA GLU A 77 -1.021 17.132 25.582 1.00 3.42 H new ATOM 0 HB2 GLU A 77 -2.568 19.049 25.330 1.00 12.32 H new ATOM 0 HB3 GLU A 77 -3.225 18.746 26.926 1.00 12.32 H new ATOM 0 HG2 GLU A 77 -0.732 19.020 27.721 1.00 44.41 H new ATOM 0 HG3 GLU A 77 -0.508 19.809 26.172 1.00 44.41 H new ATOM 1167 N ARG A 85 3.276 19.726 26.847 1.00 24.04 N ATOM 1168 CA ARG A 85 3.499 18.598 25.951 1.00 43.33 C ATOM 1169 C ARG A 85 2.187 18.130 25.329 1.00 12.12 C ATOM 1170 O ARG A 85 1.125 18.238 25.942 1.00 13.04 O ATOM 1171 CB ARG A 85 4.160 17.443 26.705 1.00 72.43 C ATOM 1172 CG ARG A 85 5.269 16.759 25.921 1.00 14.04 C ATOM 1173 CD ARG A 85 4.838 15.386 25.430 1.00 64.22 C ATOM 1174 NE ARG A 85 5.876 14.741 24.630 1.00 24.22 N ATOM 1175 CZ ARG A 85 6.083 15.004 23.345 1.00 65.23 C ATOM 1176 NH1 ARG A 85 5.328 15.895 22.717 1.00 63.52 N ATOM 1177 NH2 ARG A 85 7.048 14.376 22.685 1.00 61.43 N ATOM 0 HA ARG A 85 4.163 18.927 25.151 1.00 43.33 H new ATOM 0 HB2 ARG A 85 4.568 17.819 27.643 1.00 72.43 H new ATOM 0 HB3 ARG A 85 3.400 16.705 26.961 1.00 72.43 H new ATOM 0 HG2 ARG A 85 5.550 17.379 25.070 1.00 14.04 H new ATOM 0 HG3 ARG A 85 6.154 16.661 26.550 1.00 14.04 H new ATOM 0 HD2 ARG A 85 4.595 14.755 26.285 1.00 64.22 H new ATOM 0 HD3 ARG A 85 3.929 15.482 24.836 1.00 64.22 H new ATOM 0 HE ARG A 85 6.475 14.051 25.083 1.00 24.22 H new ATOM 0 HH11 ARG A 85 4.586 16.380 23.221 1.00 63.52 H new ATOM 0 HH12 ARG A 85 5.489 16.095 21.730 1.00 63.52 H new ATOM 0 HH21 ARG A 85 7.631 13.691 23.165 1.00 61.43 H new ATOM 0 HH22 ARG A 85 7.206 14.579 21.698 1.00 61.43 H new ATOM 1191 N ASP A 86 2.268 17.611 24.109 1.00 21.11 N ATOM 1192 CA ASP A 86 1.087 17.126 23.404 1.00 21.34 C ATOM 1193 C ASP A 86 1.426 15.909 22.549 1.00 45.11 C ATOM 1194 O ASP A 86 2.434 15.895 21.842 1.00 41.35 O ATOM 1195 CB ASP A 86 0.499 18.233 22.528 1.00 21.21 C ATOM 1196 CG ASP A 86 1.357 18.526 21.313 1.00 52.40 C ATOM 1197 OD1 ASP A 86 1.283 17.754 20.335 1.00 62.12 O ATOM 1198 OD2 ASP A 86 2.102 19.528 21.340 1.00 3.25 O ATOM 0 H ASP A 86 3.139 17.515 23.587 1.00 21.11 H new ATOM 0 HA ASP A 86 0.347 16.830 24.147 1.00 21.34 H new ATOM 0 HB2 ASP A 86 -0.500 17.943 22.202 1.00 21.21 H new ATOM 0 HB3 ASP A 86 0.390 19.142 23.120 1.00 21.21 H new ATOM 1203 N LYS A 87 0.579 14.888 22.619 1.00 23.12 N ATOM 1204 CA LYS A 87 0.788 13.666 21.852 1.00 71.22 C ATOM 1205 C LYS A 87 -0.409 13.378 20.951 1.00 41.11 C ATOM 1206 O LYS A 87 -1.547 13.311 21.416 1.00 34.34 O ATOM 1207 CB LYS A 87 1.027 12.483 22.793 1.00 64.13 C ATOM 1208 CG LYS A 87 2.497 12.191 23.040 1.00 22.43 C ATOM 1209 CD LYS A 87 3.204 11.767 21.764 1.00 62.32 C ATOM 1210 CE LYS A 87 3.406 10.260 21.713 1.00 43.14 C ATOM 1211 NZ LYS A 87 4.616 9.837 22.471 1.00 70.31 N ATOM 0 H LYS A 87 -0.260 14.883 23.200 1.00 23.12 H new ATOM 0 HA LYS A 87 1.668 13.807 21.224 1.00 71.22 H new ATOM 0 HB2 LYS A 87 0.540 12.684 23.747 1.00 64.13 H new ATOM 0 HB3 LYS A 87 0.554 11.595 22.374 1.00 64.13 H new ATOM 0 HG2 LYS A 87 2.981 13.078 23.448 1.00 22.43 H new ATOM 0 HG3 LYS A 87 2.592 11.404 23.788 1.00 22.43 H new ATOM 0 HD2 LYS A 87 2.621 12.086 20.900 1.00 62.32 H new ATOM 0 HD3 LYS A 87 4.170 12.267 21.699 1.00 62.32 H new ATOM 0 HE2 LYS A 87 2.528 9.762 22.123 1.00 43.14 H new ATOM 0 HE3 LYS A 87 3.498 9.941 20.675 1.00 43.14 H new ATOM 0 HZ1 LYS A 87 4.428 8.932 22.947 1.00 70.31 H new ATOM 0 HZ2 LYS A 87 5.415 9.724 21.815 1.00 70.31 H new ATOM 0 HZ3 LYS A 87 4.851 10.560 23.181 1.00 70.31 H new ATOM 1225 N LEU A 88 -0.145 13.208 19.660 1.00 24.13 N ATOM 1226 CA LEU A 88 -1.200 12.926 18.694 1.00 72.52 C ATOM 1227 C LEU A 88 -1.239 11.440 18.348 1.00 45.53 C ATOM 1228 O LEU A 88 -0.217 10.848 17.998 1.00 11.13 O ATOM 1229 CB LEU A 88 -0.990 13.752 17.424 1.00 73.34 C ATOM 1230 CG LEU A 88 -1.296 15.246 17.536 1.00 34.53 C ATOM 1231 CD1 LEU A 88 -0.076 16.005 18.033 1.00 62.40 C ATOM 1232 CD2 LEU A 88 -1.761 15.797 16.196 1.00 11.34 C ATOM 0 H LEU A 88 0.791 13.261 19.258 1.00 24.13 H new ATOM 0 HA LEU A 88 -2.154 13.200 19.144 1.00 72.52 H new ATOM 0 HB2 LEU A 88 0.047 13.637 17.107 1.00 73.34 H new ATOM 0 HB3 LEU A 88 -1.613 13.332 16.634 1.00 73.34 H new ATOM 0 HG LEU A 88 -2.100 15.380 18.259 1.00 34.53 H new ATOM 0 HD11 LEU A 88 -0.313 17.066 18.106 1.00 62.40 H new ATOM 0 HD12 LEU A 88 0.212 15.629 19.015 1.00 62.40 H new ATOM 0 HD13 LEU A 88 0.749 15.865 17.335 1.00 62.40 H new ATOM 0 HD21 LEU A 88 -1.974 16.861 16.295 1.00 11.34 H new ATOM 0 HD22 LEU A 88 -0.979 15.651 15.451 1.00 11.34 H new ATOM 0 HD23 LEU A 88 -2.664 15.274 15.881 1.00 11.34 H new ATOM 1244 N ILE A 89 -2.423 10.846 18.445 1.00 22.02 N ATOM 1245 CA ILE A 89 -2.594 9.431 18.139 1.00 13.22 C ATOM 1246 C ILE A 89 -3.500 9.237 16.928 1.00 62.33 C ATOM 1247 O ILE A 89 -4.410 10.031 16.685 1.00 22.51 O ATOM 1248 CB ILE A 89 -3.186 8.664 19.336 1.00 24.14 C ATOM 1249 CG1 ILE A 89 -2.709 9.283 20.652 1.00 32.42 C ATOM 1250 CG2 ILE A 89 -2.800 7.194 19.266 1.00 72.21 C ATOM 1251 CD1 ILE A 89 -1.203 9.358 20.774 1.00 14.31 C ATOM 0 H ILE A 89 -3.278 11.322 18.733 1.00 22.02 H new ATOM 0 HA ILE A 89 -1.603 9.034 17.917 1.00 13.22 H new ATOM 0 HB ILE A 89 -4.273 8.737 19.294 1.00 24.14 H new ATOM 0 HG12 ILE A 89 -3.123 10.287 20.743 1.00 32.42 H new ATOM 0 HG13 ILE A 89 -3.104 8.699 21.483 1.00 32.42 H new ATOM 0 HG21 ILE A 89 -3.226 6.665 20.119 1.00 72.21 H new ATOM 0 HG22 ILE A 89 -3.183 6.761 18.342 1.00 72.21 H new ATOM 0 HG23 ILE A 89 -1.714 7.102 19.287 1.00 72.21 H new ATOM 0 HD11 ILE A 89 -0.937 9.807 21.731 1.00 14.31 H new ATOM 0 HD12 ILE A 89 -0.783 8.354 20.715 1.00 14.31 H new ATOM 0 HD13 ILE A 89 -0.802 9.967 19.964 1.00 14.31 H new ATOM 1263 N LEU A 90 -3.246 8.175 16.171 1.00 63.02 N ATOM 1264 CA LEU A 90 -4.039 7.874 14.984 1.00 33.33 C ATOM 1265 C LEU A 90 -4.687 6.498 15.097 1.00 32.55 C ATOM 1266 O LEU A 90 -3.997 5.483 15.204 1.00 15.03 O ATOM 1267 CB LEU A 90 -3.164 7.936 13.732 1.00 44.34 C ATOM 1268 CG LEU A 90 -3.695 8.795 12.583 1.00 32.33 C ATOM 1269 CD1 LEU A 90 -4.964 8.187 12.006 1.00 54.30 C ATOM 1270 CD2 LEU A 90 -3.950 10.219 13.056 1.00 72.34 C ATOM 0 H LEU A 90 -2.497 7.508 16.358 1.00 63.02 H new ATOM 0 HA LEU A 90 -4.828 8.622 14.906 1.00 33.33 H new ATOM 0 HB2 LEU A 90 -2.182 8.314 14.018 1.00 44.34 H new ATOM 0 HB3 LEU A 90 -3.020 6.920 13.363 1.00 44.34 H new ATOM 0 HG LEU A 90 -2.941 8.825 11.797 1.00 32.33 H new ATOM 0 HD11 LEU A 90 -5.328 8.811 11.190 1.00 54.30 H new ATOM 0 HD12 LEU A 90 -4.750 7.187 11.630 1.00 54.30 H new ATOM 0 HD13 LEU A 90 -5.725 8.127 12.784 1.00 54.30 H new ATOM 0 HD21 LEU A 90 -4.327 10.816 12.226 1.00 72.34 H new ATOM 0 HD22 LEU A 90 -4.686 10.209 13.860 1.00 72.34 H new ATOM 0 HD23 LEU A 90 -3.019 10.653 13.422 1.00 72.34 