USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1067 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 85 GLN : amide:sc= 1.02 K(o=2.2,f=0.78) USER MOD Set 1.2: A 161 CYS SG : rot -72:sc= 1.19 USER MOD Set 2.1: A 80 LYS NZ :NH3+ 179:sc= 0.817 (180deg=-0.0349) USER MOD Set 2.2: A 81 ASN : amide:sc= 0.731 K(o=1.5,f=-6!) USER MOD Set 3.1: A 41 MET CE :methyl -173:sc= -0.0769 (180deg=-0.257) USER MOD Set 3.2: A 74 ASN : amide:sc= -0.0197 K(o=-0.097,f=-1.3) USER MOD Set 4.1: A 40 TYR OH : rot 180:sc= -0.636 USER MOD Set 4.2: A 77 MET CE :methyl -116:sc= -0.2 (180deg=-0.00332) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0932 F(o=-1.1,f=-0.093) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.517 USER MOD Single : A 17 MET CE :methyl -173:sc= -0.0544 (180deg=-0.161) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.21) USER MOD Single : A 36 HIS :FLIP no HD1:sc= 0.0559 F(o=-0.97,f=0.056) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0487 K(o=-0.049,f=-0.99) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0611 F(o=-0.76,f=-0.061) USER MOD Single : A 55 TYR OH : rot 120:sc= 0 USER MOD Single : A 56 THR OG1 : rot -10:sc= 0.392 USER MOD Single : A 82 SER OG : rot 159:sc= 0.892 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -174:sc= -1.54 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.667 F(o=-1.6,f=-0.67) USER MOD Single : A 94 ASN : amide:sc= -0.119 K(o=-0.12,f=-5.7!) USER MOD Single : A 123 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0.522 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS :FLIP no HE2:sc= -2.41! C(o=-5.5!,f=-2.4!) USER MOD Single : A 134 THR OG1 : rot -108:sc= 0.0635 USER MOD Single : A 135 SER OG : rot -148:sc= 0.0346 USER MOD Single : A 138 ASN : amide:sc= -0.138 K(o=-0.14,f=-4.5!) USER MOD Single : A 139 LYS NZ :NH3+ -121:sc= 0.965 (180deg=-1.28) USER MOD Single : A 144 GLN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot -44:sc= 0.317 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 163 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 8 1.680 11.049 -3.950 1.00 1.20 N ATOM 66 CA GLN A 8 3.046 11.443 -3.662 1.00 1.13 C ATOM 67 C GLN A 8 3.251 12.934 -3.874 1.00 0.98 C ATOM 68 O GLN A 8 3.035 13.456 -4.966 1.00 0.93 O ATOM 69 CB GLN A 8 4.022 10.649 -4.530 1.00 1.19 C ATOM 70 CG GLN A 8 4.065 9.167 -4.199 1.00 1.42 C ATOM 71 CD GLN A 8 4.587 8.893 -2.802 1.00 1.54 C ATOM 72 OE1 GLN A 8 5.510 9.722 -2.334 1.00 2.00 O flip ATOM 73 NE2 GLN A 8 4.182 7.929 -2.155 1.00 1.75 N flip ATOM 0 HA GLN A 8 3.241 11.223 -2.612 1.00 1.13 H new ATOM 0 HB2 GLN A 8 3.745 10.771 -5.577 1.00 1.19 H new ATOM 0 HB3 GLN A 8 5.022 11.068 -4.414 1.00 1.19 H new ATOM 0 HG2 GLN A 8 3.063 8.748 -4.297 1.00 1.42 H new ATOM 0 HG3 GLN A 8 4.697 8.655 -4.925 1.00 1.42 H new ATOM 0 HE21 GLN A 8 3.471 7.313 -2.549 1.00 1.75 H new ATOM 0 HE22 GLN A 8 4.557 7.745 -1.225 1.00 1.75 H new ATOM 82 N VAL A 9 3.636 13.614 -2.809 1.00 0.94 N ATOM 83 CA VAL A 9 3.991 15.017 -2.891 1.00 0.81 C ATOM 84 C VAL A 9 5.446 15.149 -3.322 1.00 0.79 C ATOM 85 O VAL A 9 6.367 14.717 -2.625 1.00 0.87 O ATOM 86 CB VAL A 9 3.739 15.756 -1.551 1.00 0.81 C ATOM 87 CG1 VAL A 9 4.307 14.973 -0.380 1.00 1.16 C ATOM 88 CG2 VAL A 9 4.311 17.168 -1.593 1.00 1.27 C ATOM 0 H VAL A 9 3.711 13.214 -1.874 1.00 0.94 H new ATOM 0 HA VAL A 9 3.351 15.490 -3.636 1.00 0.81 H new ATOM 0 HB VAL A 9 2.661 15.833 -1.408 1.00 0.81 H new ATOM 0 HG11 VAL A 9 4.116 15.514 0.547 1.00 1.16 H new ATOM 0 HG12 VAL A 9 3.832 13.993 -0.332 1.00 1.16 H new ATOM 0 HG13 VAL A 9 5.382 14.849 -0.513 1.00 1.16 H new ATOM 0 HG21 VAL A 9 4.122 17.666 -0.642 1.00 1.27 H new ATOM 0 HG22 VAL A 9 5.385 17.120 -1.770 1.00 1.27 H new ATOM 0 HG23 VAL A 9 3.836 17.729 -2.397 1.00 1.27 H new ATOM 98 N TYR A 10 5.635 15.717 -4.493 1.00 0.71 N ATOM 99 CA TYR A 10 6.951 15.841 -5.083 1.00 0.71 C ATOM 100 C TYR A 10 7.493 17.229 -4.830 1.00 0.62 C ATOM 101 O TYR A 10 6.731 18.189 -4.699 1.00 0.57 O ATOM 102 CB TYR A 10 6.877 15.561 -6.582 1.00 0.74 C ATOM 103 CG TYR A 10 6.170 14.265 -6.908 1.00 0.83 C ATOM 104 CD1 TYR A 10 6.793 13.036 -6.718 1.00 0.95 C ATOM 105 CD2 TYR A 10 4.873 14.268 -7.400 1.00 0.84 C ATOM 106 CE1 TYR A 10 6.144 11.855 -7.017 1.00 1.04 C ATOM 107 CE2 TYR A 10 4.219 13.090 -7.699 1.00 0.94 C ATOM 108 CZ TYR A 10 4.858 11.888 -7.506 1.00 1.03 C ATOM 109 OH TYR A 10 4.211 10.713 -7.808 1.00 1.14 O ATOM 0 H TYR A 10 4.883 16.105 -5.062 1.00 0.71 H new ATOM 0 HA TYR A 10 7.622 15.113 -4.627 1.00 0.71 H new ATOM 0 HB2 TYR A 10 6.360 16.384 -7.074 1.00 0.74 H new ATOM 0 HB3 TYR A 10 7.887 15.530 -6.990 1.00 0.74 H new ATOM 0 HD1 TYR A 10 7.801 13.005 -6.330 1.00 0.95 H new ATOM 0 HD2 TYR A 10 4.366 15.209 -7.552 1.00 0.84 H new ATOM 0 HE1 TYR A 10 6.643 10.909 -6.868 1.00 1.04 H new ATOM 0 HE2 TYR A 10 3.210 13.112 -8.083 1.00 0.94 H new ATOM 0 HH TYR A 10 3.311 10.911 -8.141 1.00 1.14 H new ATOM 119 N ARG A 11 8.798 17.326 -4.747 1.00 0.66 N ATOM 120 CA ARG A 11 9.439 18.578 -4.438 1.00 0.64 C ATOM 121 C ARG A 11 10.133 19.126 -5.675 1.00 0.56 C ATOM 122 O ARG A 11 10.579 18.363 -6.539 1.00 0.66 O ATOM 123 CB ARG A 11 10.434 18.365 -3.302 1.00 0.85 C ATOM 124 CG ARG A 11 10.673 19.602 -2.465 1.00 0.85 C ATOM 125 CD ARG A 11 11.459 19.273 -1.204 1.00 1.11 C ATOM 126 NE ARG A 11 10.833 18.196 -0.427 1.00 1.37 N ATOM 127 CZ ARG A 11 9.735 18.347 0.318 1.00 1.76 C ATOM 128 NH1 ARG A 11 9.106 19.515 0.355 1.00 2.15 N ATOM 129 NH2 ARG A 11 9.259 17.321 1.016 1.00 2.31 N ATOM 0 H ARG A 11 9.439 16.546 -4.891 1.00 0.66 H new ATOM 0 HA ARG A 11 8.693 19.307 -4.120 1.00 0.64 H new ATOM 0 HB2 ARG A 11 10.070 17.565 -2.657 1.00 0.85 H new ATOM 0 HB3 ARG A 11 11.383 18.031 -3.720 1.00 0.85 H new ATOM 0 HG2 ARG A 11 11.217 20.342 -3.052 1.00 0.85 H new ATOM 0 HG3 ARG A 11 9.717 20.050 -2.194 1.00 0.85 H new ATOM 0 HD2 ARG A 11 12.473 18.981 -1.476 1.00 1.11 H new ATOM 0 HD3 ARG A 11 11.540 20.166 -0.585 1.00 1.11 H new ATOM 0 HE ARG A 11 11.265 17.272 -0.458 1.00 1.37 H new ATOM 0 HH11 ARG A 11 9.461 20.303 -0.187 1.00 2.15 H new ATOM 0 HH12 ARG A 11 8.268 19.625 0.926 1.00 2.15 H new ATOM 0 HH21 ARG A 11 9.732 16.418 0.983 1.00 2.31 H new ATOM 0 HH22 ARG A 11 8.420 17.437 1.585 1.00 2.31 H new ATOM 143 N GLY A 12 10.207 20.439 -5.762 1.00 0.46 N ATOM 144 CA GLY A 12 10.845 21.073 -6.886 1.00 0.45 C ATOM 145 C GLY A 12 10.802 22.573 -6.760 1.00 0.44 C ATOM 146 O GLY A 12 10.118 23.110 -5.892 1.00 0.50 O ATOM 0 H GLY A 12 9.832 21.083 -5.066 1.00 0.46 H new ATOM 0 HA2 GLY A 12 11.881 20.741 -6.955 1.00 0.45 H new ATOM 0 HA3 GLY A 12 10.350 20.768 -7.808 1.00 0.45 H new ATOM 150 N PHE A 13 11.511 23.257 -7.630 1.00 0.44 N ATOM 151 CA PHE A 13 11.637 24.695 -7.522 1.00 0.46 C ATOM 152 C PHE A 13 11.163 25.390 -8.794 1.00 0.43 C ATOM 153 O PHE A 13 11.366 24.891 -9.903 1.00 0.45 O ATOM 154 CB PHE A 13 13.086 25.069 -7.198 1.00 0.57 C ATOM 155 CG PHE A 13 14.066 23.940 -7.383 1.00 0.57 C ATOM 156 CD1 PHE A 13 14.736 23.782 -8.580 1.00 0.63 C ATOM 157 CD2 PHE A 13 14.325 23.040 -6.354 1.00 0.58 C ATOM 158 CE1 PHE A 13 15.645 22.760 -8.752 1.00 0.68 C ATOM 159 CE2 PHE A 13 15.230 22.014 -6.524 1.00 0.63 C ATOM 160 CZ PHE A 13 15.891 21.876 -7.723 1.00 0.67 C ATOM 0 H PHE A 13 12.008 22.843 -8.419 1.00 0.44 H new ATOM 0 HA PHE A 13 10.997 25.037 -6.709 1.00 0.46 H new ATOM 0 HB2 PHE A 13 13.385 25.904 -7.832 1.00 0.57 H new ATOM 0 HB3 PHE A 13 13.139 25.417 -6.166 1.00 0.57 H new ATOM 0 HD1 PHE A 13 14.545 24.468 -9.392 1.00 0.63 H new ATOM 0 HD2 PHE A 13 13.811 23.146 -5.410 1.00 0.58 H new ATOM 0 HE1 PHE A 13 16.164 22.652 -9.693 1.00 0.68 H new ATOM 0 HE2 PHE A 13 15.420 21.320 -5.718 1.00 0.63 H new ATOM 0 HZ PHE A 13 16.603 21.075 -7.858 1.00 0.67 H new ATOM 170 N ILE A 14 10.515 26.539 -8.618 1.00 0.42 N ATOM 171 CA ILE A 14 9.987 27.313 -9.736 1.00 0.42 C ATOM 172 C ILE A 14 11.113 27.754 -10.667 1.00 0.48 C ATOM 173 O ILE A 14 12.014 28.477 -10.256 1.00 0.56 O ATOM 174 CB ILE A 14 9.232 28.568 -9.240 1.00 0.43 C ATOM 175 CG1 ILE A 14 8.089 28.187 -8.290 1.00 0.41 C ATOM 176 CG2 ILE A 14 8.700 29.367 -10.419 1.00 0.46 C ATOM 177 CD1 ILE A 14 6.971 27.415 -8.952 1.00 0.38 C ATOM 0 H ILE A 14 10.343 26.956 -7.703 1.00 0.42 H new ATOM 0 HA ILE A 14 9.295 26.668 -10.276 1.00 0.42 H new ATOM 0 HB ILE A 14 9.936 29.189 -8.686 1.00 0.43 H new ATOM 0 HG12 ILE A 14 8.494 27.591 -7.472 1.00 0.41 H new ATOM 0 HG13 ILE A 14 7.678 29.095 -7.850 1.00 0.41 H new ATOM 0 HG21 ILE A 14 8.171 30.247 -10.053 1.00 0.46 H new ATOM 0 HG22 ILE A 14 9.531 29.680 -11.051 1.00 0.46 H new ATOM 0 HG23 ILE A 14 8.016 28.748 -10.999 1.00 0.46 H new ATOM 0 HD11 ILE A 14 6.202 27.183 -8.215 1.00 0.38 H new ATOM 0 HD12 ILE A 14 6.538 28.016 -9.751 1.00 0.38 H new ATOM 0 HD13 ILE A 14 7.366 26.488 -9.368 1.00 0.38 H new ATOM 189 N ALA A 15 11.062 27.303 -11.912 1.00 0.49 N ATOM 190 CA ALA A 15 12.077 27.670 -12.892 1.00 0.58 C ATOM 191 C ALA A 15 11.471 28.510 -14.009 1.00 0.65 C ATOM 192 O ALA A 15 12.043 29.516 -14.425 1.00 0.76 O ATOM 193 CB ALA A 15 12.745 26.422 -13.460 1.00 0.59 C ATOM 0 H ALA A 15 10.333 26.685 -12.268 1.00 0.49 H new ATOM 0 HA ALA A 15 12.836 28.270 -12.390 1.00 0.58 H new ATOM 0 HB1 ALA A 15 13.500 26.714 -14.190 1.00 0.59 H new ATOM 0 HB2 ALA A 15 13.218 25.863 -12.653 1.00 0.59 H new ATOM 0 HB3 ALA A 15 11.995 25.796 -13.944 1.00 0.59 H new ATOM 199 N VAL A 16 10.299 28.106 -14.478 1.00 0.66 N ATOM 200 CA VAL A 16 9.632 28.811 -15.563 1.00 0.78 C ATOM 201 C VAL A 16 8.325 29.433 -15.089 1.00 0.69 C ATOM 202 O VAL A 16 7.454 28.742 -14.565 1.00 0.67 O ATOM 203 CB VAL A 16 9.335 27.867 -16.750 1.00 0.94 C ATOM 204 CG1 VAL A 16 8.518 28.578 -17.820 1.00 1.55 C ATOM 205 CG2 VAL A 16 10.627 27.320 -17.336 1.00 1.42 C ATOM 0 H VAL A 16 9.791 27.295 -14.125 1.00 0.66 H new ATOM 0 HA VAL A 16 10.310 29.598 -15.893 1.00 0.78 H new ATOM 0 HB VAL A 16 8.746 27.029 -16.377 1.00 0.94 H new ATOM 0 HG11 VAL A 16 8.323 27.892 -18.644 1.00 1.55 H new ATOM 0 HG12 VAL A 16 7.572 28.912 -17.394 1.00 1.55 H new ATOM 0 HG13 VAL A 16 9.074 29.440 -18.189 1.00 1.55 H new ATOM 0 HG21 VAL A 16 10.396 26.658 -18.170 1.00 1.42 H new ATOM 0 HG22 VAL A 16 11.245 28.146 -17.688 1.00 1.42 H new ATOM 0 HG23 VAL A 16 11.167 26.764 -16.570 1.00 1.42 H new ATOM 215 N MET A 17 8.201 30.740 -15.269 1.00 0.73 N ATOM 216 CA MET A 17 6.961 31.437 -14.968 1.00 0.71 C ATOM 217 C MET A 17 6.423 32.085 -16.235 1.00 0.81 C ATOM 218 O MET A 17 7.018 33.022 -16.764 1.00 0.89 O ATOM 219 CB MET A 17 7.171 32.503 -13.885 1.00 0.74 C ATOM 220 CG MET A 17 7.780 31.961 -12.601 1.00 1.23 C ATOM 221 SD MET A 17 7.887 33.201 -11.287 1.00 1.42 S ATOM 222 CE MET A 17 6.195 33.235 -10.700 1.00 0.90 C ATOM 0 H MET A 17 8.946 31.340 -15.623 1.00 0.73 H new ATOM 0 HA MET A 17 6.241 30.711 -14.590 1.00 0.71 H new ATOM 0 HB2 MET A 17 7.817 33.287 -14.280 1.00 0.74 H new ATOM 0 HB3 MET A 17 6.212 32.967 -13.654 1.00 0.74 H new ATOM 0 HG2 MET A 17 7.183 31.119 -12.250 1.00 1.23 H new ATOM 0 HG3 MET A 17 8.778 31.578 -12.813 1.00 1.23 H new ATOM 0 HE1 MET A 17 6.077 34.041 -9.975 1.00 0.90 H new ATOM 0 HE2 MET A 17 5.522 33.402 -11.541 1.00 0.90 H new ATOM 0 HE3 MET A 17 5.955 32.283 -10.226 1.00 0.90 H new ATOM 232 N LYS A 18 5.324 31.555 -16.741 1.00 0.83 N ATOM 233 CA LYS A 18 4.675 32.117 -17.915 1.00 0.97 C ATOM 234 C LYS A 18 3.523 33.016 -17.477 1.00 1.03 C ATOM 235 O LYS A 18 3.398 33.344 -16.298 1.00 1.01 O ATOM 236 CB LYS A 18 4.152 31.005 -18.833 1.00 1.02 C ATOM 237 CG LYS A 18 5.238 30.162 -19.489 1.00 1.31 C ATOM 238 CD LYS A 18 5.915 30.899 -20.635 1.00 1.39 C ATOM 239 CE LYS A 18 6.919 30.009 -21.355 1.00 1.29 C ATOM 240 NZ LYS A 18 7.408 30.619 -22.624 1.00 2.03 N ATOM 0 H LYS A 18 4.859 30.732 -16.356 1.00 0.83 H new ATOM 0 HA LYS A 18 5.405 32.704 -18.472 1.00 0.97 H new ATOM 0 HB2 LYS A 18 3.502 30.350 -18.254 1.00 1.02 H new ATOM 0 HB3 LYS A 18 3.538 31.455 -19.613 1.00 1.02 H new ATOM 0 HG2 LYS A 18 5.984 29.887 -18.743 1.00 1.31 H new ATOM 0 HG3 LYS A 18 4.802 29.235 -19.861 1.00 1.31 H new ATOM 0 HD2 LYS A 18 5.161 31.245 -21.342 1.00 1.39 H new ATOM 0 HD3 LYS A 18 6.422 31.784 -20.251 1.00 1.39 H new ATOM 0 HE2 LYS A 18 7.766 29.815 -20.697 1.00 1.29 H new ATOM 0 HE3 LYS A 18 6.457 29.046 -21.572 1.00 1.29 H new ATOM 0 HZ1 LYS A 18 8.089 29.977 -23.078 1.00 2.03 H new ATOM 0 HZ2 LYS A 18 6.604 30.780 -23.264 1.00 2.03 H new ATOM 0 HZ3 LYS A 18 7.873 31.526 -22.417 1.00 2.03 H new ATOM 254 N GLU A 19 2.683 33.404 -18.425 1.00 1.21 N ATOM 255 CA GLU A 19 1.574 34.301 -18.136 1.00 1.32 C ATOM 256 C GLU A 19 0.377 33.534 -17.581 1.00 1.18 C ATOM 257 O GLU A 19 -0.439 34.088 -16.846 1.00 1.24 O ATOM 258 CB GLU A 19 1.181 35.053 -19.409 1.00 1.62 C ATOM 259 CG GLU A 19 2.370 35.693 -20.110 1.00 2.11 C ATOM 260 CD GLU A 19 1.990 36.384 -21.400 1.00 2.65 C ATOM 261 OE1 GLU A 19 1.917 37.627 -21.411 1.00 2.89 O ATOM 262 OE2 GLU A 19 1.736 35.684 -22.402 1.00 3.24 O ATOM 0 H GLU A 19 2.748 33.112 -19.400 1.00 1.21 H new ATOM 0 HA GLU A 19 1.892 35.015 -17.377 1.00 1.32 H new ATOM 0 HB2 GLU A 19 0.689 34.363 -20.095 1.00 1.62 H new ATOM 0 HB3 GLU A 19 0.454 35.826 -19.159 1.00 1.62 H new ATOM 0 HG2 GLU A 19 2.835 36.416 -19.440 1.00 2.11 H new ATOM 0 HG3 GLU A 19 3.117 34.927 -20.320 1.00 2.11 H new ATOM 269 N ASN A 20 0.269 32.260 -17.943 1.00 1.10 N ATOM 270 CA ASN A 20 -0.846 31.430 -17.485 1.00 1.07 C ATOM 271 C ASN A 20 -0.369 30.347 -16.519 1.00 0.95 C ATOM 272 O ASN A 20 -0.981 30.109 -15.479 1.00 0.97 O ATOM 273 CB ASN A 20 -1.570 30.781 -18.674 1.00 1.19 C ATOM 274 CG ASN A 20 -2.252 31.793 -19.581 1.00 1.48 C ATOM 275 OD1 ASN A 20 -3.403 32.174 -19.358 1.00 2.03 O ATOM 276 ND2 ASN A 20 -1.559 32.215 -20.633 1.00 1.59 N ATOM 0 H ASN A 20 0.934 31.779 -18.549 1.00 1.10 H new ATOM 0 HA ASN A 20 -1.543 32.083 -16.959 1.00 1.07 H new ATOM 0 HB2 ASN A 20 -0.853 30.204 -19.258 1.00 1.19 H new ATOM 0 HB3 ASN A 20 -2.314 30.078 -18.299 1.00 1.19 H new ATOM 0 HD21 ASN A 20 -1.978 32.876 -21.288 1.00 1.59 H new ATOM 0 HD22 ASN A 20 -0.608 31.878 -20.786 1.00 1.59 H new ATOM 283 N PHE A 21 0.734 29.699 -16.868 1.00 0.88 N ATOM 284 CA PHE A 21 1.228 28.560 -16.107 1.00 0.80 C ATOM 285 C PHE A 21 2.743 28.633 -15.952 1.00 0.75 C ATOM 286 O PHE A 21 3.357 29.643 -16.282 1.00 0.79 O ATOM 287 CB PHE A 21 0.836 27.258 -16.815 1.00 0.87 C ATOM 288 CG PHE A 21 1.394 27.132 -18.212 1.00 0.94 C ATOM 289 CD1 PHE A 21 2.624 26.530 -18.428 1.00 0.97 C ATOM 290 CD2 PHE A 21 0.692 27.617 -19.304 1.00 1.14 C ATOM 291 CE1 PHE A 21 3.142 26.416 -19.701 1.00 1.05 C ATOM 292 CE2 PHE A 21 1.208 27.504 -20.581 1.00 1.25 C ATOM 293 CZ PHE A 21 2.434 26.905 -20.779 1.00 1.15 C ATOM 0 H PHE A 21 1.306 29.944 -17.677 1.00 0.88 H new ATOM 0 HA PHE A 21 0.779 28.582 -15.114 1.00 0.80 H new ATOM 0 HB2 PHE A 21 1.181 26.413 -16.219 1.00 0.87 H new ATOM 0 HB3 PHE A 21 -0.251 27.193 -16.861 1.00 0.87 H new ATOM 0 HD1 PHE A 21 3.184 26.145 -17.588 1.00 0.97 H new ATOM 0 HD2 PHE A 21 -0.268 28.088 -19.155 1.00 1.14 H new ATOM 0 