H new ATOM 1282 N ILE A 91 -6.015 6.471 15.071 1.00 33.42 N ATOM 1283 CA ILE A 91 -6.756 5.219 15.167 1.00 24.35 C ATOM 1284 C ILE A 91 -7.579 4.969 13.909 1.00 71.24 C ATOM 1285 O ILE A 91 -8.326 5.838 13.460 1.00 11.43 O ATOM 1286 CB ILE A 91 -7.692 5.211 16.390 1.00 53.20 C ATOM 1287 CG1 ILE A 91 -6.894 5.449 17.673 1.00 23.02 C ATOM 1288 CG2 ILE A 91 -8.451 3.895 16.468 1.00 63.41 C ATOM 1289 CD1 ILE A 91 -6.756 6.911 18.037 1.00 31.32 C ATOM 0 H ILE A 91 -6.600 7.302 14.984 1.00 33.42 H new ATOM 0 HA ILE A 91 -6.019 4.424 15.279 1.00 24.35 H new ATOM 0 HB ILE A 91 -8.415 6.019 16.280 1.00 53.20 H new ATOM 0 HG12 ILE A 91 -7.378 4.922 18.495 1.00 23.02 H new ATOM 0 HG13 ILE A 91 -5.900 5.016 17.559 1.00 23.02 H new ATOM 0 HG21 ILE A 91 -9.108 3.905 17.338 1.00 63.41 H new ATOM 0 HG22 ILE A 91 -9.047 3.764 15.565 1.00 63.41 H new ATOM 0 HG23 ILE A 91 -7.743 3.071 16.558 1.00 63.41 H new ATOM 0 HD11 ILE A 91 -6.179 7.004 18.957 1.00 31.32 H new ATOM 0 HD12 ILE A 91 -6.244 7.439 17.233 1.00 31.32 H new ATOM 0 HD13 ILE A 91 -7.745 7.344 18.184 1.00 31.32 H new ATOM 1301 N SER A 92 -7.439 3.774 13.344 1.00 64.14 N ATOM 1302 CA SER A 92 -8.168 3.409 12.135 1.00 51.32 C ATOM 1303 C SER A 92 -9.368 2.528 12.469 1.00 10.52 C ATOM 1304 O SER A 92 -9.215 1.424 12.991 1.00 63.03 O ATOM 1305 CB SER A 92 -7.244 2.682 11.156 1.00 52.00 C ATOM 1306 OG SER A 92 -7.924 1.623 10.504 1.00 22.03 O ATOM 0 H SER A 92 -6.827 3.042 13.704 1.00 64.14 H new ATOM 0 HA SER A 92 -8.530 4.325 11.669 1.00 51.32 H new ATOM 0 HB2 SER A 92 -6.867 3.387 10.415 1.00 52.00 H new ATOM 0 HB3 SER A 92 -6.379 2.289 11.691 1.00 52.00 H new ATOM 0 HG SER A 92 -7.327 1.206 9.848 1.00 22.03 H new ATOM 1312 N TRP A 93 -10.561 3.026 12.165 1.00 34.44 N ATOM 1313 CA TRP A 93 -11.789 2.285 12.433 1.00 23.55 C ATOM 1314 C TRP A 93 -12.381 1.727 11.144 1.00 42.33 C ATOM 1315 O TRP A 93 -12.807 2.481 10.269 1.00 23.35 O ATOM 1316 CB TRP A 93 -12.810 3.184 13.131 1.00 10.41 C ATOM 1317 CG TRP A 93 -13.897 2.421 13.826 1.00 3.54 C ATOM 1318 CD1 TRP A 93 -14.112 1.074 13.777 1.00 34.23 C ATOM 1319 CD2 TRP A 93 -14.917 2.963 14.673 1.00 23.51 C ATOM 1320 NE1 TRP A 93 -15.205 0.744 14.543 1.00 52.54 N ATOM 1321 CE2 TRP A 93 -15.716 1.885 15.103 1.00 2.23 C ATOM 1322 CE3 TRP A 93 -15.231 4.252 15.111 1.00 35.54 C ATOM 1323 CZ2 TRP A 93 -16.808 2.060 15.948 1.00 14.24 C ATOM 1324 CZ3 TRP A 93 -16.316 4.424 15.950 1.00 74.42 C ATOM 1325 CH2 TRP A 93 -17.094 3.333 16.362 1.00 42.01 C ATOM 0 H TRP A 93 -10.705 3.939 11.733 1.00 34.44 H new ATOM 0 HA TRP A 93 -11.543 1.450 13.089 1.00 23.55 H new ATOM 0 HB2 TRP A 93 -12.294 3.811 13.858 1.00 10.41 H new ATOM 0 HB3 TRP A 93 -13.258 3.852 12.395 1.00 10.41 H new ATOM 0 HD1 TRP A 93 -13.512 0.371 13.219 1.00 34.23 H new ATOM 0 HE1 TRP A 93 -15.575 -0.197 14.673 1.00 52.54 H new ATOM 0 HE3 TRP A 93 -14.637 5.099 14.800 1.00 35.54 H new ATOM 0 HZ2 TRP A 93 -17.409 1.221 16.266 1.00 14.24 H new ATOM 0 HZ3 TRP A 93 -16.569 5.416 16.294 1.00 74.42 H new ATOM 0 HH2 TRP A 93 -17.935 3.500 17.019 1.00 42.01 H new ATOM 1336 N ASN A 94 -12.405 0.403 11.032 1.00 3.12 N ATOM 1337 CA ASN A 94 -12.945 -0.255 9.848 1.00 41.41 C ATOM 1338 C ASN A 94 -12.855 -1.772 9.980 1.00 43.15 C ATOM 1339 O ASN A 94 -12.017 -2.308 10.705 1.00 30.32 O ATOM 1340 CB ASN A 94 -12.195 0.206 8.596 1.00 25.55 C ATOM 1341 CG ASN A 94 -10.690 0.098 8.752 1.00 1.03 C ATOM 1342 OD1 ASN A 94 -10.195 -0.519 9.696 1.00 41.13 O ATOM 1343 ND2 ASN A 94 -9.955 0.700 7.825 1.00 44.22 N ATOM 0 H ASN A 94 -12.057 -0.236 11.747 1.00 3.12 H new ATOM 0 HA ASN A 94 -13.995 0.022 9.756 1.00 41.41 H new ATOM 0 HB2 ASN A 94 -12.513 -0.394 7.743 1.00 25.55 H new ATOM 0 HB3 ASN A 94 -12.462 1.240 8.376 1.00 25.55 H new ATOM 0 HD21 ASN A 94 -8.937 0.663 7.878 1.00 44.22 H new ATOM 0 HD22 ASN A 94 -10.408 1.200 7.060 1.00 44.22 H new ATOM 1350 N PRO A 95 -13.737 -2.482 9.261 1.00 52.32 N ATOM 1351 CA PRO A 95 -13.777 -3.947 9.279 1.00 1.13 C ATOM 1352 C PRO A 95 -12.567 -4.568 8.590 1.00 72.44 C ATOM 1353 O PRO A 95 -12.218 -4.192 7.471 1.00 64.43 O ATOM 1354 CB PRO A 95 -15.059 -4.277 8.510 1.00 3.33 C ATOM 1355 CG PRO A 95 -15.279 -3.103 7.620 1.00 40.20 C ATOM 1356 CD PRO A 95 -14.764 -1.908 8.374 1.00 21.45 C ATOM 0 HA PRO A 95 -13.760 -4.343 10.294 1.00 1.13 H new ATOM 0 HB2 PRO A 95 -14.950 -5.196 7.934 1.00 3.33 H new ATOM 0 HB3 PRO A 95 -15.900 -4.424 9.187 1.00 3.33 H new ATOM 0 HG2 PRO A 95 -14.750 -3.225 6.675 1.00 40.20 H new ATOM 0 HG3 PRO A 95 -16.336 -2.987 7.381 1.00 40.20 H new ATOM 0 HD2 PRO A 95 -14.343 -1.160 7.702 1.00 21.45 H new ATOM 0 HD3 PRO A 95 -15.556 -1.418 8.940 1.00 21.45 H new ATOM 1364 N ASP A 96 -11.932 -5.521 9.264 1.00 54.12 N ATOM 1365 CA ASP A 96 -10.762 -6.196 8.715 1.00 51.13 C ATOM 1366 C ASP A 96 -11.137 -7.024 7.490 1.00 73.12 C ATOM 1367 O ASP A 96 -10.410 -7.047 6.497 1.00 1.11 O ATOM 1368 CB ASP A 96 -10.120 -7.092 9.775 1.00 62.24 C ATOM 1369 CG ASP A 96 -8.946 -7.883 9.230 1.00 11.55 C ATOM 1370 OD1 ASP A 96 -7.848 -7.302 9.102 1.00 4.13 O ATOM 1371 OD2 ASP A 96 -9.126 -9.082 8.934 1.00 43.15 O ATOM 0 H ASP A 96 -12.208 -5.843 10.192 1.00 54.12 H new ATOM 0 HA ASP A 96 -10.044 -5.435 8.410 1.00 51.13 H new ATOM 0 HB2 ASP A 96 -9.784 -6.478 10.611 1.00 62.24 H new ATOM 0 HB3 ASP A 96 -10.869 -7.781 10.166 1.00 62.24 H new ATOM 1376 N SER A 97 -12.277 -7.704 7.568 1.00 63.11 N ATOM 1377 CA SER A 97 -12.746 -8.538 6.468 1.00 52.14 C ATOM 1378 C SER A 97 -13.960 -7.910 5.790 1.00 53.12 C ATOM 1379 O SER A 97 -14.661 -8.563 5.017 1.00 3.51 O ATOM 1380 CB SER A 97 -13.098 -9.938 6.975 1.00 53.32 C ATOM 1381 OG SER A 97 -13.626 -9.886 8.289 1.00 75.13 O ATOM 0 H SER A 97 -12.892 -7.693 8.381 1.00 63.11 H new ATOM 0 HA SER A 97 -11.942 -8.616 5.736 1.00 52.14 H new ATOM 0 HB2 SER A 97 -13.824 -10.399 6.306 1.00 53.32 H new ATOM 0 HB3 SER A 97 -12.208 -10.568 6.962 1.00 53.32 H new ATOM 0 HG SER A 97 -13.845 -10.793 8.590 1.00 75.13 H new ATOM 1387 N GLY A 98 -14.203 -6.637 6.086 1.00 40.40 N ATOM 1388 CA GLY A 98 -15.332 -5.940 5.498 1.00 74.42 C ATOM 1389 C GLY A 98 -15.306 -5.969 3.983 1.00 42.15 C ATOM 1390 O GLY A 98 -15.780 -6.921 3.365 1.00 73.54 O ATOM 0 H GLY A 98 -13.638 -6.076 6.723 1.00 40.40 H new ATOM 0 HA2 GLY A 98 -16.258 -6.393 5.851 1.00 74.42 H new ATOM 0 HA3 GLY A 98 -15.333 -4.905 5.839 1.00 74.42 H new ATOM 1394 N ALA A 99 -14.751 -4.921 3.382 1.00 30.12 N ATOM 1395 CA ALA A 99 -14.664 -4.830 1.930 1.00 34.00 C ATOM 1396 C ALA A 99 -13.213 -4.747 1.471 1.00 43.52 C ATOM 1397 O ALA A 99 -12.316 -4.379 2.230 1.00 12.24 O ATOM 1398 CB ALA A 99 -15.449 -3.626 1.429 1.00 64.31 C ATOM 0 H ALA A 99 -14.355 -4.123 3.879 1.00 30.12 H new ATOM 0 HA ALA A 99 -15.099 -5.735 1.507 