HE1 PHE A 21 4.101 25.944 -19.854 1.00 1.05 H new ATOM 0 HE2 PHE A 21 0.651 27.885 -21.424 1.00 1.25 H new ATOM 0 HZ PHE A 21 2.839 26.819 -21.776 1.00 1.15 H new ATOM 303 N GLY A 22 3.343 27.563 -15.451 1.00 0.71 N ATOM 304 CA GLY A 22 4.786 27.508 -15.350 1.00 0.68 C ATOM 305 C GLY A 22 5.303 26.087 -15.306 1.00 0.66 C ATOM 306 O GLY A 22 4.521 25.135 -15.260 1.00 0.70 O ATOM 0 H GLY A 22 2.856 26.733 -15.113 1.00 0.71 H new ATOM 0 HA2 GLY A 22 5.228 28.027 -16.200 1.00 0.68 H new ATOM 0 HA3 GLY A 22 5.106 28.037 -14.452 1.00 0.68 H new ATOM 310 N PHE A 23 6.620 25.946 -15.318 1.00 0.66 N ATOM 311 CA PHE A 23 7.252 24.639 -15.231 1.00 0.65 C ATOM 312 C PHE A 23 8.196 24.599 -14.038 1.00 0.56 C ATOM 313 O PHE A 23 8.907 25.571 -13.757 1.00 0.59 O ATOM 314 CB PHE A 23 8.013 24.300 -16.517 1.00 0.76 C ATOM 315 CG PHE A 23 7.127 24.155 -17.726 1.00 0.85 C ATOM 316 CD1 PHE A 23 6.187 23.133 -17.802 1.00 0.88 C ATOM 317 CD2 PHE A 23 7.234 25.039 -18.787 1.00 0.98 C ATOM 318 CE1 PHE A 23 5.374 23.003 -18.914 1.00 0.98 C ATOM 319 CE2 PHE A 23 6.423 24.910 -19.900 1.00 1.08 C ATOM 320 CZ PHE A 23 5.493 23.891 -19.963 1.00 1.06 C ATOM 0 H PHE A 23 7.274 26.725 -15.388 1.00 0.66 H new ATOM 0 HA PHE A 23 6.469 23.892 -15.099 1.00 0.65 H new ATOM 0 HB2 PHE A 23 8.749 25.080 -16.709 1.00 0.76 H new ATOM 0 HB3 PHE A 23 8.564 23.371 -16.368 1.00 0.76 H new ATOM 0 HD1 PHE A 23 6.091 22.434 -16.985 1.00 0.88 H new ATOM 0 HD2 PHE A 23 7.959 25.838 -18.745 1.00 0.98 H new ATOM 0 HE1 PHE A 23 4.646 22.206 -18.961 1.00 0.98 H new ATOM 0 HE2 PHE A 23 6.517 25.606 -20.720 1.00 1.08 H new ATOM 0 HZ PHE A 23 4.860 23.789 -20.832 1.00 1.06 H new ATOM 330 N ILE A 24 8.188 23.481 -13.337 1.00 0.54 N ATOM 331 CA ILE A 24 8.980 23.327 -12.129 1.00 0.48 C ATOM 332 C ILE A 24 10.142 22.374 -12.373 1.00 0.54 C ATOM 333 O ILE A 24 9.956 21.293 -12.937 1.00 0.61 O ATOM 334 CB ILE A 24 8.115 22.779 -10.974 1.00 0.42 C ATOM 335 CG1 ILE A 24 6.884 23.663 -10.768 1.00 0.41 C ATOM 336 CG2 ILE A 24 8.923 22.689 -9.690 1.00 0.40 C ATOM 337 CD1 ILE A 24 5.915 23.132 -9.738 1.00 0.41 C ATOM 0 H ILE A 24 7.637 22.659 -13.585 1.00 0.54 H new ATOM 0 HA ILE A 24 9.364 24.310 -11.855 1.00 0.48 H new ATOM 0 HB ILE A 24 7.785 21.775 -11.240 1.00 0.42 H new ATOM 0 HG12 ILE A 24 7.210 24.659 -10.467 1.00 0.41 H new ATOM 0 HG13 ILE A 24 6.364 23.772 -11.720 1.00 0.41 H new ATOM 0 HG21 ILE A 24 8.293 22.300 -8.890 1.00 0.40 H new ATOM 0 HG22 ILE A 24 9.772 22.022 -9.840 1.00 0.40 H new ATOM 0 HG23 ILE A 24 9.285 23.680 -9.418 1.00 0.40 H new ATOM 0 HD11 ILE A 24 5.069 23.814 -9.649 1.00 0.41 H new ATOM 0 HD12 ILE A 24 5.558 22.149 -10.047 1.00 0.41 H new ATOM 0 HD13 ILE A 24 6.417 23.049 -8.774 1.00 0.41 H new ATOM 349 N GLU A 25 11.335 22.782 -11.966 1.00 0.58 N ATOM 350 CA GLU A 25 12.488 21.906 -12.020 1.00 0.67 C ATOM 351 C GLU A 25 12.390 20.922 -10.862 1.00 0.64 C ATOM 352 O GLU A 25 12.544 21.305 -9.700 1.00 0.63 O ATOM 353 CB GLU A 25 13.792 22.708 -11.927 1.00 0.78 C ATOM 354 CG GLU A 25 15.029 21.905 -12.305 1.00 0.95 C ATOM 355 CD GLU A 25 16.332 22.627 -11.990 1.00 1.60 C ATOM 356 OE1 GLU A 25 17.296 21.971 -11.533 1.00 2.07 O ATOM 357 OE2 GLU A 25 16.394 23.858 -12.195 1.00 2.30 O ATOM 0 H GLU A 25 11.526 23.713 -11.596 1.00 0.58 H new ATOM 0 HA GLU A 25 12.499 21.373 -12.971 1.00 0.67 H new ATOM 0 HB2 GLU A 25 13.721 23.579 -12.579 1.00 0.78 H new ATOM 0 HB3 GLU A 25 13.908 23.081 -10.909 1.00 0.78 H new ATOM 0 HG2 GLU A 25 15.012 20.952 -11.775 1.00 0.95 H new ATOM 0 HG3 GLU A 25 14.995 21.678 -13.371 1.00 0.95 H new ATOM 364 N THR A 26 12.075 19.672 -11.172 1.00 0.68 N ATOM 365 CA THR A 26 11.899 18.662 -10.144 1.00 0.69 C ATOM 366 C THR A 26 13.197 18.444 -9.377 1.00 0.71 C ATOM 367 O THR A 26 14.282 18.619 -9.924 1.00 0.82 O ATOM 368 CB THR A 26 11.412 17.326 -10.737 1.00 0.79 C ATOM 369 OG1 THR A 26 12.192 16.976 -11.891 1.00 0.84 O ATOM 370 CG2 THR A 26 9.940 17.404 -11.113 1.00 0.87 C ATOM 0 H THR A 26 11.937 19.336 -12.125 1.00 0.68 H new ATOM 0 HA THR A 26 11.135 19.028 -9.458 1.00 0.69 H new ATOM 0 HB THR A 26 11.536 16.555 -9.976 1.00 0.79 H new ATOM 0 HG1 THR A 26 11.771 17.346 -12.695 1.00 0.84 H new ATOM 0 HG21 THR A 26 9.620 16.449 -11.529 1.00 0.87 H new ATOM 0 HG22 THR A 26 9.349 17.629 -10.225 1.00 0.87 H new ATOM 0 HG23 THR A 26 9.795 18.190 -11.854 1.00 0.87 H new ATOM 378 N LEU A 27 13.073 18.081 -8.108 1.00 0.68 N ATOM 379 CA LEU A 27 14.234 17.859 -7.255 1.00 0.74 C ATOM 380 C LEU A 27 15.230 16.907 -7.911 1.00 0.89 C ATOM 381 O LEU A 27 16.428 17.183 -7.967 1.00 1.00 O ATOM 382 CB LEU A 27 13.792 17.292 -5.907 1.00 0.74 C ATOM 383 CG LEU A 27 14.107 18.177 -4.716 1.00 0.80 C ATOM 384 CD1 LEU A 27 15.605 18.353 -4.564 1.00 1.48 C ATOM 385 CD2 LEU A 27 13.416 19.515 -4.875 1.00 1.58 C ATOM 0 H LEU A 27 12.177 17.933 -7.644 1.00 0.68 H new ATOM 0 HA LEU A 27 14.727 18.819 -7.104 1.00 0.74 H new ATOM 0 HB2 LEU A 27 12.717 17.115 -5.937 1.00 0.74 H new ATOM 0 HB3 LEU A 27 14.271 16.324 -5.760 1.00 0.74 H new ATOM 0 HG LEU A 27 13.735 17.699 -3.810 1.00 0.80 H new ATOM 0 HD11 LEU A 27 15.811 18.991 -3.704 1.00 1.48 H new ATOM 0 HD12 LEU A 27 16.072 17.380 -4.414 1.00 1.48 H new ATOM 0 HD13 LEU A 27 16.010 18.815 -5.464 1.00 1.48 H new ATOM 0 HD21 LEU A 27 13.645 20.147 -4.017 1.00 1.58 H new ATOM 0 HD22 LEU A 27 13.766 19.999 -5.787 1.00 1.58 H new ATOM 0 HD23 LEU A 27 12.338 19.363 -4.936 1.00 1.58 H new ATOM 397 N SER A 28 14.723 15.792 -8.412 1.00 0.97 N ATOM 398 CA SER A 28 15.562 14.789 -9.062 1.00 1.16 C ATOM 399 C SER A 28 15.808 15.125 -10.536 1.00 1.12 C ATOM 400 O SER A 28 16.437 14.341 -11.251 1.00 1.25 O ATOM 401 CB SER A 28 14.898 13.415 -8.947 1.00 1.34 C ATOM 402 OG SER A 28 14.516 13.144 -7.607 1.00 2.04 O ATOM 0 H SER A 28 13.731 15.555 -8.382 1.00 0.97 H new ATOM 0 HA SER A 28 16.528 14.779 -8.558 1.00 1.16 H new ATOM 0 HB2 SER A 28 14.021 13.376 -9.594 1.00 1.34 H new ATOM 0 HB3 SER A 28 15.586 12.645 -9.295 1.00 1.34 H new ATOM 0 HG SER A 28 14.093 12.261 -7.560 1.00 2.04 H new ATOM 408 N HIS A 29 15.300 16.292 -10.971 1.00 1.00 N ATOM 409 CA HIS A 29 15.388 16.764 -12.365 1.00 1.01 C ATOM 410 C HIS A 29 15.173 15.628 -13.366 1.00 1.02 C ATOM 411 O HIS A 29 15.816 15.559 -14.413 1.00 1.13 O ATOM 412 CB HIS A 29 16.707 17.523 -12.634 1.00 1.17 C ATOM 413 CG HIS A 29 17.970 16.727 -12.462 1.00 1.75 C ATOM 414 ND1 HIS A 29 18.613 16.078 -13.492 1.00 2.53 N ATOM 415 CD2 HIS A 29 18.723 16.512 -11.356 1.00 2.06 C ATOM 416 CE1 HIS A 29 19.711 15.503 -12.992 1.00 3.29 C ATOM 417 NE2 HIS A 29 19.826 15.738 -11.698 1.00 3.03 N ATOM 0 H HIS A 29 14.810 16.942 -10.356 1.00 1.00 H new ATOM 0 HA HIS A 29 14.575 17.476 -12.510 1.00 1.01 H new ATOM 0 HB2 HIS A 29 16.680 17.909 -13.653 1.00 1.17 H new ATOM 0 HB3 HIS A 29 16.750 18.385 -11.968 1.00 1.17 H new ATOM 0 HD2 HIS A 29 18.501 16.883 -10.366 1.00 2.06 H new ATOM 0 HE1 HIS A 29 20.413 14.922 -13.571 1.00 3.29 H new ATOM 0 HE2 HIS A 29 20.570 15.418 -11.078 1.00 3.03 H new ATOM 425 N ASP A 30 14.226 14.758 -13.043 1.00 1.05 N ATOM 426 CA ASP A 30 13.952 13.588 -13.862 1.00 1.17 C ATOM 427 C ASP A 30 12.934 13.931 -14.938 1.00 1.15 C ATOM 428 O ASP A 30 13.051 13.505 -16.086 1.00 1.31 O ATOM 429 CB ASP A 30 13.414 12.453 -12.991 1.00 1.31 C ATOM 430 CG ASP A 30 13.417 11.120 -13.706 1.00 2.12 C ATOM 431 OD1 ASP A 30 12.430 10.799 -14.398 1.00 2.89 O ATOM 432 OD2 ASP A 30 14.412 10.377 -13.564 1.00 2.47 O ATOM 0 H ASP A 30 13.634 14.842 -12.217 1.00 1.05 H new ATOM 0 HA ASP A 30 14.880 13.268 -14.336 1.00 1.17 H new ATOM 0 HB2 ASP A 30 14.017 12.377 -12.086 1.00 1.31 H new ATOM 0 HB3 ASP A 30 12.397 12.691 -12.678 1.00 1.31 H new ATOM 437 N GLU A 31 11.948 14.728 -14.556 1.00 1.06 N ATOM 438 CA GLU A 31 10.868 15.104 -15.451 1.00 1.19 C ATOM 439 C GLU A 31 10.475 16.556 -15.216 1.00 1.07 C ATOM 440 O GLU A 31 10.823 17.141 -14.186 1.00 0.94 O ATOM 441 CB GLU A 31 9.664 14.180 -15.227 1.00 1.37 C ATOM 442 CG GLU A 31 9.108 14.230 -13.810 1.00 1.33 C ATOM 443 CD GLU A 31 8.194 13.059 -13.502 1.00 1.49 C ATOM 444 OE1 GLU A 31 7.041 13.061 -13.977 1.00 1.80 O ATOM 445 OE2 GLU A 31 8.617 12.141 -12.766 1.00 1.65 O ATOM 0 H GLU A 31 11.875 15.130 -13.621 1.00 1.06 H new ATOM 0 HA GLU A 31 11.205 15.000 -16.482 1.00 1.19 H new ATOM 0 HB2 GLU A 31 8.874 14.451 -15.927 1.00 1.37 H new ATOM 0 HB3 GLU A 31 9.956 13.155 -15.457 1.00 1.37 H new ATOM 0 HG2 GLU A 31 9.934 14.238 -13.099 1.00 1.33 H new ATOM 0 HG3 GLU A 31 8.559 15.161 -13.671 1.00 1.33 H new ATOM 452 N GLU A 32 9.768 17.134 -16.173 1.00 1.20 N ATOM 453 CA GLU A 32 9.274 18.494 -16.042 1.00 1.14 C ATOM 454 C GLU A 32 7.788 18.469 -15.744 1.00 1.04 C ATOM 455 O GLU A 32 7.016 17.815 -16.446 1.00 1.17 O ATOM 456 CB GLU A 32 9.553 19.304 -17.315 1.00 1.41 C ATOM 457 CG GLU A 32 9.096 18.624 -18.595 1.00 1.85 C ATOM 458 CD GLU A 32 9.523 19.365 -19.846 1.00 2.71 C ATOM 459 OE1 GLU A 32 8.967 19.071 -20.929 1.00 3.37 O ATOM 460 OE2 GLU A 32 10.422 20.228 -19.759 1.00 3.06 O ATOM 0 H GLU A 32 9.523 16.680 -17.053 1.00 1.20 H new ATOM 0 HA GLU A 32 9.797 18.978 -15.217 1.00 1.14 H new ATOM 0 HB2 GLU A 32 9.058 20.271 -17.233 1.00 1.41 H new ATOM 0 HB3 GLU A 32 10.623 19.499 -17.382 1.00 1.41 H new ATOM 0 HG2 GLU A 32 9.498 17.611 -18.625 1.00 1.85 H new ATOM 0 HG3 GLU A 32 8.010 18.536 -18.585 1.00 1.85 H new ATOM 467 N VAL A 33 7.387 19.160 -14.698 1.00 0.87 N ATOM 468 CA VAL A 33 5.995 19.154 -14.307 1.00 0.80 C ATOM 469 C VAL A 33 5.321 20.452 -14.696 1.00 0.75 C ATOM 470 O VAL A 33 5.813 21.544 -14.399 1.00 0.71 O ATOM 471 CB VAL A 33 5.805 18.931 -12.796 1.00 0.71 C ATOM 472 CG1 VAL A 33 4.324 18.892 -12.456 1.00 0.78 C ATOM 473 CG2 VAL A 33 6.492 17.654 -12.343 1.00 0.76 C ATOM 0 H VAL A 33 7.998 19.727 -14.110 1.00 0.87 H new ATOM 0 HA VAL A 33 5.536 18.319 -14.836 1.00 0.80 H new ATOM 0 HB VAL A 33 6.265 19.764 -12.265 1.00 0.71 H new ATOM 0 HG11 VAL A 33 4.201 18.734 -11.385 1.00 0.78 H new ATOM 0 HG12 VAL A 33 3.861 19.837 -12.739 1.00 0.78 H new ATOM 0 HG13 VAL A 33 3.847 18.077 -13.000 1.00 0.78 H new ATOM 0 HG21 VAL A 33 6.342 17.521 -11.272 1.00 0.76 H new ATOM 0 HG22 VAL A 33 6.068 16.804 -12.877 1.00 0.76 H new ATOM 0 HG23 VAL A 33 7.559 17.720 -12.555 1.00 0.76 H new ATOM 483 N PHE A 34 4.200 20.312 -15.378 1.00 0.83 N ATOM 484 CA PHE A 34 3.360 21.439 -15.709 1.00 0.82 C ATOM 485 C PHE A 34 2.475 21.788 -14.519 1.00 0.75 C ATOM 486 O PHE A 34 1.618 21.001 -14.114 1.00 0.78 O ATOM 487 CB PHE A 34 2.506 21.113 -16.944 1.00 0.94 C ATOM 488 CG PHE A 34 1.231 21.904 -17.023 1.00 0.95 C ATOM 489 CD1 PHE A 34 0.010 21.277 -16.836 1.00 1.02 C ATOM 490 CD2 PHE A 34 1.252 23.270 -17.248 1.00 0.93 C ATOM 491 CE1 PHE A 34 -1.165 21.997 -16.871 1.00 1.06 C ATOM 492 CE2 PHE A 34 0.078 23.992 -17.291 1.00 0.97 C ATOM 493 CZ PHE A 34 -1.132 23.355 -17.097 1.00 1.04 C ATOM 0 H PHE A 34 3.850 19.415 -15.716 1.00 0.83 H new ATOM 0 HA PHE A 34 3.986 22.300 -15.942 1.00 0.82 H new ATOM 0 HB2 PHE A 34 3.095 21.300 -17.842 1.00 0.94 H new ATOM 0 HB3 PHE A 34 2.264 20.050 -16.937 1.00 0.94 H new ATOM 0 HD1 PHE A 34 -0.022 20.212 -16.661 1.00 1.02 H new ATOM 0 HD2 PHE A 34 2.196 23.774 -17.391 1.00 0.93 H new ATOM 0 HE1 PHE A 34 -2.110 21.497 -16.721 1.00 1.06 H new ATOM 0 HE2 PHE A 34 0.105 25.056 -17.476 1.00 0.97 H new ATOM 0 HZ PHE A 34 -2.051 23.921 -17.123 1.00 1.04 H new ATOM 503 N PHE A 35 2.692 22.957 -13.946 1.00 0.68 N ATOM 504 CA PHE A 35 1.853 23.407 -12.858 1.00 0.65 C ATOM 505 C PHE A 35 1.114 24.669 -13.285 1.00 0.66 C ATOM 506 O PHE A 35 1.638 25.481 -14.052 1.00 0.67 O ATOM 507 CB PHE A 35 2.677 23.641 -11.579 1.00 0.62 C ATOM 508 CG PHE A 35 3.131 25.060 -11.366 1.00 0.80 C ATOM 509 CD1 PHE A 35 4.220 25.569 -12.054 1.00 1.17 C ATOM 510 CD2 PHE A 35 2.469 25.877 -10.465 1.00 1.23 C ATOM 511 CE1 PHE A 35 4.638 26.870 -11.849 1.00 1.72 C ATOM 512 CE2 PHE A 35 2.880 27.178 -10.257 1.00 1.76 C ATOM 513 CZ PHE A 35 3.968 27.675 -10.949 1.00 1.96 C ATOM 0 H PHE A 35 3.434 23.604 -14.214 1.00 0.68 H new ATOM 0 HA PHE A 35 1.123 22.632 -12.624 1.00 0.65 H new ATOM 0 HB2 PHE A 35 2.081 23.333 -10.720 1.00 0.62 H new ATOM 0 HB3 PHE A 35 3.554 22.995 -11.607 1.00 0.62 H new ATOM 0 HD1 PHE A 35 4.748 24.943 -12.758 1.00 1.17 H new ATOM 0 HD2 PHE A 35 1.621 25.492 -9.919 1.00 1.23 H new ATOM 0 HE1 PHE A 35 5.488 27.257 -12.392 1.00 1.72 H new ATOM 0 HE2 PHE A 35 2.352 27.806 -9.555 1.00 1.76 H new ATOM 0 HZ PHE A 35 4.294 28.692 -10.786 1.00 1.96 H new ATOM 523 N HIS A 36 -0.106 24.823 -12.813 1.00 0.72 N ATOM 524 CA HIS A 36 -0.915 25.965 -13.185 1.00 0.74 C ATOM 525 C HIS A 36 -1.066 26.890 -11.985 1.00 0.70 C ATOM 526 O HIS A 36 -1.387 26.432 -10.891 1.00 0.74 O ATOM 527 CB HIS A 36 -2.286 25.488 -13.668 1.00 0.84 C ATOM 528 CG HIS A 36 -2.981 26.436 -14.597 1.00 0.94 C ATOM 529 ND1 HIS A 36 -3.019 27.791 -14.605 1.00 1.06 N flip ATOM 530 CD2 HIS A 36 -3.763 26.030 -15.653 1.00 1.15 C flip ATOM 531 CE1 HIS A 36 -3.817 28.220 -15.661 1.00 1.12 C flip ATOM 532 NE2 HIS A 36 -4.239 27.122 -16.261 1.00 1.18 N flip ATOM 0 H HIS A 36 -0.559 24.172 -12.171 1.00 0.72 H new ATOM 0 HA HIS A 36 -0.431 26.512 -13.994 1.00 0.74 H new ATOM 0 HB2 HIS A 36 -2.166 24.528 -14.171 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -2.923 25.316 -12.801 1.00 0.84 H new ATOM 0 HD2 HIS A 36 -3.959 25.008 -15.941 1.00 1.15 H new ATOM 0 HE1 HIS A 36 -4.044 29.240 -15.934 1.00 1.12 H new ATOM 0 HE2 HIS A 36 -4.847 27.108 -17.080 1.00 1.18 H new ATOM 540 N PHE A 37 -0.834 28.185 -12.188 1.00 0.68 N ATOM 541 CA PHE A 37 -0.962 29.169 -11.112 1.00 0.67 C ATOM 542 C PHE A 37 -2.380 29.196 -10.538 1.00 0.73 C ATOM 543 O PHE A 37 -2.601 29.655 -9.419 1.00 0.75 O ATOM 544 CB PHE A 37 -0.573 30.561 -11.613 1.00 0.71 C ATOM 545 CG PHE A 37 0.909 30.739 -11.825 1.00 0.68 C ATOM 546 CD1 PHE A 37 1.441 30.869 -13.101 1.00 0.73 C ATOM 547 CD2 PHE A 37 1.772 30.773 -10.739 1.00 0.69 C ATOM 548 CE1 PHE A 37 2.806 31.025 -13.286 1.00 0.74 C ATOM 549 CE2 PHE A 37 3.134 30.932 -10.917 1.00 0.72 C ATOM 550 CZ PHE A 37 3.652 31.057 -12.194 1.00 0.73 C ATOM 0 H PHE A 37 -0.556 28.579 -13.087 1.00 0.68 H new ATOM 0 HA PHE A 37 -0.282 28.872 -10.313 1.00 0.67 H new ATOM 0 HB2 PHE A 37 -1.091 30.757 -12.552 1.00 0.71 H new ATOM 0 HB3 PHE A 37 -0.920 31.305 -10.896 1.00 0.71 H new ATOM 0 HD1 PHE A 37 0.784 30.848 -13.958 1.00 0.73 H new ATOM 0 HD2 PHE A 37 1.374 30.674 -9.740 1.00 0.69 H new ATOM 0 HE1 PHE A 37 3.208 31.122 -14.284 1.00 0.74 H new ATOM 0 HE2 PHE A 37 3.792 30.959 -10.061 1.00 0.72 H new ATOM 0 HZ PHE A 37 4.715 31.179 -12.337 1.00 0.73 H new ATOM 560 N SER A 38 -3.333 28.695 -11.310 1.00 0.80 N ATOM 561 CA SER A 38 -4.715 28.586 -10.864 1.00 0.90 C ATOM 562 C SER A 38 -4.856 27.538 -9.751 1.00 0.92 C ATOM 563 O SER A 38 -5.790 27.590 -8.954 1.00 1.07 O ATOM 564 CB SER A 38 -5.609 28.227 -12.056 1.00 0.98 C ATOM 565 OG SER A 38 -6.980 28.165 -11.694 1.00 1.63 O ATOM 0 H SER A 38 -3.172 28.354 -12.258 1.00 0.80 H new ATOM 0 HA SER A 38 -5.027 29.547 -10.454 1.00 0.90 