1.00 34.00 H new ATOM 0 HB1 ALA A 99 -15.375 -3.570 0.343 1.00 64.31 H new ATOM 0 HB2 ALA A 99 -16.495 -3.728 1.717 1.00 64.31 H new ATOM 0 HB3 ALA A 99 -15.039 -2.716 1.868 1.00 64.31 H new ATOM 1404 N PRO A 100 -12.973 -5.096 0.198 1.00 23.03 N ATOM 1405 CA PRO A 100 -11.630 -5.069 -0.390 1.00 54.24 C ATOM 1406 C PRO A 100 -11.109 -3.648 -0.579 1.00 60.44 C ATOM 1407 O PRO A 100 -9.919 -3.385 -0.402 1.00 74.23 O ATOM 1408 CB PRO A 100 -11.824 -5.752 -1.746 1.00 61.24 C ATOM 1409 CG PRO A 100 -13.261 -5.538 -2.077 1.00 44.31 C ATOM 1410 CD PRO A 100 -13.993 -5.544 -0.764 1.00 32.20 C ATOM 0 HA PRO A 100 -10.895 -5.559 0.248 1.00 54.24 H new ATOM 0 HB2 PRO A 100 -11.174 -5.317 -2.505 1.00 61.24 H new ATOM 0 HB3 PRO A 100 -11.584 -6.814 -1.692 1.00 61.24 H new ATOM 0 HG2 PRO A 100 -13.405 -4.592 -2.600 1.00 44.31 H new ATOM 0 HG3 PRO A 100 -13.632 -6.325 -2.734 1.00 44.31 H new ATOM 0 HD2 PRO A 100 -14.852 -4.873 -0.780 1.00 32.20 H new ATOM 0 HD3 PRO A 100 -14.369 -6.537 -0.518 1.00 32.20 H new ATOM 1418 N ARG A 101 -12.006 -2.737 -0.939 1.00 53.43 N ATOM 1419 CA ARG A 101 -11.636 -1.343 -1.153 1.00 2.22 C ATOM 1420 C ARG A 101 -11.266 -0.670 0.166 1.00 32.31 C ATOM 1421 O ARG A 101 -10.412 0.216 0.206 1.00 14.33 O ATOM 1422 CB ARG A 101 -12.784 -0.584 -1.820 1.00 74.00 C ATOM 1423 CG ARG A 101 -13.241 -1.201 -3.132 1.00 42.21 C ATOM 1424 CD ARG A 101 -12.504 -0.597 -4.318 1.00 14.24 C ATOM 1425 NE ARG A 101 -11.837 -1.615 -5.124 1.00 73.22 N ATOM 1426 CZ ARG A 101 -12.483 -2.472 -5.907 1.00 53.13 C ATOM 1427 NH1 ARG A 101 -13.806 -2.433 -5.989 1.00 51.32 N ATOM 1428 NH2 ARG A 101 -11.806 -3.370 -6.611 1.00 61.01 N ATOM 0 H ARG A 101 -12.995 -2.939 -1.089 1.00 53.43 H new ATOM 0 HA ARG A 101 -10.766 -1.321 -1.809 1.00 2.22 H new ATOM 0 HB2 ARG A 101 -13.629 -0.544 -1.133 1.00 74.00 H new ATOM 0 HB3 ARG A 101 -12.472 0.444 -2.001 1.00 74.00 H new ATOM 0 HG2 ARG A 101 -13.072 -2.278 -3.107 1.00 42.21 H new ATOM 0 HG3 ARG A 101 -14.314 -1.049 -3.253 1.00 42.21 H new ATOM 0 HD2 ARG A 101 -13.209 -0.046 -4.941 1.00 14.24 H new ATOM 0 HD3 ARG A 101 -11.767 0.121 -3.959 1.00 14.24 H new ATOM 0 HE ARG A 101 -10.819 -1.671 -5.084 1.00 73.22 H new ATOM 0 HH11 ARG A 101 -14.330 -1.744 -5.450 1.00 51.32 H new ATOM 0 HH12 ARG A 101 -14.299 -3.092 -6.591 1.00 51.32 H new ATOM 0 HH21 ARG A 101 -10.788 -3.403 -6.551 1.00 61.01 H new ATOM 0 HH22 ARG A 101 -12.303 -4.027 -7.212 1.00 61.01 H new ATOM 1442 N THR A 102 -11.915 -1.098 1.245 1.00 53.32 N ATOM 1443 CA THR A 102 -11.657 -0.537 2.565 1.00 43.52 C ATOM 1444 C THR A 102 -10.320 -1.020 3.115 1.00 1.34 C ATOM 1445 O THR A 102 -9.519 -0.228 3.613 1.00 22.20 O ATOM 1446 CB THR A 102 -12.773 -0.905 3.560 1.00 24.35 C ATOM 1447 OG1 THR A 102 -14.025 -0.378 3.110 1.00 52.21 O ATOM 1448 CG2 THR A 102 -12.459 -0.367 4.948 1.00 14.52 C ATOM 0 H THR A 102 -12.623 -1.832 1.230 1.00 53.32 H new ATOM 0 HA THR A 102 -11.629 0.546 2.448 1.00 43.52 H new ATOM 0 HB THR A 102 -12.837 -1.992 3.615 1.00 24.35 H new ATOM 0 HG1 THR A 102 -14.692 -0.464 3.823 1.00 52.21 H new ATOM 0 HG21 THR A 102 -13.261 -0.639 5.634 1.00 14.52 H new ATOM 0 HG22 THR A 102 -11.520 -0.794 5.300 1.00 14.52 H new ATOM 0 HG23 THR A 102 -12.370 0.719 4.906 1.00 14.52 H new ATOM 1456 N LYS A 103 -10.084 -2.324 3.023 1.00 42.03 N ATOM 1457 CA LYS A 103 -8.842 -2.914 3.510 1.00 55.23 C ATOM 1458 C LYS A 103 -7.662 -2.491 2.641 1.00 21.13 C ATOM 1459 O LYS A 103 -6.553 -2.296 3.138 1.00 40.52 O ATOM 1460 CB LYS A 103 -8.953 -4.440 3.531 1.00 21.00 C ATOM 1461 CG LYS A 103 -9.327 -5.042 2.187 1.00 10.44 C ATOM 1462 CD LYS A 103 -8.095 -5.385 1.368 1.00 44.35 C ATOM 1463 CE LYS A 103 -7.711 -6.848 1.523 1.00 31.34 C ATOM 1464 NZ LYS A 103 -8.353 -7.703 0.487 1.00 71.32 N ATOM 0 H LYS A 103 -10.737 -2.993 2.615 1.00 42.03 H new ATOM 0 HA LYS A 103 -8.671 -2.554 4.525 1.00 55.23 H new ATOM 0 HB2 LYS A 103 -8.001 -4.861 3.856 1.00 21.00 H new ATOM 0 HB3 LYS A 103 -9.699 -4.731 4.270 1.00 21.00 H new ATOM 0 HG2 LYS A 103 -9.923 -5.941 2.343 1.00 10.44 H new ATOM 0 HG3 LYS A 103 -9.949 -4.339 1.633 1.00 10.44 H new ATOM 0 HD2 LYS A 103 -8.284 -5.167 0.317 1.00 44.35 H new ATOM 0 HD3 LYS A 103 -7.262 -4.754 1.680 1.00 44.35 H new ATOM 0 HE2 LYS A 103 -6.628 -6.948 1.456 1.00 31.34 H new ATOM 0 HE3 LYS A 103 -8.003 -7.197 2.514 1.00 31.34 H new ATOM 0 HZ1 LYS A 103 -8.066 -8.693 0.627 1.00 71.32 H new ATOM 0 HZ2 LYS A 103 -9.387 -7.628 0.567 1.00 71.32 H new ATOM 0 HZ3 LYS A 103 -8.055 -7.387 -0.458 1.00 71.32 H new ATOM 1478 N MET A 104 -7.908 -2.351 1.343 1.00 54.21 N ATOM 1479 CA MET A 104 -6.865 -1.948 0.407 1.00 74.35 C ATOM 1480 C MET A 104 -6.505 -0.478 0.594 1.00 64.13 C ATOM 1481 O MET A 104 -5.328 -0.123 0.678 1.00 51.01 O ATOM 1482 CB MET A 104 -7.320 -2.195 -1.033 1.00 52.43 C ATOM 1483 CG MET A 104 -7.197 -3.645 -1.470 1.00 21.41 C ATOM 1484 SD MET A 104 -6.066 -3.859 -2.858 1.00 74.22 S ATOM 1485 CE MET A 104 -5.216 -5.359 -2.374 1.00 62.42 C ATOM 0 H MET A 104 -8.820 -2.511 0.915 1.00 54.21 H new ATOM 0 HA MET A 104 -5.978 -2.549 0.609 1.00 74.35 H new ATOM 0 HB2 MET A 104 -8.358 -1.880 -1.136 1.00 52.43 H new ATOM 0 HB3 MET A 104 -6.730 -1.571 -1.704 1.00 52.43 H new ATOM 0 HG2 MET A 104 -6.851 -4.246 -0.629 1.00 21.41 H new ATOM 0 HG3 MET A 104 -8.182 -4.022 -1.747 1.00 21.41 H new ATOM 0 HE1 MET A 104 -4.481 -5.622 -3.135 1.00 62.42 H new ATOM 0 HE2 MET A 104 -4.711 -5.200 -1.421 1.00 62.42 H new ATOM 0 HE3 MET A 104 -5.938 -6.169 -2.271 1.00 62.42 H new ATOM 1495 N LEU A 105 -7.523 0.373 0.658 1.00 62.32 N ATOM 1496 CA LEU A 105 -7.313 1.805 0.835 1.00 44.41 C ATOM 1497 C LEU A 105 -6.495 2.085 2.092 1.00 30.40 C ATOM 1498 O LEU A 105 -5.750 3.063 2.156 1.00 61.33 O ATOM 1499 CB LEU A 105 -8.656 2.532 0.915 1.00 74.11 C ATOM 1500 CG LEU A 105 -9.338 2.831 -0.421 1.00 10.44 C ATOM 1501 CD1 LEU A 105 -10.799 3.195 -0.205 1.00 21.33 C ATOM 1502 CD2 LEU A 105 -8.611 3.950 -1.152 1.00 3.54 C ATOM 0 H LEU A 105 -8.502 0.096 0.590 1.00 62.32 H new ATOM 0 HA LEU A 105 -6.758 2.174 -0.027 1.00 44.41 H new ATOM 0 HB2 LEU A 105 -9.335 1.933 1.521 1.00 74.11 H new ATOM 0 HB3 LEU A 105 -8.506 3.474 1.442 1.00 74.11 H new ATOM 0 HG LEU A 105 -9.296 1.933 -1.038 1.00 10.44 H new ATOM 0 HD11 LEU A 105 -11.268 3.404 -1.167 1.00 21.33 H new ATOM 0 HD12 LEU A 105 -11.314 2.363 0.276 1.00 21.33 H new ATOM 0 HD13 LEU A 105 -10.864 4.078 0.430 1.00 21.33 H new ATOM 0 HD21 LEU A 105 -9.110 4.149 -2.100 1.00 3.54 H new ATOM 0 HD22 LEU A 105 -8.622 4.852 -0.540 1.00 3.54 H new ATOM 0 HD23 LEU A 105 -7.580 3.652 -1.340 1.00 3.54 H new ATOM 1514 N TYR A 106 -6.638 1.218 3.089 1.00 50.33 N ATOM 1515 CA TYR A 106 -5.913 1.371 4.344 1.00 10.55 C ATOM 1516 C TYR A 106 -4.406 1.371 4.107 