H new ATOM 0 HB2 SER A 38 -5.476 28.967 -12.845 1.00 0.98 H new ATOM 0 HB3 SER A 38 -5.298 27.266 -12.465 1.00 0.98 H new ATOM 0 HG SER A 38 -7.516 27.935 -12.481 1.00 1.63 H new ATOM 571 N ASN A 39 -3.919 26.595 -9.689 1.00 0.82 N ATOM 572 CA ASN A 39 -3.956 25.549 -8.670 1.00 0.87 C ATOM 573 C ASN A 39 -2.888 25.789 -7.613 1.00 0.80 C ATOM 574 O ASN A 39 -2.576 24.906 -6.813 1.00 0.87 O ATOM 575 CB ASN A 39 -3.752 24.164 -9.290 1.00 0.92 C ATOM 576 CG ASN A 39 -5.005 23.615 -9.936 1.00 1.28 C ATOM 577 OD1 ASN A 39 -5.838 23.006 -9.267 1.00 2.07 O ATOM 578 ND2 ASN A 39 -5.139 23.805 -11.239 1.00 1.54 N ATOM 0 H ASN A 39 -3.128 26.533 -10.330 1.00 0.82 H new ATOM 0 HA ASN A 39 -4.940 25.584 -8.203 1.00 0.87 H new ATOM 0 HB2 ASN A 39 -2.959 24.219 -10.036 1.00 0.92 H new ATOM 0 HB3 ASN A 39 -3.415 23.472 -8.518 1.00 0.92 H new ATOM 0 HD21 ASN A 39 -5.958 23.440 -11.726 1.00 1.54 H new ATOM 0 HD22 ASN A 39 -4.424 24.316 -11.756 1.00 1.54 H new ATOM 585 N TYR A 40 -2.332 26.987 -7.612 1.00 0.72 N ATOM 586 CA TYR A 40 -1.292 27.338 -6.663 1.00 0.66 C ATOM 587 C TYR A 40 -1.899 27.893 -5.377 1.00 0.73 C ATOM 588 O TYR A 40 -2.784 28.751 -5.414 1.00 0.87 O ATOM 589 CB TYR A 40 -0.326 28.352 -7.286 1.00 0.65 C ATOM 590 CG TYR A 40 0.646 28.934 -6.292 1.00 0.59 C ATOM 591 CD1 TYR A 40 1.747 28.212 -5.847 1.00 0.55 C ATOM 592 CD2 TYR A 40 0.442 30.204 -5.778 1.00 0.75 C ATOM 593 CE1 TYR A 40 2.612 28.743 -4.912 1.00 0.64 C ATOM 594 CE2 TYR A 40 1.304 30.741 -4.851 1.00 0.81 C ATOM 595 CZ TYR A 40 2.383 30.008 -4.422 1.00 0.74 C ATOM 596 OH TYR A 40 3.232 30.543 -3.489 1.00 0.91 O ATOM 0 H TYR A 40 -2.584 27.734 -8.259 1.00 0.72 H new ATOM 0 HA TYR A 40 -0.734 26.436 -6.412 1.00 0.66 H new ATOM 0 HB2 TYR A 40 0.231 27.868 -8.088 1.00 0.65 H new ATOM 0 HB3 TYR A 40 -0.900 29.160 -7.739 1.00 0.65 H new ATOM 0 HD1 TYR A 40 1.928 27.222 -6.238 1.00 0.55 H new ATOM 0 HD2 TYR A 40 -0.408 30.782 -6.111 1.00 0.75 H new ATOM 0 HE1 TYR A 40 3.461 28.171 -4.568 1.00 0.64 H new ATOM 0 HE2 TYR A 40 1.133 31.734 -4.462 1.00 0.81 H new ATOM 0 HH TYR A 40 2.929 31.444 -3.249 1.00 0.91 H new ATOM 606 N MET A 41 -1.423 27.397 -4.244 1.00 0.69 N ATOM 607 CA MET A 41 -1.891 27.853 -2.946 1.00 0.79 C ATOM 608 C MET A 41 -0.973 28.942 -2.403 1.00 0.77 C ATOM 609 O MET A 41 0.169 28.673 -2.030 1.00 0.77 O ATOM 610 CB MET A 41 -1.953 26.684 -1.957 1.00 0.87 C ATOM 611 CG MET A 41 -2.406 27.094 -0.564 1.00 1.35 C ATOM 612 SD MET A 41 -2.236 25.771 0.650 1.00 1.73 S ATOM 613 CE MET A 41 -3.332 24.525 -0.028 1.00 1.39 C ATOM 0 H MET A 41 -0.707 26.672 -4.200 1.00 0.69 H new ATOM 0 HA MET A 41 -2.893 28.264 -3.069 1.00 0.79 H new ATOM 0 HB2 MET A 41 -2.634 25.926 -2.344 1.00 0.87 H new ATOM 0 HB3 MET A 41 -0.968 26.222 -1.889 1.00 0.87 H new ATOM 0 HG2 MET A 41 -1.824 27.956 -0.238 1.00 1.35 H new ATOM 0 HG3 MET A 41 -3.448 27.410 -0.605 1.00 1.35 H new ATOM 0 HE1 MET A 41 -3.426 23.700 0.678 1.00 1.39 H new ATOM 0 HE2 MET A 41 -4.314 24.963 -0.207 1.00 1.39 H new ATOM 0 HE3 MET A 41 -2.923 24.153 -0.968 1.00 1.39 H new ATOM 623 N GLY A 42 -1.469 30.167 -2.371 1.00 0.87 N ATOM 624 CA GLY A 42 -0.682 31.271 -1.863 1.00 0.91 C ATOM 625 C GLY A 42 -0.822 32.505 -2.725 1.00 0.92 C ATOM 626 O GLY A 42 -1.906 32.793 -3.232 1.00 1.05 O ATOM 0 H GLY A 42 -2.405 30.418 -2.688 1.00 0.87 H new ATOM 0 HA2 GLY A 42 -0.995 31.502 -0.845 1.00 0.91 H new ATOM 0 HA3 GLY A 42 0.367 30.978 -1.816 1.00 0.91 H new ATOM 630 N ASN A 43 0.274 33.228 -2.898 1.00 0.89 N ATOM 631 CA ASN A 43 0.280 34.436 -3.712 1.00 0.91 C ATOM 632 C ASN A 43 1.202 34.253 -4.908 1.00 0.83 C ATOM 633 O ASN A 43 2.423 34.316 -4.775 1.00 0.83 O ATOM 634 CB ASN A 43 0.721 35.642 -2.878 1.00 1.02 C ATOM 635 CG ASN A 43 -0.296 36.013 -1.812 1.00 1.48 C ATOM 636 OD1 ASN A 43 -0.249 35.508 -0.691 1.00 2.14 O ATOM 637 ND2 ASN A 43 -1.215 36.901 -2.156 1.00 2.03 N ATOM 0 H ASN A 43 1.177 32.998 -2.483 1.00 0.89 H new ATOM 0 HA ASN A 43 -0.732 34.620 -4.073 1.00 0.91 H new ATOM 0 HB2 ASN A 43 1.677 35.422 -2.403 1.00 1.02 H new ATOM 0 HB3 ASN A 43 0.881 36.496 -3.536 1.00 1.02 H new ATOM 0 HD21 ASN A 43 -1.921 37.192 -1.480 1.00 2.03 H new ATOM 0 HD22 ASN A 43 -1.217 37.295 -3.097 1.00 2.03 H new ATOM 644 N PRO A 44 0.626 34.020 -6.097 1.00 0.84 N ATOM 645 CA PRO A 44 1.400 33.717 -7.307 1.00 0.82 C ATOM 646 C PRO A 44 2.219 34.906 -7.803 1.00 0.88 C ATOM 647 O PRO A 44 3.226 34.733 -8.489 1.00 0.91 O ATOM 648 CB PRO A 44 0.329 33.339 -8.333 1.00 0.92 C ATOM 649 CG PRO A 44 -0.914 34.007 -7.857 1.00 1.01 C ATOM 650 CD PRO A 44 -0.827 34.038 -6.356 1.00 0.93 C ATOM 0 HA PRO A 44 2.134 32.932 -7.125 1.00 0.82 H new ATOM 0 HB2 PRO A 44 0.602 33.679 -9.332 1.00 0.92 H new ATOM 0 HB3 PRO A 44 0.200 32.258 -8.389 1.00 0.92 H new ATOM 0 HG2 PRO A 44 -0.994 35.015 -8.263 1.00 1.01 H new ATOM 0 HG3 PRO A 44 -1.799 33.461 -8.184 1.00 1.01 H new ATOM 0 HD2 PRO A 44 -1.297 34.931 -5.945 1.00 0.93 H new ATOM 0 HD3 PRO A 44 -1.326 33.179 -5.907 1.00 0.93 H new ATOM 658 N ASN A 45 1.793 36.108 -7.435 1.00 0.94 N ATOM 659 CA ASN A 45 2.468 37.326 -7.870 1.00 1.05 C ATOM 660 C ASN A 45 3.618 37.665 -6.928 1.00 1.04 C ATOM 661 O ASN A 45 4.379 38.602 -7.157 1.00 1.15 O ATOM 662 CB ASN A 45 1.470 38.482 -7.932 1.00 1.15 C ATOM 663 CG ASN A 45 2.014 39.698 -8.659 1.00 1.43 C ATOM 664 OD1 ASN A 45 2.833 39.582 -9.568 1.00 2.08 O ATOM 665 ND2 ASN A 45 1.540 40.873 -8.277 1.00 1.88 N ATOM 0 H ASN A 45 0.983 36.266 -6.836 1.00 0.94 H new ATOM 0 HA ASN A 45 2.879 37.162 -8.866 1.00 1.05 H new ATOM 0 HB2 ASN A 45 0.562 38.144 -8.431 1.00 1.15 H new ATOM 0 HB3 ASN A 45 1.190 38.767 -6.918 1.00 1.15 H new ATOM 0 HD21 ASN A 45 1.854 41.725 -8.742 1.00 1.88 H new ATOM 0 HD22 ASN A 45 0.861 40.927 -7.518 1.00 1.88 H new ATOM 672 N TRP A 46 3.737 36.887 -5.863 1.00 0.98 N ATOM 673 CA TRP A 46 4.811 37.062 -4.903 1.00 1.04 C ATOM 674 C TRP A 46 5.773 35.880 -4.954 1.00 0.96 C ATOM 675 O TRP A 46 6.543 35.642 -4.022 1.00 1.02 O ATOM 676 CB TRP A 46 4.242 37.230 -3.493 1.00 1.10 C ATOM 677 CG TRP A 46 3.633 38.579 -3.261 1.00 1.28 C ATOM 678 CD1 TRP A 46 2.368 38.979 -3.583 1.00 1.30 C ATOM 679 CD2 TRP A 46 4.272 39.713 -2.663 1.00 1.56 C ATOM 680 NE1 TRP A 46 2.183 40.291 -3.225 1.00 1.52 N ATOM 681 CE2 TRP A 46 3.337 40.762 -2.653 1.00 1.67 C ATOM 682 CE3 TRP A 46 5.545 39.935 -2.130 1.00 1.80 C ATOM 683 CZ2 TRP A 46 3.638 42.021 -2.134 1.00 1.97 C ATOM 684 CZ3 TRP A 46 5.843 41.183 -1.617 1.00 2.13 C ATOM 685 CH2 TRP A 46 4.891 42.212 -1.620 1.00 2.18 C ATOM 0 H TRP A 46 3.097 36.124 -5.643 1.00 0.98 H new ATOM 0 HA TRP A 46 5.364 37.965 -5.163 1.00 1.04 H new ATOM 0 HB2 TRP A 46 3.488 36.463 -3.318 1.00 1.10 H new ATOM 0 HB3 TRP A 46 5.037 37.067 -2.765 1.00 1.10 H new ATOM 0 HD1 TRP A 46 1.622 38.354 -4.051 1.00 1.30 H new ATOM 0 HE1 TRP A 46 1.327 40.828 -3.362 1.00 1.52 H new ATOM 0 HE3 TRP A 46 6.282 39.146 -2.119 1.00 1.80 H new ATOM 0 HZ2 TRP A 46 2.908 42.817 -2.138 1.00 1.97 H new ATOM 0 HZ3 TRP A 46 6.825 41.369 -1.207 1.00 2.13 H new ATOM 0 HH2 TRP A 46 5.152 43.175 -1.208 1.00 2.18 H new ATOM 696 N LEU A 47 5.727 35.150 -6.060 1.00 0.85 N ATOM 697 CA LEU A 47 6.611 34.013 -6.262 1.00 0.78 C ATOM 698 C LEU A 47 7.926 34.447 -6.897 1.00 0.82 C ATOM 699 O LEU A 47 8.002 35.491 -7.543 1.00 0.92 O ATOM 700 CB LEU A 47 5.931 32.952 -7.127 1.00 0.68 C ATOM 701 CG LEU A 47 5.043 31.973 -6.366 1.00 0.62 C ATOM 702 CD1 LEU A 47 4.314 31.048 -7.321 1.00 0.57 C ATOM 703 CD2 LEU A 47 5.887 31.168 -5.400 1.00 0.66 C ATOM 0 H LEU A 47 5.085 35.327 -6.832 1.00 0.85 H new ATOM 0 HA LEU A 47 6.830 33.582 -5.285 1.00 0.78 H new ATOM 0 HB2 LEU A 47 5.328 33.454 -7.884 1.00 0.68 H new ATOM 0 HB3 LEU A 47 6.700 32.387 -7.655 1.00 0.68 H new ATOM 0 HG LEU A 47 4.296 32.539 -5.810 1.00 0.62 H new ATOM 0 HD11 LEU A 47 3.688 30.360 -6.754 1.00 0.57 H new ATOM 0 HD12 LEU A 47 3.690 31.637 -7.993 1.00 0.57 H new ATOM 0 HD13 LEU A 47 5.040 30.481 -7.904 1.00 0.57 H new ATOM 0 HD21 LEU A 47 5.251 30.469 -4.857 1.00 0.66 H new ATOM 0 HD22 LEU A 47 6.645 30.614 -5.954 1.00 0.66 H new ATOM 0 HD23 LEU A 47 6.373 31.841 -4.693 1.00 0.66 H new ATOM 715 N GLU A 48 8.955 33.633 -6.706 1.00 0.81 N ATOM 716 CA GLU A 48 10.288 33.943 -7.197 1.00 0.89 C ATOM 717 C GLU A 48 10.887 32.761 -7.943 1.00 0.71 C ATOM 718 O GLU A 48 10.486 31.613 -7.732 1.00 0.62 O ATOM 719 CB GLU A 48 11.198 34.331 -6.031 1.00 1.15 C ATOM 720 CG GLU A 48 11.184 35.815 -5.713 1.00 1.48 C ATOM 721 CD GLU A 48 11.937 36.629 -6.748 1.00 1.86 C ATOM 722 OE1 GLU A 48 12.272 36.073 -7.818 1.00 2.35 O ATOM 723 OE2 GLU A 48 12.175 37.833 -6.509 1.00 2.13 O ATOM 0 H GLU A 48 8.889 32.745 -6.209 1.00 0.81 H new ATOM 0 HA GLU A 48 10.206 34.780 -7.890 1.00 0.89 H new ATOM 0 HB2 GLU A 48 10.894 33.776 -5.144 1.00 1.15 H new ATOM 0 HB3 GLU A 48 12.219 34.028 -6.262 1.00 1.15 H new ATOM 0 HG2 GLU A 48 10.153 36.164 -5.659 1.00 1.48 H new ATOM 0 HG3 GLU A 48 11.628 35.979 -4.731 1.00 1.48 H new ATOM 730 N LEU A 49 11.848 33.043 -8.809 1.00 0.75 N ATOM 731 CA LEU A 49 12.535 31.998 -9.550 1.00 0.67 C ATOM 732 C LEU A 49 13.505 31.256 -8.636 1.00 0.67 C ATOM 733 O LEU A 49 14.410 31.854 -8.046 1.00 0.73 O ATOM 734 CB LEU A 49 13.278 32.588 -10.750 1.00 0.76 C ATOM 735 CG LEU A 49 12.396 33.320 -11.769 1.00 0.85 C ATOM 736 CD1 LEU A 49 13.241 33.887 -12.892 1.00 1.40 C ATOM 737 CD2 LEU A 49 11.330 32.396 -12.334 1.00 1.11 C ATOM 0 H LEU A 49 12.170 33.989 -9.016 1.00 0.75 H new ATOM 0 HA LEU A 49 11.793 31.291 -9.921 1.00 0.67 H new ATOM 0 HB2 LEU A 49 14.034 33.282 -10.383 1.00 0.76 H new ATOM 0 HB3 LEU A 49 13.805 31.783 -11.262 1.00 0.76 H new ATOM 0 HG LEU A 49 11.899 34.140 -11.252 1.00 0.85 H new ATOM 0 HD11 LEU A 49 12.599 34.403 -13.606 1.00 1.40 H new ATOM 0 HD12 LEU A 49 13.966 34.590 -12.482 1.00 1.40 H new ATOM 0 HD13 LEU A 49 13.767 33.076 -13.397 1.00 1.40 H new ATOM 0 HD21 LEU A 49 10.720 32.942 -13.054 1.00 1.11 H new ATOM 0 HD22 LEU A 49 11.807 31.551 -12.830 1.00 1.11 H new ATOM 0 HD23 LEU A 49 10.698 32.032 -11.524 1.00 1.11 H new ATOM 749 N GLY A 50 13.316 29.952 -8.521 1.00 0.66 N ATOM 750 CA GLY A 50 14.131 29.156 -7.632 1.00 0.72 C ATOM 751 C GLY A 50 13.435 28.877 -6.317 1.00 0.69 C ATOM 752 O GLY A 50 14.029 28.306 -5.407 1.00 0.75 O ATOM 0 H GLY A 50 12.606 29.428 -9.032 1.00 0.66 H new ATOM 0 HA2 GLY A 50 14.380 28.212 -8.117 1.00 0.72 H new ATOM 0 HA3 GLY A 50 15.071 29.674 -7.441 1.00 0.72 H new ATOM 756 N GLN A 51 12.180 29.297 -6.217 1.00 0.62 N ATOM 757 CA GLN A 51 11.405 29.111 -4.997 1.00 0.60 C ATOM 758 C GLN A 51 10.992 27.654 -4.822 1.00 0.56 C ATOM 759 O GLN A 51 10.323 27.075 -5.680 1.00 0.53 O ATOM 760 CB GLN A 51 10.170 30.016 -5.027 1.00 0.59 C ATOM 761 CG GLN A 51 9.300 29.946 -3.780 1.00 0.60 C ATOM 762 CD GLN A 51 10.065 30.206 -2.494 1.00 0.70 C ATOM 763 OE1 GLN A 51 10.438 29.141 -1.801 1.00 1.06 O flip ATOM 764 NE2 GLN A 51 10.273 31.353 -2.101 1.00 0.87 N flip ATOM 0 H GLN A 51 11.676 29.770 -6.968 1.00 0.62 H new ATOM 0 HA GLN A 51 12.030 29.383 -4.147 1.00 0.60 H new ATOM 0 HB2 GLN A 51 10.495 31.047 -5.169 1.00 0.59 H new ATOM 0 HB3 GLN A 51 9.563 29.751 -5.892 1.00 0.59 H new ATOM 0 HG2 GLN A 51 8.494 30.674 -3.868 1.00 0.60 H new ATOM 0 HG3 GLN A 51 8.836 28.961 -3.725 1.00 0.60 H new ATOM 0 HE21 GLN A 51 9.970 32.148 -2.664 1.00 0.87 H new ATOM 0 HE22 GLN A 51 10.748 31.509 -1.212 1.00 0.87 H new ATOM 773 N GLU A 52 11.429 27.079 -3.713 1.00 0.57 N ATOM 774 CA GLU A 52 11.051 25.733 -3.316 1.00 0.55 C ATOM 775 C GLU A 52 9.542 25.614 -3.102 1.00 0.50 C ATOM 776 O GLU A 52 8.940 26.422 -2.384 1.00 0.55 O ATOM 777 CB GLU A 52 11.786 25.379 -2.026 1.00 0.63 C ATOM 778 CG GLU A 52 12.797 24.263 -2.190 1.00 1.15 C ATOM 779 CD GLU A 52 12.139 22.908 -2.335 1.00 1.94 C ATOM 780 OE1 GLU A 52 11.968 22.228 -1.304 1.00 2.44 O ATOM 781 OE2 GLU A 52 11.805 22.518 -3.472 1.00 2.51 O ATOM 0 H GLU A 52 12.062 27.538 -3.058 1.00 0.57 H new ATOM 0 HA GLU A 52 11.326 25.043 -4.113 1.00 0.55 H new ATOM 0 HB2 GLU A 52 12.295 26.267 -1.653 1.00 0.63 H new ATOM 0 HB3 GLU A 52 11.056 25.089 -1.270 1.00 0.63 H new ATOM 0 HG2 GLU A 52 13.414 24.461 -3.067 1.00 1.15 H new ATOM 0 HG3 GLU A 52 13.464 24.250 -1.328 1.00 1.15 H new ATOM 788 N VAL A 53 8.939 24.613 -3.731 1.00 0.43 N ATOM 789 CA VAL A 53 7.524 24.322 -3.558 1.00 0.40 C ATOM 790 C VAL A 53 7.295 22.814 -3.512 1.00 0.41 C ATOM 791 O VAL A 53 7.955 22.049 -4.214 1.00 0.44 O ATOM 792 CB VAL A 53 6.651 24.938 -4.684 1.00 0.37 C ATOM 793 CG1 VAL A 53 6.619 26.456 -4.586 1.00 0.41 C ATOM 794 CG2 VAL A 53 7.153 24.514 -6.053 1.00 0.37 C ATOM 0 H VAL A 53 9.417 23.982 -4.374 1.00 0.43 H new ATOM 0 HA VAL A 53 7.222 24.776 -2.614 1.00 0.40 H new ATOM 0 HB VAL A 53 5.636 24.563 -4.554 1.00 0.37 H new ATOM 0 HG11 VAL A 53 6.000 26.859 -5.387 1.00 0.41 H new ATOM 0 HG12 VAL A 53 6.202 26.750 -3.623 1.00 0.41 H new ATOM 0 HG13 VAL A 53 7.632 26.848 -4.678 1.00 0.41 H new ATOM 0 HG21 VAL A 53 6.525 24.959 -6.825 1.00 0.37 H new ATOM 0 HG22 VAL A 53 8.181 24.851 -6.184 1.00 0.37 H new ATOM 0 HG23 VAL A 53 7.114 23.428 -6.135 1.00 0.37 H new ATOM 804 N GLU A 54 6.371 22.392 -2.668 1.00 0.47 N ATOM 805 CA GLU A 54 5.987 20.995 -2.607 1.00 0.54 C ATOM 806 C GLU A 54 4.546 20.854 -3.077 1.00 0.52 C ATOM 807 O GLU A 54 3.678 21.651 -2.708 1.00 0.54 O ATOM 808 CB GLU A 54 6.178 20.419 -1.195 1.00 0.72 C ATOM 809 CG GLU A 54 5.457 21.186 -0.097 1.00 0.81 C ATOM 810 CD GLU A 54 5.659 20.567 1.275 1.00 1.05 C ATOM 811 OE1 GLU A 54 6.745 19.999 1.526 1.00 1.49 O ATOM 812 OE2 GLU A 54 4.735 20.652 2.114 1.00 1.30 O ATOM 0 H GLU A 54 5.873 22.997 -2.015 1.00 0.47 H new ATOM 0 HA GLU A 54 6.635 20.419 -3.267 1.00 0.54 H new ATOM 0 HB2 GLU A 54 5.830 19.386 -1.188 1.00 0.72 H new ATOM 0 HB3 GLU A 54 7.244 20.398 -0.966 1.00 0.72 H new ATOM 0 HG2 GLU A 54 5.814 22.216 -0.083 1.00 0.81 H new ATOM 0 HG3 GLU A 54 4.391 21.221 -0.323 1.00 0.81 H new ATOM 819 N TYR A 55 4.302 19.858 -3.911 1.00 0.54 N ATOM 820 CA TYR A 55 3.029 19.742 -4.600 1.00 0.58 C ATOM 821 C TYR A 55 2.763 18.303 -5.024 1.00 0.64 C ATOM 822 O TYR A 55 3.685 17.496 -5.127 1.00 0.66 O ATOM 823 CB TYR A 55 3.023 20.667 -5.821 1.00 0.55 C ATOM 824 CG TYR A 55 4.154 20.420 -6.796 1.00 0.52 C ATOM 825 CD1 TYR A 55 5.460 20.787 -6.492 1.00 0.54 C ATOM 826 CD2 TYR A 55 3.913 19.827 -8.023 1.00 0.63 C ATOM 827 CE1 TYR A 55 6.489 20.563 -7.382 1.00 0.56 C ATOM 828 CE2 TYR A 55 4.935 19.602 -8.920 1.00 0.65 C ATOM 829 CZ TYR A 55 6.222 19.972 -8.596 1.00 0.57 C ATOM 830 OH TYR A 55 7.247 19.743 -9.483 1.00 0.63 O ATOM 0 H TYR A 55 4.969 19.118 -4.127 1.00 0.54 H new ATOM 0 HA TYR A 55 2.234 20.039 -3.916 1.00 0.58 H new ATOM 0 HB2 TYR A 55 2.075 20.550 -6.346 1.00 0.55 H new ATOM 0 HB3 TYR A 55 3.073 21.701 -5.479 1.00 0.55 H new ATOM 0 HD1 TYR A 55 5.672 21.256 -5.542 1.00 0.54 H new ATOM 0 HD2 TYR A 55 2.906 19.535 -8.282 1.00 0.63 H new ATOM 0 HE1 TYR A 55 7.499 20.850 -7.128 1.00 0.56 H new ATOM 0 HE2 TYR A 55 4.728 19.138 -9.873 1.00 0.65 H new ATOM 0 HH TYR A 55 7.312 18.783 -9.667 