1.00 40.10 C ATOM 1517 O TYR A 106 -3.656 2.054 4.804 1.00 11.41 O ATOM 1518 CB TYR A 106 -6.288 0.250 5.314 1.00 30.33 C ATOM 1519 CG TYR A 106 -5.433 0.216 6.561 1.00 70.11 C ATOM 1520 CD1 TYR A 106 -5.524 1.221 7.516 1.00 24.23 C ATOM 1521 CD2 TYR A 106 -4.534 -0.820 6.783 1.00 51.20 C ATOM 1522 CE1 TYR A 106 -4.744 1.195 8.657 1.00 60.34 C ATOM 1523 CE2 TYR A 106 -3.752 -0.855 7.921 1.00 43.11 C ATOM 1524 CZ TYR A 106 -3.860 0.155 8.854 1.00 20.45 C ATOM 1525 OH TYR A 106 -3.081 0.124 9.989 1.00 73.04 O ATOM 0 H TYR A 106 -7.249 0.402 3.052 1.00 50.33 H new ATOM 0 HA TYR A 106 -6.193 2.329 4.781 1.00 10.55 H new ATOM 0 HB2 TYR A 106 -7.333 0.366 5.603 1.00 30.33 H new ATOM 0 HB3 TYR A 106 -6.204 -0.707 4.800 1.00 30.33 H new ATOM 0 HD1 TYR A 106 -6.216 2.036 7.364 1.00 24.23 H new ATOM 0 HD2 TYR A 106 -4.445 -1.611 6.053 1.00 51.20 H new ATOM 0 HE1 TYR A 106 -4.826 1.984 9.390 1.00 60.34 H new ATOM 0 HE2 TYR A 106 -3.060 -1.669 8.079 1.00 43.11 H new ATOM 0 HH TYR A 106 -3.278 0.908 10.543 1.00 73.04 H new ATOM 1535 N SER A 107 -3.970 0.599 3.117 1.00 42.13 N ATOM 1536 CA SER A 107 -2.552 0.506 2.788 1.00 73.04 C ATOM 1537 C SER A 107 -2.183 1.499 1.690 1.00 0.42 C ATOM 1538 O SER A 107 -1.071 2.027 1.664 1.00 53.31 O ATOM 1539 CB SER A 107 -2.203 -0.916 2.343 1.00 5.53 C ATOM 1540 OG SER A 107 -1.088 -1.415 3.062 1.00 33.03 O ATOM 0 H SER A 107 -4.578 0.029 2.529 1.00 42.13 H new ATOM 0 HA SER A 107 -1.980 0.751 3.683 1.00 73.04 H new ATOM 0 HB2 SER A 107 -3.061 -1.570 2.497 1.00 5.53 H new ATOM 0 HB3 SER A 107 -1.984 -0.923 1.275 1.00 5.53 H new ATOM 0 HG SER A 107 -0.886 -2.325 2.761 1.00 33.03 H new ATOM 1546 N SER A 108 -3.124 1.749 0.785 1.00 32.04 N ATOM 1547 CA SER A 108 -2.898 2.676 -0.317 1.00 61.24 C ATOM 1548 C SER A 108 -2.753 4.105 0.196 1.00 45.34 C ATOM 1549 O SER A 108 -1.885 4.853 -0.256 1.00 14.31 O ATOM 1550 CB SER A 108 -4.049 2.597 -1.322 1.00 50.00 C ATOM 1551 OG SER A 108 -3.735 1.720 -2.390 1.00 21.12 O ATOM 0 H SER A 108 -4.050 1.322 0.794 1.00 32.04 H new ATOM 0 HA SER A 108 -1.971 2.391 -0.814 1.00 61.24 H new ATOM 0 HB2 SER A 108 -4.952 2.253 -0.818 1.00 50.00 H new ATOM 0 HB3 SER A 108 -4.262 3.591 -1.715 1.00 50.00 H new ATOM 0 HG SER A 108 -4.487 1.686 -3.017 1.00 21.12 H new ATOM 1557 N SER A 109 -3.608 4.478 1.142 1.00 32.51 N ATOM 1558 CA SER A 109 -3.579 5.818 1.715 1.00 43.21 C ATOM 1559 C SER A 109 -2.544 5.909 2.833 1.00 74.23 C ATOM 1560 O SER A 109 -2.137 7.001 3.229 1.00 23.21 O ATOM 1561 CB SER A 109 -4.961 6.197 2.251 1.00 5.13 C ATOM 1562 OG SER A 109 -5.034 7.583 2.539 1.00 63.23 O ATOM 0 H SER A 109 -4.330 3.870 1.528 1.00 32.51 H new ATOM 0 HA SER A 109 -3.299 6.517 0.927 1.00 43.21 H new ATOM 0 HB2 SER A 109 -5.723 5.934 1.518 1.00 5.13 H new ATOM 0 HB3 SER A 109 -5.175 5.623 3.153 1.00 5.13 H new ATOM 0 HG SER A 109 -4.326 8.056 2.054 1.00 63.23 H new ATOM 1568 N ARG A 110 -2.124 4.753 3.337 1.00 53.13 N ATOM 1569 CA ARG A 110 -1.139 4.701 4.410 1.00 63.43 C ATOM 1570 C ARG A 110 0.188 5.304 3.959 1.00 42.40 C ATOM 1571 O ARG A 110 0.859 5.997 4.725 1.00 33.31 O ATOM 1572 CB ARG A 110 -0.925 3.256 4.865 1.00 73.22 C ATOM 1573 CG ARG A 110 -1.336 3.005 6.307 1.00 65.54 C ATOM 1574 CD ARG A 110 -0.124 2.823 7.207 1.00 4.21 C ATOM 1575 NE ARG A 110 -0.359 1.824 8.246 1.00 5.55 N ATOM 1576 CZ ARG A 110 -0.258 0.516 8.044 1.00 25.52 C ATOM 1577 NH1 ARG A 110 0.073 0.050 6.848 1.00 72.24 N ATOM 1578 NH2 ARG A 110 -0.487 -0.331 9.040 1.00 3.44 N ATOM 0 H ARG A 110 -2.451 3.840 3.019 1.00 53.13 H new ATOM 0 HA ARG A 110 -1.519 5.286 5.247 1.00 63.43 H new ATOM 0 HB2 ARG A 110 -1.492 2.591 4.213 1.00 73.22 H new ATOM 0 HB3 ARG A 110 0.127 2.998 4.746 1.00 73.22 H new ATOM 0 HG2 ARG A 110 -1.936 3.841 6.667 1.00 65.54 H new ATOM 0 HG3 ARG A 110 -1.965 2.116 6.358 1.00 65.54 H new ATOM 0 HD2 ARG A 110 0.734 2.524 6.604 1.00 4.21 H new ATOM 0 HD3 ARG A 110 0.129 3.776 7.671 1.00 4.21 H new ATOM 0 HE ARG A 110 -0.615 2.149 9.178 1.00 5.55 H new ATOM 0 HH11 ARG A 110 0.251 0.697 6.080 1.00 72.24 H new ATOM 0 HH12 ARG A 110 0.150 -0.956 6.696 1.00 72.24 H new ATOM 0 HH21 ARG A 110 -0.741 0.023 9.962 1.00 3.44 H new ATOM 0 HH22 ARG A 110 -0.409 -1.336 8.883 1.00 3.44 H new ATOM 1592 N ASP A 111 0.561 5.037 2.712 1.00 32.13 N ATOM 1593 CA ASP A 111 1.807 5.554 2.159 1.00 0.00 C ATOM 1594 C ASP A 111 1.800 7.079 2.136 1.00 54.34 C ATOM 1595 O ASP A 111 2.802 7.720 2.452 1.00 72.41 O ATOM 1596 CB ASP A 111 2.027 5.011 0.746 1.00 32.02 C ATOM 1597 CG ASP A 111 3.422 5.298 0.226 1.00 14.01 C ATOM 1598 OD1 ASP A 111 3.777 6.489 0.110 1.00 45.22 O ATOM 1599 OD2 ASP A 111 4.157 4.331 -0.066 1.00 0.54 O ATOM 0 H ASP A 111 0.018 4.465 2.065 1.00 32.13 H new ATOM 0 HA ASP A 111 2.625 5.222 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 111 1.856 3.935 0.743 1.00 32.02 H new ATOM 0 HB3 ASP A 111 1.293 5.453 0.072 1.00 32.02 H new ATOM 1604 N ALA A 112 0.663 7.655 1.758 1.00 72.31 N ATOM 1605 CA ALA A 112 0.525 9.104 1.694 1.00 13.40 C ATOM 1606 C ALA A 112 0.285 9.695 3.080 1.00 71.45 C ATOM 1607 O ALA A 112 0.620 10.851 3.339 1.00 14.14 O ATOM 1608 CB ALA A 112 -0.608 9.486 0.753 1.00 71.35 C ATOM 0 H ALA A 112 -0.176 7.139 1.492 1.00 72.31 H new ATOM 0 HA ALA A 112 1.458 9.515 1.308 1.00 13.40 H new ATOM 0 HB1 ALA A 112 -0.699 10.572 0.715 1.00 71.35 H new ATOM 0 HB2 ALA A 112 -0.396 9.105 -0.246 1.00 71.35 H new ATOM 0 HB3 ALA A 112 -1.542 9.056 1.115 1.00 71.35 H new ATOM 1614 N LEU A 113 -0.297 8.894 3.966 1.00 40.13 N ATOM 1615 CA LEU A 113 -0.582 9.338 5.326 1.00 75.42 C ATOM 1616 C LEU A 113 0.644 9.180 6.219 1.00 42.23 C ATOM 1617 O LEU A 113 0.708 9.747 7.310 1.00 72.22 O ATOM 1618 CB LEU A 113 -1.755 8.545 5.906 1.00 0.12 C ATOM 1619 CG LEU A 113 -3.137 9.179 5.749 1.00 53.51 C ATOM 1620 CD1 LEU A 113 -4.175 8.121 5.408 1.00 43.14 C ATOM 1621 CD2 LEU A 113 -3.530 9.924 7.017 1.00 43.34 C ATOM 0 H LEU A 113 -0.581 7.935 3.767 1.00 40.13 H new ATOM 0 HA LEU A 113 -0.847 10.395 5.289 1.00 75.42 H new ATOM 0 HB2 LEU A 113 -1.772 7.563 5.434 1.00 0.12 H new ATOM 0 HB3 LEU A 113 -1.569 8.385 6.968 1.00 0.12 H new ATOM 0 HG LEU A 113 -3.095 9.895 4.928 1.00 53.51 H new ATOM 0 HD11 LEU A 113 -5.152 8.592 5.300 1.00 43.14 H new ATOM 0 HD12 LEU A 113 -3.903 7.632 4.473 1.00 43.14 H new ATOM 0 HD13 LEU A 113 -4.215 7.380 6.206 1.00 43.14 H new ATOM 0 HD21 LEU A 113 -4.517 10.369 6.887 1.00 43.34 H new ATOM 0 HD22 LEU A 113 -3.554 9.228 7.855 1.00 43.34 H new ATOM 0 HD23 LEU A 113 -2.802 10.710 7.218 1.00 43.34 H new ATOM 1633 N VAL A 114 1.618 8.408 5.747 1.00 41.31 N ATOM 1634 CA VAL A 114 2.845 8.179 6.501 1.00 71.14 C ATOM 1635 C VAL A 114 3.594 9.485 6.742 1.00 70.41 C ATOM 1636 O VAL A 114 3.900 9.853 7.876 1.00 13.41 O ATOM 1637 CB VAL A 114 3.776 7.193 5.771 1.00 61.14 C ATOM 1638 CG1 VAL A 114 5.232 7.493 6.095 1.00 54.34 C ATOM 1639 CG2 VAL A 114 3.425 5.759 6.136 1.00 31.35 C ATOM 0 H VAL A 114 1.581 7.931 4.846 1.00 41.31 H new ATOM 0 HA VAL A 114 2.552 7.750 7.459 1.00 71.14 H new ATOM 0 HB VAL A 114 3.635 7.315 4.697 1.00 61.14 H new ATOM 0 HG11 VAL A 114 5.875 6.786 5.570 1.00 54.34 H new ATOM 0 HG12 VAL A 114 5.474 8.508 5.778 1.00 54.34 H new ATOM 0 HG13 VAL A 114 5.392 7.401 7.169 1.00 54.34 H new ATOM 0 HG21 VAL A 114 4.093 5.076 5.611 1.00 31.35 H new ATOM 0 HG22 VAL A 114 3.536 5.620 7.211 1.00 31.35 H new ATOM 0 HG23 VAL A 114 2.394 5.552 5.848 1.00 31.35 H new ATOM 1649 N PRO A 115 3.897 10.203 5.651 1.00 65.14 N ATOM 1650 CA PRO A 115 4.614 11.480 5.718 1.00 51.15 C ATOM 1651 C PRO A 115 3.766 12.589 6.332 1.00 61.15 C ATOM 1652 O PRO A 115 4.282 13.468 7.023 1.00 52.43 O ATOM 1653 CB PRO A 115 4.921 11.792 4.251 1.00 60.23 C ATOM 1654 CG PRO A 115 3.869 11.069 3.482 1.00 45.24 C ATOM 1655 CD PRO A 115 3.564 9.824 4.267 1.00 20.12 C ATOM 0 HA PRO A 115 5.500 11.417 6.349 1.00 51.15 H new ATOM 0 HB2 PRO A 115 4.886 12.864 4.058 1.00 60.23 H new ATOM 0 HB3 PRO A 115 5.919 11.451 3.974 1.00 60.23 H new ATOM 0 HG2 PRO A 115 2.977 11.685 3.366 1.00 45.24 H new ATOM 0 HG3 PRO A 115 4.219 10.822 2.479 1.00 45.24 H new ATOM 0 HD2 PRO A 115 2.518 9.534 4.170 1.00 20.12 H new ATOM 0 HD3 PRO A 115 4.162 8.978 3.927 1.00 20.12 H new ATOM 1663 N LEU A 116 2.463 12.541 6.076 1.00 44.51 N ATOM 1664 CA LEU A 116 1.543 13.542 6.604 1.00 0.44 C ATOM 1665 C LEU A 116 1.373 13.384 8.112 1.00 70.31 C ATOM 1666 O LEU A 116 1.464 14.355 8.864 1.00 31.41 O ATOM 1667 CB LEU A 116 0.184 13.430 5.912 1.00 52.23 C ATOM 1668 CG LEU A 116 -0.330 14.700 5.232 1.00 30.01 C ATOM 1669 CD1 LEU A 116 -0.301 15.872 6.200 1.00 14.53 C ATOM 1670 CD2 LEU A 116 0.493 15.011 3.991 1.00 61.14 C ATOM 0 H LEU A 116 2.020 11.820 5.506 1.00 44.51 H new ATOM 0 HA LEU A 116 1.965 14.527 6.406 1.00 0.44 H new ATOM 0 HB2 LEU A 116 0.244 12.640 5.163 1.00 52.23 H new ATOM 0 HB3 LEU A 116 -0.552 13.114 6.651 1.00 52.23 H new ATOM 0 HG LEU A 116 -1.363 14.533 4.926 1.00 30.01 H new ATOM 0 HD11 LEU A 116 -0.670 16.767 5.699 1.00 14.53 H new ATOM 0 HD12 LEU A 116 -0.934 15.650 7.059 1.00 14.53 H new ATOM 0 HD13 LEU A 116 0.722 16.041 6.537 1.00 14.53 H new ATOM 0 HD21 LEU A 116 0.113 15.918 3.520 1.00 61.14 H new ATOM 0 HD22 LEU A 116 1.535 15.158 4.273 1.00 61.14 H new ATOM 0 HD23 LEU A 116 0.421 14.180 3.289 1.00 61.14 H new ATOM 1682 N THR A 117 1.127 12.152 8.548 1.00 3.12 N ATOM 1683 CA THR A 117 0.946 11.865 9.966 1.00 53.44 C ATOM 1684 C THR A 117 2.165 11.157 10.544 1.00 44.30 C ATOM 1685 O THR A 117 2.036 10.162 11.255 1.00 21.54 O ATOM 1686 CB THR A 117 -0.302 10.995 10.207 1.00 22.13 C ATOM 1687 OG1 THR A 117 -0.048 9.649 9.791 1.00 60.43 O ATOM 1688 CG2 THR A 117 -1.502 11.547 9.452 1.00 4.15 C ATOM 0 H THR A 117 1.049 11.337 7.939 1.00 3.12 H new ATOM 0 HA THR A 117 0.815 12.823 10.469 1.00 53.44 H new ATOM 0 HB THR A 117 -0.527 11.009 11.273 1.00 22.13 H new ATOM 0 HG1 THR A 117 0.005 9.613 8.813 1.00 60.43 H new ATOM 0 HG21 THR A 117 -2.371 10.916 9.638 1.00 4.15 H new ATOM 0 HG22 THR A 117 -1.711 12.561 9.792 1.00 4.15 H new ATOM 0 HG23 THR A 117 -1.285 11.560 8.384 1.00 4.15 H new ATOM 1696 N GLN A 118 3.348 11.678 10.234 1.00 4.03 N ATOM 1697 CA GLN A 118 4.591 11.094 10.724 1.00 4.24 C ATOM 1698 C GLN A 118 4.884 11.554 12.149 1.00 61.51 C ATOM 1699 O GLN A 118 4.803 12.742 12.458 1.00 71.42 O ATOM 1700 CB GLN A 118 5.754 11.472 9.805 1.00 22.20 C ATOM 1701 CG GLN A 118 6.155 12.935 9.901 1.00 24.12 C ATOM 1702 CD GLN A 118 7.135 13.344 8.819 1.00 71.22 C ATOM 1703 OE1 GLN A 118 7.446 12.562 7.919 1.00 13.43 O ATOM 1704 NE2 GLN A 118 7.627 14.574 8.900 1.00 44.31 N ATOM 0 H GLN A 118 3.472 12.503 9.646 1.00 4.03 H new ATOM 0 HA GLN A 118 4.477 10.010 10.727 1.00 4.24 H new ATOM 0 HB2 GLN A 118 6.616 10.851 10.049 1.00 22.20 H new ATOM 0 HB3 GLN A 118 5.480 11.246 8.774 1.00 22.20 H new ATOM 0 HG2 GLN A 118 5.263 13.558 9.832 1.00 24.12 H new ATOM 0 HG3 GLN A 118 6.600 13.122 10.878 1.00 24.12 H new ATOM 0 HE21 GLN A 118 7.342 15.188 9.663 1.00 44.31 H new ATOM 0 HE22 GLN A 118 8.290 14.905 8.200 1.00 44.31 H new ATOM 1713 N GLY A 119 5.225 10.603 13.014 1.00 72.10 N ATOM 1714 CA GLY A 119 5.524 10.930 14.396 1.00 52.11 C ATOM 1715 C GLY A 119 4.377 10.601 15.331 1.00 51.32 C ATOM 1716 O GLY A 119 4.369 11.022 16.488 1.00 43.12 O ATOM 0 H GLY A 119 5.299 9.612 12.782 1.00 72.10 H new ATOM 0 HA2 GLY A 119 6.413 10.384 14.711 1.00 52.11 H new ATOM 0 HA3 GLY A 119 5.758 11.992 14.472 1.00 52.11 H new ATOM 1720 N PHE A 120 3.404 9.848 14.829 1.00 53.32 N ATOM 1721 CA PHE A 120 2.245 9.466 15.627 1.00 75.55 C ATOM 1722 C PHE A 120 2.022 7.957 15.573 1.00 20.15 C ATOM 1723 O PHE A 120 2.395 7.299 14.603 1.00 72.51 O ATOM 1724 CB PHE A 120 0.994 10.195 15.130 1.00 21.43 C ATOM 1725 CG PHE A 120 1.214 11.659 14.878 1.00 23.24 C ATOM 1726 CD1 PHE A 120 1.908 12.436 15.792 1.00 31.12 C ATOM 1727 CD2 PHE A 120 0.728 12.258 13.728 1.00 43.14 C ATOM 1728 CE1 PHE A 120 2.111 13.784 15.563 1.00 61.40 C ATOM 1729 CE2 PHE A 120 0.929 13.605 13.493 1.00 52.43 C ATOM 1730 CZ PHE A 120 1.622 14.369 14.411 1.00 21.24 C ATOM 0 H PHE A 120 3.395 9.490 13.874 1.00 53.32 H new ATOM 0 HA PHE A 120 2.437 9.751 16.661 1.00 75.55 H new ATOM 0 HB2 PHE A 120 0.650 9.724 14.209 1.00 21.43 H new ATOM 0 HB3 PHE A 120 0.198 10.077 15.865 1.00 21.43 H new ATOM 0 HD1 PHE A 120 2.294 11.983 16.693 1.00 31.12 H new ATOM 0 HD2 PHE A 120 0.185 11.666 13.006 1.00 43.14 H new ATOM 0 HE1 PHE A 120 2.651 14.379 16.284 1.00 61.40 H new ATOM 0 HE2 PHE A 120 0.544 14.060 12.592 1.00 52.43 H new ATOM 0 HZ PHE A 120 1.781 15.422 14.229 1.00 21.24 H new ATOM 1740 N GLN A 121 1.413 7.417 16.624 1.00 14.32 N ATOM 1741 CA GLN A 121 1.142 5.987 16.698 1.00 33.50 C ATOM 1742 C GLN A 121 -0.124 5.632 15.925 1.00 35.35 C ATOM 1743 O GLN A 121 -1.229 6.005 16.319 1.00 42.14 O ATOM 1744 CB GLN A 121 1.003 5.547 18.157 1.00 65.24 C ATOM 1745 CG GLN A 121 2.192 5.931 19.023 1.00 62.40 C ATOM 1746 CD GLN A 121 3.437 5.129 18.695 1.00 55.33 C ATOM 1747 OE1 GLN A 121 3.352 3.989 18.239 1.00 60.41 O ATOM 1748 NE2 GLN A 121 4.601 5.724 18.925 1.00 25.41 N ATOM 0 H GLN A 121 1.098 7.949 17.436 1.00 14.32 H new ATOM 0 HA GLN A 121 1.982 5.460 16.245 1.00 33.50 H new ATOM 0 HB2 GLN A 121 0.100 5.990 18.577 1.00 65.24 H new ATOM 0 HB3 GLN A 121 0.873 4.465 18.191 1.00 65.24 H new ATOM 0 HG2 GLN A 121 2.404 6.992 18.893 1.00 62.40 H new ATOM 0 HG3 GLN A 121 1.935 5.783 20.072 1.00 62.40 H new ATOM 0 HE21 GLN A 121 4.624 6.671 19.304 1.00 25.41 H new ATOM 0 HE22 