1.00 0.63 H new ATOM 840 N THR A 56 1.502 17.985 -5.274 1.00 0.72 N ATOM 841 CA THR A 56 1.126 16.632 -5.656 1.00 0.82 C ATOM 842 C THR A 56 0.633 16.593 -7.104 1.00 0.85 C ATOM 843 O THR A 56 0.040 17.557 -7.594 1.00 0.85 O ATOM 844 CB THR A 56 0.034 16.073 -4.717 1.00 0.88 C ATOM 845 OG1 THR A 56 -1.154 16.879 -4.801 1.00 0.84 O ATOM 846 CG2 THR A 56 0.514 16.042 -3.273 1.00 0.94 C ATOM 0 H THR A 56 0.724 18.642 -5.220 1.00 0.72 H new ATOM 0 HA THR A 56 2.014 16.007 -5.568 1.00 0.82 H new ATOM 0 HB THR A 56 -0.187 15.055 -5.036 1.00 0.88 H new ATOM 0 HG1 THR A 56 -0.962 17.693 -5.312 1.00 0.84 H new ATOM 0 HG21 THR A 56 -0.276 15.644 -2.636 1.00 0.94 H new ATOM 0 HG22 THR A 56 1.397 15.407 -3.197 1.00 0.94 H new ATOM 0 HG23 THR A 56 0.765 17.053 -2.951 1.00 0.94 H new ATOM 854 N LEU A 57 0.895 15.488 -7.795 1.00 0.96 N ATOM 855 CA LEU A 57 0.452 15.337 -9.177 1.00 1.03 C ATOM 856 C LEU A 57 -0.986 14.854 -9.234 1.00 1.12 C ATOM 857 O LEU A 57 -1.401 14.003 -8.445 1.00 1.19 O ATOM 858 CB LEU A 57 1.350 14.366 -9.948 1.00 1.09 C ATOM 859 CG LEU A 57 2.746 14.888 -10.280 1.00 1.04 C ATOM 860 CD1 LEU A 57 3.529 13.854 -11.073 1.00 1.13 C ATOM 861 CD2 LEU A 57 2.656 16.193 -11.050 1.00 1.03 C ATOM 0 H LEU A 57 1.408 14.689 -7.424 1.00 0.96 H new ATOM 0 HA LEU A 57 0.518 16.319 -9.646 1.00 1.03 H new ATOM 0 HB2 LEU A 57 1.452 13.451 -9.365 1.00 1.09 H new ATOM 0 HB3 LEU A 57 0.850 14.097 -10.879 1.00 1.09 H new ATOM 0 HG LEU A 57 3.274 15.075 -9.345 1.00 1.04 H new ATOM 0 HD11 LEU A 57 4.521 14.244 -11.300 1.00 1.13 H new ATOM 0 HD12 LEU A 57 3.624 12.941 -10.486 1.00 1.13 H new ATOM 0 HD13 LEU A 57 3.004 13.634 -12.003 1.00 1.13 H new ATOM 0 HD21 LEU A 57 3.660 16.551 -11.278 1.00 1.03 H new ATOM 0 HD22 LEU A 57 2.109 16.031 -11.979 1.00 1.03 H new ATOM 0 HD23 LEU A 57 2.134 16.936 -10.447 1.00 1.03 H new ATOM 873 N ALA A 58 -1.745 15.404 -10.173 1.00 1.17 N ATOM 874 CA ALA A 58 -3.129 15.008 -10.358 1.00 1.30 C ATOM 875 C ALA A 58 -3.224 13.799 -11.276 1.00 1.40 C ATOM 876 O ALA A 58 -3.346 12.672 -10.804 1.00 2.04 O ATOM 877 CB ALA A 58 -3.947 16.170 -10.906 1.00 1.33 C ATOM 0 H ALA A 58 -1.422 16.126 -10.817 1.00 1.17 H new ATOM 0 HA ALA A 58 -3.540 14.728 -9.388 1.00 1.30 H new ATOM 0 HB1 ALA A 58 -4.982 15.856 -11.039 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -3.908 17.004 -10.206 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -3.537 16.483 -11.866 1.00 1.33 H new ATOM 1026 N LEU A 70 1.166 16.922 -17.463 1.00 1.49 N ATOM 1027 CA LEU A 70 0.113 16.587 -16.527 1.00 1.50 C ATOM 1028 C LEU A 70 0.055 17.621 -15.418 1.00 1.25 C ATOM 1029 O LEU A 70 1.061 17.886 -14.758 1.00 1.15 O ATOM 1030 CB LEU A 70 0.354 15.186 -15.956 1.00 1.71 C ATOM 1031 CG LEU A 70 0.549 14.095 -17.019 1.00 1.88 C ATOM 1032 CD1 LEU A 70 0.869 12.756 -16.395 1.00 2.30 C ATOM 1033 CD2 LEU A 70 -0.682 13.969 -17.899 1.00 2.29 C ATOM 0 HA LEU A 70 -0.846 16.589 -17.045 1.00 1.50 H new ATOM 0 HB2 LEU A 70 1.235 15.214 -15.315 1.00 1.71 H new ATOM 0 HB3 LEU A 70 -0.491 14.914 -15.324 1.00 1.71 H new ATOM 0 HG LEU A 70 1.397 14.397 -17.633 1.00 1.88 H new ATOM 0 HD11 LEU A 70 1.000 12.011 -17.180 1.00 2.30 H new ATOM 0 HD12 LEU A 70 1.788 12.836 -15.814 1.00 2.30 H new ATOM 0 HD13 LEU A 70 0.051 12.454 -15.741 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -0.519 13.190 -18.644 1.00 2.29 H new ATOM 0 HD22 LEU A 70 -1.544 13.709 -17.284 1.00 2.29 H new ATOM 0 HD23 LEU A 70 -0.869 14.918 -18.402 1.00 2.29 H new ATOM 1045 N PRO A 71 -1.123 18.227 -15.212 1.00 1.22 N ATOM 1046 CA PRO A 71 -1.301 19.304 -14.234 1.00 1.05 C ATOM 1047 C PRO A 71 -1.018 18.871 -12.799 1.00 0.97 C ATOM 1048 O PRO A 71 -1.245 17.717 -12.414 1.00 1.14 O ATOM 1049 CB PRO A 71 -2.771 19.700 -14.386 1.00 1.18 C ATOM 1050 CG PRO A 71 -3.424 18.543 -15.058 1.00 1.38 C ATOM 1051 CD PRO A 71 -2.374 17.917 -15.924 1.00 1.43 C ATOM 0 HA PRO A 71 -0.601 20.118 -14.421 1.00 1.05 H new ATOM 0 HB2 PRO A 71 -3.227 19.899 -13.416 1.00 1.18 H new ATOM 0 HB3 PRO A 71 -2.874 20.608 -14.979 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -3.801 17.829 -14.326 1.00 1.38 H new ATOM 0 HG3 PRO A 71 -4.277 18.869 -15.654 1.00 1.38 H new ATOM 0 HD2 PRO A 71 -2.524 16.842 -16.026 1.00 1.43 H new ATOM 0 HD3 PRO A 71 -2.379 18.336 -16.930 1.00 1.43 H new ATOM 1059 N ALA A 72 -0.518 19.811 -12.018 1.00 0.80 N ATOM 1060 CA ALA A 72 -0.243 19.579 -10.614 1.00 0.74 C ATOM 1061 C ALA A 72 -1.251 20.322 -9.749 1.00 0.72 C ATOM 1062 O ALA A 72 -1.592 21.474 -10.030 1.00 0.82 O ATOM 1063 CB ALA A 72 1.173 20.016 -10.272 1.00 0.70 C ATOM 0 H ALA A 72 -0.292 20.753 -12.338 1.00 0.80 H new ATOM 0 HA ALA A 72 -0.333 18.511 -10.414 1.00 0.74 H new ATOM 0 HB1 ALA A 72 1.364 19.835 -9.214 1.00 0.70 H new ATOM 0 HB2 ALA A 72 1.884 19.447 -10.871 1.00 0.70 H new ATOM 0 HB3 ALA A 72 1.287 21.079 -10.485 1.00 0.70 H new ATOM 1069 N GLU A 73 -1.720 19.661 -8.703 1.00 0.74 N ATOM 1070 CA GLU A 73 -2.699 20.251 -7.804 1.00 0.77 C ATOM 1071 C GLU A 73 -2.126 20.356 -6.400 1.00 0.69 C ATOM 1072 O GLU A 73 -1.246 19.575 -6.022 1.00 0.71 O ATOM 1073 CB GLU A 73 -3.992 19.428 -7.795 1.00 0.94 C ATOM 1074 CG GLU A 73 -4.702 19.408 -9.141 1.00 1.28 C ATOM 1075 CD GLU A 73 -6.017 18.657 -9.108 1.00 1.84 C ATOM 1076 OE1 GLU A 73 -6.021 17.482 -8.687 1.00 2.30 O ATOM 1077 OE2 GLU A 73 -7.053 19.235 -9.493 1.00 2.28 O ATOM 0 H GLU A 73 -1.438 18.713 -8.455 1.00 0.74 H new ATOM 0 HA GLU A 73 -2.936 21.253 -8.161 1.00 0.77 H new ATOM 0 HB2 GLU A 73 -3.761 18.405 -7.499 1.00 0.94 H new ATOM 0 HB3 GLU A 73 -4.667 19.834 -7.042 1.00 0.94 H new ATOM 0 HG2 GLU A 73 -4.884 20.433 -9.464 1.00 1.28 H new ATOM 0 HG3 GLU A 73 -4.048 18.951 -9.883 1.00 1.28 H new ATOM 1084 N ASN A 74 -2.627 21.328 -5.641 1.00 0.68 N ATOM 1085 CA ASN A 74 -2.158 21.586 -4.284 1.00 0.69 C ATOM 1086 C ASN A 74 -0.666 21.916 -4.291 1.00 0.59 C ATOM 1087 O ASN A 74 0.174 21.096 -3.914 1.00 0.66 O ATOM 1088 CB ASN A 74 -2.443 20.390 -3.368 1.00 0.81 C ATOM 1089 CG ASN A 74 -2.078 20.656 -1.920 1.00 1.39 C ATOM 1090 OD1 ASN A 74 -2.143 21.788 -1.446 1.00 1.81 O ATOM 1091 ND2 ASN A 74 -1.708 19.604 -1.207 1.00 2.01 N ATOM 0 H ASN A 74 -3.368 21.957 -5.950 1.00 0.68 H new ATOM 0 HA ASN A 74 -2.702 22.446 -3.893 1.00 0.69 H new ATOM 0 HB2 ASN A 74 -3.501 20.135 -3.430 1.00 0.81 H new ATOM 0 HB3 ASN A 74 -1.885 19.524 -3.725 1.00 0.81 H new ATOM 0 HD21 ASN A 74 -1.463 19.715 -0.223 1.00 2.01 H new ATOM 0 HD22 ASN A 74 -1.668 18.682 -1.641 1.00 2.01 H new ATOM 1098 N VAL A 75 -0.346 23.111 -4.769 1.00 0.66 N ATOM 1099 CA VAL A 75 1.032 23.569 -4.832 1.00 0.58 C ATOM 1100 C VAL A 75 1.295 24.596 -3.740 1.00 0.59 C ATOM 1101 O VAL A 75 0.770 25.709 -3.787 1.00 0.64 O ATOM 1102 CB VAL A 75 1.354 24.197 -6.208 1.00 0.56 C ATOM 1103 CG1 VAL A 75 2.830 24.557 -6.315 1.00 0.72 C ATOM 1104 CG2 VAL A 75 0.949 23.262 -7.341 1.00 0.80 C ATOM 0 H VAL A 75 -1.028 23.783 -5.120 1.00 0.66 H new ATOM 0 HA VAL A 75 1.675 22.701 -4.686 1.00 0.58 H new ATOM 0 HB VAL A 75 0.774 25.115 -6.297 1.00 0.56 H new ATOM 0 HG11 VAL A 75 3.027 24.996 -7.293 1.00 0.72 H new ATOM 0 HG12 VAL A 75 3.087 25.275 -5.536 1.00 0.72 H new ATOM 0 HG13 VAL A 75 3.434 23.658 -6.193 1.00 0.72 H new ATOM 0 HG21 VAL A 75 1.186 23.726 -8.298 1.00 0.80 H new ATOM 0 HG22 VAL A 75 1.493 22.322 -7.249 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -0.122 23.068 -7.287 1.00 0.80 H new ATOM 1114 N ARG A 76 2.103 24.221 -2.757 1.00 0.58 N ATOM 1115 CA ARG A 76 2.372 25.089 -1.618 1.00 0.62 C