GLN A 121 5.473 5.235 18.723 1.00 25.41 H new ATOM 1757 N GLY A 122 0.044 4.908 14.823 1.00 70.12 N ATOM 1758 CA GLY A 122 -1.094 4.515 14.012 1.00 1.32 C ATOM 1759 C GLY A 122 -1.480 3.064 14.219 1.00 11.22 C ATOM 1760 O GLY A 122 -0.676 2.162 13.983 1.00 34.54 O ATOM 0 H GLY A 122 0.948 4.586 14.477 1.00 70.12 H new ATOM 0 HA2 GLY A 122 -1.945 5.152 14.253 1.00 1.32 H new ATOM 0 HA3 GLY A 122 -0.861 4.679 12.960 1.00 1.32 H new ATOM 1764 N ILE A 123 -2.712 2.839 14.662 1.00 13.04 N ATOM 1765 CA ILE A 123 -3.202 1.487 14.902 1.00 55.33 C ATOM 1766 C ILE A 123 -4.570 1.277 14.260 1.00 64.32 C ATOM 1767 O ILE A 123 -5.433 2.151 14.316 1.00 53.50 O ATOM 1768 CB ILE A 123 -3.303 1.183 16.408 1.00 2.21 C ATOM 1769 CG1 ILE A 123 -1.979 1.504 17.105 1.00 42.23 C ATOM 1770 CG2 ILE A 123 -3.685 -0.272 16.630 1.00 31.53 C ATOM 1771 CD1 ILE A 123 -2.018 2.777 17.921 1.00 55.34 C ATOM 0 H ILE A 123 -3.389 3.575 14.862 1.00 13.04 H new ATOM 0 HA ILE A 123 -2.481 0.805 14.450 1.00 55.33 H new ATOM 0 HB ILE A 123 -4.081 1.813 16.839 1.00 2.21 H new ATOM 0 HG12 ILE A 123 -1.710 0.673 17.757 1.00 42.23 H new ATOM 0 HG13 ILE A 123 -1.193 1.587 16.354 1.00 42.23 H new ATOM 0 HG21 ILE A 123 -3.752 -0.471 17.699 1.00 31.53 H new ATOM 0 HG22 ILE A 123 -4.649 -0.470 16.162 1.00 31.53 H new ATOM 0 HG23 ILE A 123 -2.927 -0.919 16.187 1.00 31.53 H new ATOM 0 HD11 ILE A 123 -1.046 2.941 18.386 1.00 55.34 H new ATOM 0 HD12 ILE A 123 -2.256 3.619 17.271 1.00 55.34 H new ATOM 0 HD13 ILE A 123 -2.780 2.690 18.695 1.00 55.34 H new ATOM 1783 N GLN A 124 -4.758 0.110 13.652 1.00 34.21 N ATOM 1784 CA GLN A 124 -6.022 -0.216 13.001 1.00 45.04 C ATOM 1785 C GLN A 124 -6.772 -1.294 13.776 1.00 63.02 C ATOM 1786 O GLN A 124 -6.269 -2.401 13.963 1.00 64.42 O ATOM 1787 CB GLN A 124 -5.774 -0.683 11.565 1.00 3.40 C ATOM 1788 CG GLN A 124 -4.883 -1.911 11.470 1.00 43.53 C ATOM 1789 CD GLN A 124 -5.669 -3.186 11.237 1.00 51.52 C ATOM 1790 OE1 GLN A 124 -6.897 -3.198 11.333 1.00 4.13 O ATOM 1791 NE2 GLN A 124 -4.965 -4.268 10.928 1.00 44.11 N ATOM 0 H GLN A 124 -4.052 -0.625 13.597 1.00 34.21 H new ATOM 0 HA GLN A 124 -6.635 0.685 12.983 1.00 45.04 H new ATOM 0 HB2 GLN A 124 -6.732 -0.902 11.092 1.00 3.40 H new ATOM 0 HB3 GLN A 124 -5.318 0.131 11.001 1.00 3.40 H new ATOM 0 HG2 GLN A 124 -4.169 -1.775 10.658 1.00 43.53 H new ATOM 0 HG3 GLN A 124 -4.305 -2.008 12.389 1.00 43.53 H new ATOM 0 HE21 GLN A 124 -3.949 -4.213 10.859 1.00 44.11 H new ATOM 0 HE22 GLN A 124 -5.440 -5.155 10.759 1.00 44.11 H new ATOM 1800 N ALA A 125 -7.978 -0.962 14.225 1.00 4.10 N ATOM 1801 CA ALA A 125 -8.798 -1.902 14.979 1.00 63.24 C ATOM 1802 C ALA A 125 -10.281 -1.677 14.707 1.00 73.00 C ATOM 1803 O ALA A 125 -10.742 -0.539 14.632 1.00 14.05 O ATOM 1804 CB ALA A 125 -8.507 -1.781 16.467 1.00 14.52 C ATOM 0 H ALA A 125 -8.409 -0.049 14.080 1.00 4.10 H new ATOM 0 HA ALA A 125 -8.545 -2.911 14.652 1.00 63.24 H new ATOM 0 HB1 ALA A 125 -9.127 -2.489 17.018 1.00 14.52 H new ATOM 0 HB2 ALA A 125 -7.455 -2.000 16.651 1.00 14.52 H new ATOM 0 HB3 ALA A 125 -8.731 -0.768 16.800 1.00 14.52 H new ATOM 1810 N ASN A 126 -11.024 -2.770 14.559 1.00 5.41 N ATOM 1811 CA ASN A 126 -12.455 -2.691 14.294 1.00 15.41 C ATOM 1812 C ASN A 126 -13.257 -2.859 15.581 1.00 20.43 C ATOM 1813 O ASN A 126 -12.773 -3.436 16.555 1.00 23.41 O ATOM 1814 CB ASN A 126 -12.867 -3.760 13.280 1.00 53.42 C ATOM 1815 CG ASN A 126 -12.933 -5.145 13.894 1.00 40.40 C ATOM 1816 OD1 ASN A 126 -12.083 -5.518 14.702 1.00 22.32 O ATOM 1817 ND2 ASN A 126 -13.946 -5.914 13.512 1.00 41.42 N ATOM 0 H ASN A 126 -10.658 -3.720 14.618 1.00 5.41 H new ATOM 0 HA ASN A 126 -12.668 -1.706 13.880 1.00 15.41 H new ATOM 0 HB2 ASN A 126 -13.841 -3.504 12.862 1.00 53.42 H new ATOM 0 HB3 ASN A 126 -12.157 -3.766 12.453 1.00 53.42 H new ATOM 0 HD21 ASN A 126 -14.043 -6.856 13.891 1.00 41.42 H new ATOM 0 HD22 ASN A 126 -14.627 -5.563 12.839 1.00 41.42 H new ATOM 1824 N ASP A 127 -14.485 -2.353 15.578 1.00 40.33 N ATOM 1825 CA ASP A 127 -15.355 -2.449 16.744 1.00 11.51 C ATOM 1826 C ASP A 127 -14.780 -1.661 17.917 1.00 12.40 C ATOM 1827 O ASP A 127 -13.927 -0.793 17.736 1.00 42.33 O ATOM 1828 CB ASP A 127 -15.549 -3.912 17.143 1.00 34.21 C ATOM 1829 CG ASP A 127 -16.976 -4.214 17.559 1.00 25.35 C ATOM 1830 OD1 ASP A 127 -17.431 -3.646 18.575 1.00 64.24 O ATOM 1831 OD2 ASP A 127 -17.637 -5.018 16.870 1.00 61.01 O ATOM 0 H ASP A 127 -14.901 -1.872 14.780 1.00 40.33 H new ATOM 0 HA ASP A 127 -16.322 -2.021 16.481 1.00 11.51 H new ATOM 0 HB2 ASP A 127 -15.274 -4.554 16.306 1.00 34.21 H new ATOM 0 HB3 ASP A 127 -14.875 -4.154 17.965 1.00 34.21 H new ATOM 1836 N ALA A 128 -15.255 -1.969 19.120 1.00 43.24 N ATOM 1837 CA ALA A 128 -14.787 -1.290 20.322 1.00 34.41 C ATOM 1838 C ALA A 128 -13.266 -1.329 20.418 1.00 20.21 C ATOM 1839 O ALA A 128 -12.651 -0.462 21.039 1.00 54.35 O ATOM 1840 CB ALA A 128 -15.412 -1.918 21.559 1.00 74.50 C ATOM 0 H ALA A 128 -15.963 -2.684 19.288 1.00 43.24 H new ATOM 0 HA ALA A 128 -15.094 -0.246 20.263 1.00 34.41 H new ATOM 0 HB1 ALA A 128 -15.054 -1.402 22.450 1.00 74.50 H new ATOM 0 HB2 ALA A 128 -16.497 -1.833 21.502 1.00 74.50 H new ATOM 0 HB3 ALA A 128 -15.133 -2.970 21.613 1.00 74.50 H new ATOM 1846 N SER A 129 -12.664 -2.341 19.801 1.00 52.12 N ATOM 1847 CA SER A 129 -11.214 -2.495 19.821 1.00 73.02 C ATOM 1848 C SER A 129 -10.531 -1.285 19.190 1.00 23.45 C ATOM 1849 O SER A 129 -9.364 -1.006 19.463 1.00 51.41 O ATOM 1850 CB SER A 129 -10.805 -3.770 19.080 1.00 55.41 C ATOM 1851 OG SER A 129 -11.505 -4.896 19.580 1.00 63.45 O ATOM 0 H SER A 129 -13.158 -3.066 19.281 1.00 52.12 H new ATOM 0 HA SER A 129 -10.895 -2.570 20.861 1.00 73.02 H new ATOM 0 HB2 SER A 129 -11.006 -3.656 18.015 1.00 55.41 H new ATOM 0 HB3 SER A 129 -9.732 -3.928 19.186 1.00 55.41 H new ATOM 0 HG SER A 129 -11.228 -5.698 19.090 1.00 63.45 H new ATOM 1857 N GLY A 130 -11.267 -0.571 18.345 1.00 14.10 N ATOM 1858 CA GLY A 130 -10.717 0.600 17.688 1.00 2.33 C ATOM 1859 C GLY A 130 -11.257 1.895 18.263 1.00 72.24 C ATOM 1860 O GLY A 130 -11.595 2.819 17.521 1.00 25.31 O ATOM 0 H GLY A 130 -12.235 -0.783 18.103 1.00 14.10 H new ATOM 0 HA2 GLY A 130 -9.631 0.589 17.782 1.00 2.33 H new ATOM 0 HA3 GLY A 130 -10.945 0.556 16.623 1.00 2.33 H new ATOM 1864 N LEU A 131 -11.342 1.963 19.587 1.00 64.14 N ATOM 1865 CA LEU A 131 -11.847 3.154 20.261 1.00 61.12 C ATOM 1866 C LEU A 131 -11.775 2.994 21.776 1.00 73.50 C ATOM 1867 O LEU A 131 -12.625 3.506 22.505 1.00 5.12 O ATOM 1868 CB LEU A 131 -13.289 3.433 19.834 1.00 60.35 C ATOM 1869 CG LEU A 131 -14.194 2.209 19.687 1.00 60.04 C ATOM 1870 CD1 LEU A 131 -15.444 2.365 20.538 1.00 75.51 C ATOM 1871 CD2 LEU A 131 -14.564 1.992 18.227 1.00 71.44 C ATOM 0 H LEU A 131 -11.068 1.207 20.215 1.00 64.14 H new ATOM 0 HA LEU A 131 -11.220 3.998 19.973 1.00 61.12 H new ATOM 0 HB2 LEU A 131 -13.739 4.107 20.563 1.00 60.35 H new ATOM 0 HB3 LEU A 131 -13.269 3.962 18.881 1.00 60.35 H new ATOM 0 HG LEU A 131 -13.648 1.333 20.037 1.00 60.04 H new ATOM 0 HD11 LEU A 131 -16.076 1.485 20.421 1.00 75.51 H new ATOM 0 HD12 LEU A 131 -15.160 2.471 21.585 1.00 75.51 H new ATOM 0 HD13 LEU A 131 -15.993 3.251 20.219 1.00 75.51 H new ATOM 0 HD21 LEU A 131 -15.208 1.117 18.141 1.00 71.44 H new ATOM 0 HD22 LEU A 131 -15.091 2.869 17.851 1.00 71.44 H new ATOM 0 HD23 LEU A 131 -13.658 1.835 17.642 1.00 71.44 H new ATOM 1883 N ASP A 132 -10.756 2.281 22.243 1.00 41.14 N ATOM 1884 CA ASP A 132 -10.571 2.056 23.672 1.00 70.14 C ATOM 1885 C ASP A 132 -9.710 3.154 24.288 1.00 64.13 C ATOM 1886 O ASP A 132 -8.510 3.239 24.022 1.00 14.12 O ATOM 1887 CB ASP A 132 -9.929 0.689 23.915 1.00 2.44 C ATOM 1888 CG ASP A 132 -10.931 -0.445 23.831 1.00 51.24 C ATOM 1889 OD1 ASP A 132 -12.122 -0.208 24.124 1.00 41.10 O ATOM 1890 OD2 ASP A 132 -10.525 -1.569 23.470 1.00 31.11 O ATOM 0 H ASP A 132 -10.045 1.849 21.653 1.00 41.14 H new ATOM 0 HA ASP A 132 -11.551 2.078 24.149 1.00 70.14 H new ATOM 0 HB2 ASP A 132 -9.139 0.527 23.182 1.00 2.44 H new ATOM 0 HB3 ASP A 132 -9.458 0.682 24.898 1.00 2.44 H new ATOM 1895 N PHE A 133 -10.329 3.993 25.111 1.00 53.11 N ATOM 1896 CA PHE A 133 -9.620 5.087 25.763 1.00 1.54 C ATOM 1897 C PHE A 133 -8.369 4.578 26.474 1.00 34.10 C ATOM 1898 O PHE A 133 -7.288 5.147 26.332 1.00 64.31 O ATOM 1899 CB PHE A 133 -10.537 5.793 26.764 1.00 12.13 C ATOM 1900 CG PHE A 133 -10.788 7.237 26.433 1.00 22.43 C ATOM 1901 CD1 PHE A 133 -11.604 7.586 25.370 1.00 74.42 C ATOM 1902 CD2 PHE A 133 -10.206 8.245 27.186 1.00 73.55 C ATOM 1903 CE1 PHE A 133 -11.837 8.913 25.063 1.00 74.13 C ATOM 1904 CE2 PHE A 133 -10.436 9.573 26.884 1.00 50.55 C ATOM 1905 CZ PHE A 133 -11.252 9.908 25.820 1.00 5.11 C ATOM 0 H PHE A 133 -11.321 3.936 25.342 1.00 53.11 H new ATOM 0 HA PHE A 133 -9.316 5.798 24.995 1.00 1.54 H new ATOM 0 HB2 PHE A 133 -11.491 5.267 26.804 1.00 12.13 H new ATOM 0 HB3 PHE A 133 -10.095 5.728 27.758 1.00 12.13 H new ATOM 0 HD1 PHE A 133 -12.064 6.812 24.774 1.00 74.42 H new ATOM 0 HD2 PHE A 133 -9.566 7.989 28.018 1.00 73.55 H new ATOM 0 HE1 PHE A 133 -12.476 9.171 24.232 1.00 74.13 H new ATOM 0 HE2 PHE A 133 -9.978 10.349 27.479 1.00 50.55 H new ATOM 0 HZ PHE A 133 -11.432 10.946 25.581 1.00 5.11 H new ATOM 1915 N GLU A 134 -8.528 3.503 27.239 1.00 23.45 N ATOM 1916 CA GLU A 134 -7.412 2.917 27.974 1.00 41.35 C ATOM 1917 C GLU A 134 -6.280 2.532 27.026 1.00 45.11 C ATOM 1918 O GLU A 134 -5.104 2.625 27.378 1.00 71.04 O ATOM 1919 CB GLU A 134 -7.877 1.688 28.757 1.00 63.22 C ATOM 1920 CG GLU A 134 -7.721 1.830 30.262 1.00 51.15 C ATOM 1921 CD GLU A 134 -8.012 0.540 31.003 1.00 61.43 C ATOM 1922 OE1 GLU A 134 -8.344 -0.464 30.338 1.00 55.24 O ATOM 1923 OE2 GLU A 134 -7.907 0.533 32.247 1.00 72.21 O ATOM 0 H GLU A 134 -9.417 3.020 27.366 1.00 23.45 H new ATOM 0 HA GLU A 134 -7.039 3.664 28.674 1.00 41.35 H new ATOM 0 HB2 GLU A 134 -8.924 1.495 28.525 1.00 63.22 H new ATOM 0 HB3 GLU A 134 -7.311 0.819 28.422 1.00 63.22 H new ATOM 0 HG2 GLU A 134 -6.705 2.154 30.489 1.00 51.15 H new ATOM 0 HG3 GLU A 134 -8.392 2.610 30.621 1.00 51.15 H new ATOM 1930 N GLU A 135 -6.644 2.099 25.823 1.00 41.01 N ATOM 1931 CA GLU A 135 -5.659 1.698 24.825 1.00 3.44 C ATOM 1932 C GLU A 135 -4.868 2.904 24.327 1.00 44.41 C ATOM 1933 O GLU A 135 -3.658 2.821 24.113 1.00 23.04 O ATOM 1934 CB GLU A 135 -6.346 1.003 23.648 1.00 2.40 C ATOM 1935 CG GLU A 135 -5.375 0.399 22.647 1.00 33.35 C ATOM 1936 CD GLU A 135 -6.076 -0.392 21.559 1.00 10.45 C ATOM 1937 OE1 GLU A 135 -7.127 -1.000 21.852 1.00 22.02 O ATOM 1938 OE2 GLU A 135 -5.574 -0.402 20.416 1.00 32.12 O ATOM 0 H GLU A 135 -7.613 2.017 25.516 1.00 41.01 H new ATOM 0 HA GLU A 135 -4.967 1.000 25.295 1.00 3.44 H new ATOM 0 HB2 GLU A 135 -6.996 0.216 24.031 1.00 2.40 H new ATOM 0 HB3 GLU A 135 -6.984 1.722 23.134 1.00 2.40 H new ATOM 0 HG2 GLU A 135 -4.787 1.195 22.191 1.00 33.35 H new ATOM 0 HG3 GLU A 135 -4.676 -0.252 23.172 1.00 33.35 H new ATOM 1945 N ILE A 136 -5.560 4.024 24.143 1.00 23.44 N ATOM 1946 CA ILE A 136 -4.923 5.246 23.671 1.00 44.41 C ATOM 1947 C ILE A 136 -3.955 5.800 24.712 1.00 72.13 C ATOM 1948 O ILE A 136 -2.821 6.156 24.393 1.00 50.25 O ATOM 1949 CB ILE A 136 -5.964 6.328 23.328 1.00 32.22 C ATOM 1950 CG1 ILE A 136 -6.918 5.823 22.244 1.00 34.41 C ATOM 1951 CG2 ILE A 136 -5.272 7.606 22.879 1.00 54.12 C ATOM 1952 CD1 ILE A 136 -8.229 6.577 22.193 1.00 64.30 C ATOM 0 H ILE A 136 -6.562 4.109 24.314 1.00 23.44 H new ATOM 0 HA ILE A 136 -4.371 4.985 22.768 1.00 44.41 H new ATOM 0 HB ILE A 136 -6.545 6.549 24.223 1.00 32.22 H new ATOM 0 HG12 ILE A 136 -6.426 5.900 21.274 1.00 34.41 H new ATOM 0 HG13 ILE A 136 -7.123 4.766 22.415 1.00 34.41 H new ATOM 0 HG21 ILE A 136 -6.021 8.361 22.640 1.00 54.12 H new ATOM 0 HG22 ILE A 136 -4.630 7.973 23.680 1.00 54.12 H new ATOM 0 HG23 ILE A 136 -4.668 7.402 21.995 1.00 54.12 H new ATOM 0 HD11 ILE A 136 -8.855 6.165 21.402 1.00 64.30 H new ATOM 0 HD12 ILE A 136 -8.742 6.479 23.150 1.00 64.30 H new ATOM 0 HD13 ILE A 136 -8.035 7.630 21.991 1.00 64.30 H new ATOM 1964 N SER A 137 -4.411 5.867 25.958 1.00 10.35 N ATOM 1965 CA SER A 137 -3.587 6.379 27.047 1.00 3.10 C ATOM 1966 C SER A 137 -2.383 5.474 27.289 1.00 62.31 C ATOM 1967 O SER A 137 -1.284 5.948 27.580 1.00 74.52 O ATOM 1968 CB SER A 137 -4.414 6.500 28.328 1.00 31.43 C ATOM 1969 OG SER A 137 -5.194 7.682 28.322 1.00 14.41 O ATOM 0 H SER A 137 -5.346 5.573 26.239 1.00 10.35 H new ATOM 0 HA SER A 137 -3.226 7.367 26.762 1.00 3.10 H new ATOM 0 HB2 SER A 137 -5.065 5.632 28.427 1.00 31.43 H new ATOM 0 HB3 SER A 137 -3.751 6.502 29.193 1.00 31.43 H new ATOM 0 HG SER A 137 -5.714 7.735 29.151 1.00 14.41 H new ATOM 1975 N ARG A 138 -2.598 4.168 27.166 1.00 33.03 N ATOM 1976 CA ARG A 138 -1.532 3.195 27.372 1.00 13.05 C ATOM 1977 C ARG A 138 -0.494 3.281 26.257 1.00 14.23 C ATOM 1978 O ARG A 138 0.704 3.135 26.497 1.00 23.40 O ATOM 1979 CB ARG A 138 -2.110 1.780 27.438 1.00 50.01 C ATOM 1980 CG ARG A 138 -1.184 0.774 28.102 1.00 11.34 C ATOM 1981 CD ARG A 138 -0.237 0.139 27.096 1.00 11.42 C ATOM 1982 NE ARG A 138 -0.612 -1.237 26.785 1.00 61.31 N ATOM 1983 CZ ARG A 138 0.029 -1.991 25.899 1.00 62.13 C ATOM 1984 NH1 ARG A 138 1.072 -1.504 25.240 1.00 33.00 N ATOM 1985 NH2 ARG A 138 -0.372 -3.235 25.670 1.00 21.24 N ATOM 0 H ARG A 138 -3.501 3.759 26.925 1.00 33.03 H new ATOM 0 HA ARG A 138 -1.043 3.425 28.318 1.00 13.05 H new ATOM 0 HB2 ARG A 138 -3.054 1.807 27.983 1.00 50.01 H new ATOM 0 HB3 ARG A 138 -2.335 1.441 26.427 1.00 50.01 H new ATOM 0 HG2 ARG A 138 -0.608 1.269 28.883 1.00 11.34 H new ATOM 0 HG3 ARG A 138 -1.776 -0.003 28.586 1.00 11.34 H new ATOM 0 HD2 ARG A 138 -0.232 0.729 26.180 1.00 11.42 H new ATOM 0 HD3 ARG A 138 0.778 0.157 27.492 1.00 11.42 H new ATOM 0 HE ARG A 138 -1.410 -1.642 27.275 1.00 61.31 H new ATOM 0 HH11 ARG A 138 1.384 -0.548 25.413 1.00 33.00 H new ATOM 0 HH12 ARG A 138 1.562 -2.085 24.560 1.00 33.00 H new ATOM 0 HH21 ARG A 138 -1.174 -3.614 26.175 1.00 21.24 H new ATOM 0 HH22 ARG A 138 0.121 -3.813 24.989 1.00 21.24 H new ATOM 1999 N LYS A 139 -0.963 3.519 25.037 1.00 12.40 N ATOM 2000 CA LYS A 139 -0.077 3.626 23.884 1.00 52.01 C ATOM 2001 C LYS A 139 0.797 4.872 23.983 1.00 25.32 C ATOM 2002 O LYS A 139 2.013 4.805 23.802 1.00 24.35 O ATOM 2003 CB LYS A 139 -0.893 3.665 22.590 1.00 72.32 C ATOM 2004 CG LYS A 139 -0.195 3.009 21.411 1.00 73.31 C ATOM 2005 CD LYS A 139 -0.185 1.495 21.541 1.00 61.10 C ATOM 2006 CE LYS A 139 -0.660 0.822 20.262 1.00 5.30 C ATOM 2007 NZ LYS A 139 -0.794 -0.652 20.427 1.00 4.42 N ATOM 0 H LYS A 139 -1.952 3.642 24.821 1.00 12.40 H new ATOM 0 HA LYS A 139 0.570 2.749 23.872 1.00 52.01 H new ATOM 0 HB2 LYS A 139 -1.849 3.168 22.758 1.00 72.32 H new ATOM 0 HB3 LYS A 139 -1.113 4.703 22.340 1.00 72.32 H new ATOM 0 HG2 LYS A 139 -0.697 3.292 20.486 1.00 73.31 H new ATOM 0 HG3 LYS A 139 0.829 3.376 21.343 1.00 73.31 H new ATOM 0 HD2 LYS A 139 0.823 1.156 21.779 1.00 61.10 H new ATOM 0 HD3 LYS A 139 -0.826 1.196 22.370 1.00 61.10 H new ATOM 0 HE2 LYS A 139 -1.621 1.243 19.965 1.00 5.30 H new ATOM 0 HE3 LYS A 139 0.043 1.035 19.457 1.00 5.30 H new ATOM 0 HZ1 LYS A 139 -1.120 -1.073 19.534 1.00 4.42 H new ATOM 0 HZ2 LYS A 139 0.128 -1.058 20.685 1.00 4.42 H new ATOM 0 HZ3 LYS A 139 -1.484 -0.856 21.178 1.00 4.42 H new ATOM 2021 N VAL A 140 0.171 6.008 24.273 1.00 70.21 N ATOM 2022 CA VAL A 140 0.893 7.268 24.399 1.00 52.21 C ATOM 2023 C VAL A 140 1.799 7.262 25.625 1.00 42.32 C ATOM 2024 O VAL A 140 2.909 7.794 25.593 1.00 63.22 O ATOM 2025 CB VAL A 140 -0.075 8.462 24.496 1.00 54.23 C ATOM 2026 CG1 VAL A 140 -0.996 8.307 25.697 1.00 40.44 C ATOM 2027 CG2 VAL A 140 0.698 9.770 24.571 1.00 21.04 C ATOM 0 H VAL A 140 -0.835 6.081 24.425 1.00 70.21 H new ATOM 0 HA VAL A 140 1.502 7.375 23.501 1.00 52.21 H new ATOM 0 HB VAL A 140 -0.691 8.482 23.597 1.00 54.23 H new ATOM 0 HG11 VAL A 140 -1.673 9.160 25.749 1.00 40.44 H new ATOM 0 HG12 VAL A 140 -1.576 7.390 25.595 1.00 40.44 H new ATOM 0 HG13 VAL A 140 -0.400 8.260 26.609 1.00 40.44 H new ATOM 0 HG21 VAL A 140 -0.002 10.603 24.639 1.00 21.04 H new ATOM 0 HG22 VAL A 140 1.340 9.763 25.452 1.00 21.04 H new ATOM 0 HG23 VAL A 140 1.310 9.883 23.676 1.00 21.04 H new ATOM 2037 N LYS A 141 1.319 6.657 26.706 1.00 60.13 N ATOM 2038 CA LYS A 141 2.086 6.579 27.944 1.00 75.04 C ATOM 2039 C LYS A 141 3.365 5.774 27.741 1.00 21.35 C ATOM 2040 O LYS A 141 4.398 6.071 28.341 1.00 1.02 O ATOM 2041 CB LYS A 141 1.241 5.945 29.051 1.00 1.24 C ATOM 2042 CG LYS A 141 0.345 6.935 29.775 1.00 53.22 C ATOM 2043 CD LYS A 141 -0.742 6.228 30.566 1.00 34.05 C ATOM 2044 CE LYS A 141 -1.157 7.034 31.788 1.00 42.43 C ATOM 2045 NZ LYS A 141 -2.593 6.831 32.125 1.00 1.52 N ATOM 0 H LYS A 141 0.402 6.213 26.750 1.00 60.13 H new ATOM 0 HA LYS A 141 2.359 7.592 28.239 1.00 75.04 H new ATOM 0 HB2 LYS A 141 0.624 5.157 28.619 1.00 1.24 H new ATOM 0 HB3 LYS A 141 1.903 5.470 29.775 1.00 1.24 H new ATOM 0 HG2 LYS A 141 0.946 7.547 30.448 1.00 53.22 H new ATOM 0 HG3 LYS A 141 -0.111 7.611 29.052 1.00 53.22 H new ATOM 0 HD2 LYS A 141 -1.609 6.062 29.927 1.00 34.05 H new ATOM 0 HD3 LYS A 141 -0.385 5.247 30.880 1.00 34.05 H new ATOM 0 HE2 LYS A 141 -0.540 6.746 32.639 1.00 42.43 H new ATOM 0 HE3 LYS A 141 -0.973 8.093 31.604 1.00 42.43 H new ATOM 0 HZ1 LYS A 141 -2.836 7.397 32.963 1.00 1.52 H new ATOM 0 HZ2 LYS A 141 -3.183 7.129 31.322 1.00 1.52 H new ATOM 0 HZ3 LYS A 141 -2.764 5.825 32.325 1.00 1.52 H new ATOM 2059 N SER A 142 3.289 4.754 26.892 1.00 3.11 N ATOM 2060 CA SER A 142 4.441 3.905 26.613 1.00 62.32 C ATOM 2061 C SER A 142 5.381 4.574 25.615 1.00 52.44 C ATOM 2062 O SER A 142 6.601 4.467 25.726 1.00 62.41 O ATOM 2063 CB SER A 142 3.983 2.550 26.069 1.00 12.11 C ATOM 2064 OG SER A 142 4.928 1.536 26.363 1.00 43.21 O ATOM 0 H SER A 142 2.442 4.496 26.386 1.00 3.11 H new ATOM 0 HA SER A 142 4.981 3.750 27.547 1.00 62.32 H new ATOM 0 HB2 SER A 142 3.018 2.288 26.502 1.00 12.11 H new ATOM 0 HB3 SER A 142 3.841 2.617 24.990 1.00 12.11 H new ATOM 0 HG SER A 142 4.611 0.680 26.006 1.00 43.21 H new ATOM 2070 N ASN A 143 4.802 5.267 24.639 1.00 75.50 N ATOM 2071 CA ASN A 143 5.586 5.954 23.620 1.00 40.13 C ATOM 2072 C ASN A 143 6.451 4.967 22.842 1.00 41.34 C ATOM 2073 O ASN A 143 7.554 5.301 22.407 1.00 33.14 O ATOM 2074 CB ASN A 143 6.468 7.026 24.263 1.00 42.24 C ATOM 2075 CG ASN A 143 6.933 8.068 23.263 1.00 22.13 C ATOM 2076 OD1 ASN A 143 6.966 7.817 22.058 1.00 4.04 O ATOM 2077 ND2 ASN A 143 7.295 9.245 23.761 1.00 63.42 N ATOM 0 H ASN A 143 3.792 5.367 24.533 1.00 75.50 H new ATOM 0 HA ASN A 143 4.895 6.430 22.925 1.00 40.13 H new ATOM 0 HB2 ASN A 143 5.914 7.516 25.064 1.00 42.24 H new ATOM 0 HB3 ASN A 143 7.337 6.552 24.720 1.00 42.24 H new ATOM 0 HD21 ASN A 143 7.617 9.985 23.138 1.00 63.42 H new ATOM 0 HD22 ASN A 143 7.251 9.408 24.767 1.00 63.42 H new ATOM 2084 N ARG A 144 5.943 3.752 22.669 1.00 72.52 N ATOM 2085 CA ARG A 144 6.669 2.716 21.944 1.00 72.14 C ATOM 2086 C ARG A 144 5.810 2.130 20.827 1.00 53.53 C ATOM 2087 O ARG A 144 5.073 2.852 20.154 1.00 20.10 O ATOM 2088 CB ARG A 144 7.107 1.605 22.900 1.00 13.22 C ATOM 2089 CG ARG A 144 8.536 1.755 23.394 1.00 44.22 C ATOM 2090 CD ARG A 144 8.867 0.727 24.464 1.00 31.03 C ATOM 2091 NE ARG A 144 9.930 1.186 25.354 1.00 20.23 N ATOM 2092 CZ ARG A 144 11.209 1.249 25.000 1.00 13.11 C ATOM 2093 NH1 ARG A 144 11.581 0.885 23.781 1.00 41.23 N ATOM 2094 NH2 ARG A 144 12.118 1.678 25.866 1.00 30.43 N ATOM 0 H ARG A 144 5.031 3.460 23.021 1.00 72.52 H new ATOM 0 HA ARG A 144 7.553 3.172 21.499 1.00 72.14 H new ATOM 0 HB2 ARG A 144 6.435 1.590 23.758 1.00 13.22 H new ATOM 0 HB3 ARG A 144 7.004 0.643 22.397 1.00 13.22 H new ATOM 0 HG2 ARG A 144 9.225 1.645 22.557 1.00 44.22 H new ATOM 0 HG3 ARG A 144 8.680 2.758 23.795 1.00 44.22 H new ATOM 0 HD2 ARG A 144 7.973 0.512 25.049 1.00 31.03 H new ATOM 0 HD3 ARG A 144 9.170 -0.206 23.989 1.00 31.03 H new ATOM 0 HE ARG A 144 9.677 1.474 26.299 1.00 20.23 H new ATOM 0 HH11 ARG A 144 10.885 0.556 23.112 1.00 41.23 H new ATOM 0 HH12 ARG A 144 12.564 0.934 23.512 1.00 41.23 H new ATOM 0 HH21 ARG A 144 11.835 1.960 26.805 1.00 30.43 H new ATOM 0 HH22 ARG A 144 13.100 1.726 25.593 1.00 30.43 H new