ATOM 1116 C ARG A 76 3.867 25.372 -1.489 1.00 0.55 C ATOM 1117 O ARG A 76 4.697 24.494 -1.726 1.00 0.52 O ATOM 1118 CB ARG A 76 1.854 24.441 -0.331 1.00 0.73 C ATOM 1119 CG ARG A 76 1.973 25.332 0.898 1.00 1.28 C ATOM 1120 CD ARG A 76 1.500 24.622 2.154 1.00 1.58 C ATOM 1121 NE ARG A 76 2.318 23.447 2.470 1.00 2.10 N ATOM 1122 CZ ARG A 76 2.453 22.944 3.699 1.00 2.75 C ATOM 1123 NH1 ARG A 76 1.850 23.529 4.726 1.00 3.11 N ATOM 1124 NH2 ARG A 76 3.195 21.858 3.905 1.00 3.51 N ATOM 0 H ARG A 76 2.583 23.322 -2.725 1.00 0.58 H new ATOM 0 HA ARG A 76 1.855 26.035 -1.781 1.00 0.62 H new ATOM 0 HB2 ARG A 76 0.808 24.167 -0.469 1.00 0.73 H new ATOM 0 HB3 ARG A 76 2.405 23.518 -0.153 1.00 0.73 H new ATOM 0 HG2 ARG A 76 3.010 25.642 1.024 1.00 1.28 H new ATOM 0 HG3 ARG A 76 1.386 26.238 0.749 1.00 1.28 H new ATOM 0 HD2 ARG A 76 1.526 25.317 2.993 1.00 1.58 H new ATOM 0 HD3 ARG A 76 0.462 24.316 2.026 1.00 1.58 H new ATOM 0 HE ARG A 76 2.813 22.987 1.706 1.00 2.10 H new ATOM 0 HH11 ARG A 76 1.283 24.364 4.577 1.00 3.11 H new ATOM 0 HH12 ARG A 76 1.954 23.144 5.665 1.00 3.11 H new ATOM 0 HH21 ARG A 76 3.665 21.405 3.121 1.00 3.51 H new ATOM 0 HH22 ARG A 76 3.294 21.479 4.847 1.00 3.51 H new ATOM 1138 N MET A 77 4.200 26.604 -1.124 1.00 0.63 N ATOM 1139 CA MET A 77 5.590 26.978 -0.868 1.00 0.60 C ATOM 1140 C MET A 77 6.066 26.421 0.469 1.00 0.70 C ATOM 1141 O MET A 77 5.293 26.337 1.426 1.00 0.91 O ATOM 1142 CB MET A 77 5.769 28.503 -0.859 1.00 0.72 C ATOM 1143 CG MET A 77 5.936 29.125 -2.237 1.00 0.80 C ATOM 1144 SD MET A 77 6.537 30.826 -2.160 1.00 1.12 S ATOM 1145 CE MET A 77 5.124 31.684 -1.479 1.00 0.86 C ATOM 0 H MET A 77 3.529 27.362 -0.998 1.00 0.63 H new ATOM 0 HA MET A 77 6.186 26.553 -1.676 1.00 0.60 H new ATOM 0 HB2 MET A 77 4.905 28.955 -0.372 1.00 0.72 H new ATOM 0 HB3 MET A 77 6.641 28.751 -0.254 1.00 0.72 H new ATOM 0 HG2 MET A 77 6.632 28.523 -2.822 1.00 0.80 H new ATOM 0 HG3 MET A 77 4.980 29.104 -2.760 1.00 0.80 H new ATOM 0 HE1 MET A 77 4.745 32.398 -2.210 1.00 0.86 H new ATOM 0 HE2 MET A 77 4.343 30.963 -1.237 1.00 0.86 H new ATOM 0 HE3 MET A 77 5.422 32.214 -0.574 1.00 0.86 H new ATOM 1155 N LEU A 78 7.331 26.036 0.527 1.00 0.65 N ATOM 1156 CA LEU A 78 7.942 25.617 1.783 1.00 0.83 C ATOM 1157 C LEU A 78 9.237 26.401 1.991 1.00 0.83 C ATOM 1158 O LEU A 78 9.739 27.014 1.046 1.00 0.93 O ATOM 1159 CB LEU A 78 8.212 24.097 1.800 1.00 0.99 C ATOM 1160 CG LEU A 78 9.401 23.619 0.960 1.00 1.05 C ATOM 1161 CD1 LEU A 78 9.987 22.348 1.550 1.00 1.49 C ATOM 1162 CD2 LEU A 78 8.978 23.372 -0.473 1.00 1.67 C ATOM 0 H LEU A 78 7.956 26.004 -0.279 1.00 0.65 H new ATOM 0 HA LEU A 78 7.252 25.828 2.600 1.00 0.83 H new ATOM 0 HB2 LEU A 78 8.374 23.788 2.833 1.00 0.99 H new ATOM 0 HB3 LEU A 78 7.316 23.584 1.451 1.00 0.99 H new ATOM 0 HG LEU A 78 10.161 24.400 0.971 1.00 1.05 H new ATOM 0 HD11 LEU A 78 10.831 22.020 0.943 1.00 1.49 H new ATOM 0 HD12 LEU A 78 10.326 22.542 2.568 1.00 1.49 H new ATOM 0 HD13 LEU A 78 9.225 21.568 1.564 1.00 1.49 H new ATOM 0 HD21 LEU A 78 9.837 23.033 -1.053 1.00 1.67 H new ATOM 0 HD22 LEU A 78 8.200 22.608 -0.496 1.00 1.67 H new ATOM 0 HD23 LEU A 78 8.592 24.296 -0.903 1.00 1.67 H new ATOM 1174 N PRO A 79 9.776 26.435 3.227 1.00 1.15 N ATOM 1175 CA PRO A 79 11.034 27.135 3.511 1.00 1.27 C ATOM 1176 C PRO A 79 12.224 26.560 2.751 1.00 1.13 C ATOM 1177 O PRO A 79 12.177 25.441 2.238 1.00 1.59 O ATOM 1178 CB PRO A 79 11.225 26.952 5.020 1.00 1.97 C ATOM 1179 CG PRO A 79 10.365 25.792 5.387 1.00 2.15 C ATOM 1180 CD PRO A 79 9.198 25.840 4.447 1.00 1.65 C ATOM 0 HA PRO A 79 10.983 28.178 3.197 1.00 1.27 H new ATOM 0 HB2 PRO A 79 12.270 26.760 5.264 1.00 1.97 H new ATOM 0 HB3 PRO A 79 10.930 27.848 5.565 1.00 1.97 H new ATOM 0 HG2 PRO A 79 10.910 24.853 5.287 1.00 2.15 H new ATOM 0 HG3 PRO A 79 10.036 25.861 6.424 1.00 2.15 H new ATOM 0 HD2 PRO A 79 8.792 24.846 4.258 1.00 1.65 H new ATOM 0 HD3 PRO A 79 8.384 26.446 4.845 1.00 1.65 H new ATOM 1188 N LYS A 80 13.297 27.337 2.696 1.00 1.09 N ATOM 1189 CA LYS A 80 14.492 26.968 1.969 1.00 1.37 C ATOM 1190 C LYS A 80 15.339 25.988 2.794 1.00 1.18 C ATOM 1191 O LYS A 80 14.948 25.607 3.899 1.00 1.19 O ATOM 1192 CB LYS A 80 15.265 28.257 1.646 1.00 1.96 C ATOM 1193 CG LYS A 80 16.452 28.082 0.717 1.00 2.65 C ATOM 1194 CD LYS A 80 17.058 29.417 0.311 1.00 3.44 C ATOM 1195 CE LYS A 80 17.490 30.234 1.519 1.00 4.04 C ATOM 1196 NZ LYS A 80 18.551 29.558 2.311 1.00 4.61 N ATOM 0 H LYS A 80 13.358 28.244 3.158 1.00 1.09 H new ATOM 0 HA LYS A 80 14.236 26.458 1.040 1.00 1.37 H new ATOM 0 HB2 LYS A 80 14.576 28.973 1.198 1.00 1.96 H new ATOM 0 HB3 LYS A 80 15.616 28.695 2.580 1.00 1.96 H new ATOM 0 HG2 LYS A 80 17.211 27.474 1.209 1.00 2.65 H new ATOM 0 HG3 LYS A 80 16.138 27.540 -0.175 1.00 2.65 H new ATOM 0 HD2 LYS A 80 17.918 29.244 -0.336 1.00 3.44 H new ATOM 0 HD3 LYS A 80 16.331 29.984 -0.270 1.00 3.44 H new ATOM 0 HE2 LYS A 80 17.853 31.206 1.186 1.00 4.04 H new ATOM 0 HE3 LYS A 80 16.626 30.418 2.157 1.00 4.04 H new ATOM 0 HZ1 LYS A 80 18.823 30.161 3.113 1.00 4.61 H new ATOM 0 HZ2 LYS A 80 18.192 28.649 2.667 1.00 4.61 H new ATOM 0 HZ3 LYS A 80 19.381 29.390 1.707 1.00 4.61 H new ATOM 1210 N ASN A 81 16.483 25.577 2.232 1.00 1.26 N ATOM 1211 CA ASN A 81 17.442 24.678 2.893 1.00 1.35 C ATOM 1212 C ASN A 81 16.969 23.232 2.839 1.00 1.23 C ATOM 1213 O ASN A 81 17.549 22.349 3.469 1.00 1.43 O ATOM 1214 CB ASN A 81 17.709 25.086 4.351 1.00 1.57 C ATOM 1215 CG ASN A 81 18.167 26.528 4.484 1.00 2.26 C ATOM 1216 OD1 ASN A 81 18.773 27.090 3.568 1.00 2.84 O ATOM 1217 ND2 ASN A 81 17.872 27.139 5.621 1.00 2.81 N ATOM 0 H ASN A 81 16.773 25.861 1.296 1.00 1.26 H new ATOM 0 HA ASN A 81 18.379 24.765 2.342 1.00 1.35 H new ATOM 0 HB2 ASN A 81 16.800 24.943 4.936 1.00 1.57 H new ATOM 0 HB3 ASN A 81 18.468 24.428 4.775 1.00 1.57 H new ATOM 0 HD21 ASN A 81 18.147 28.111 5.764 1.00 2.81 H new ATOM 0 HD22 ASN A 81 17.369 26.638 6.354 1.00 2.81 H new ATOM 1224 N SER A 82 15.919 22.995 2.073 1.00 1.01 N ATOM 1225 CA SER A 82 15.446 21.649 1.822 1.00 1.03 C ATOM 1226 C SER A 82 16.308 20.983 0.751 1.00 0.96 C ATOM 1227 O SER A 82 16.563 19.775 0.798 1.00 1.12 O ATOM 1228 CB SER A 82 13.990 21.710 1.378 1.00 1.08 C ATOM 1229 OG SER A 82 13.789 22.812 0.514 1.00 1.70 O ATOM 0 H SER A 82 15.375 23.725 1.612 1.00 1.01 H new ATOM 0 HA SER A 82 15.518 21.056 2.734 1.00 1.03 H new ATOM 0 HB2 SER A 82 13.718 20.785 0.869 1.00 1.08 H new ATOM 0 HB3 SER A 82 13.340 21.798 2.249 1.00 1.08 H new ATOM 0 HG SER A 82 12.980 22.666 -0.019 1.00 1.70 H new ATOM 1235 N ILE A 83 16.768 21.790 -0.200 1.00 0.83 N ATOM 1236 CA ILE A 83 17.593 21.306 -1.298 1.00 0.77 C ATOM 1237 C ILE A 83 19.045 21.210 -0.848 1.00 0.76 C ATOM 1238 O ILE A 83 19.596 22.171 -0.301 1.00 0.78 O ATOM 1239 CB ILE A 83 17.496 22.237 -2.531 1.00 0.76 C ATOM 1240 CG1 ILE A 83 16.047 22.665 -2.768 1.00 0.92 C ATOM 1241 CG2 ILE A 83 18.048 21.548 -3.773 1.00 0.79 C ATOM 1242 CD1 ILE A 83 15.069 21.521 -2.858 1.00 0.69 C ATOM 0 H ILE A 83 16.580 22.792 -0.230 1.00 0.83 H new ATOM 0 HA ILE A 83 17.226 20.320 -1.584 1.00 0.77 H new ATOM 0 HB ILE A 83 18.096 23.125 -2.332 1.00 0.76 H new ATOM 0 HG12 ILE A 83 15.739 23.328 -1.959 1.00 0.92 H new ATOM 0 HG13 ILE A 83 15.998 23.243 -3.691 1.00 0.92 H new ATOM 0 HG21 ILE A 83 17.970 22.221 -4.627 1.00 0.79 H new ATOM 0 HG22 ILE A 83 19.094 21.288 -3.610 1.00 0.79 H new ATOM 0 HG23 ILE A 83 17.476 20.642 -3.971 1.00 0.79 H new ATOM 0 HD11 ILE A 83 14.066 21.912 -3.027 1.00 0.69 H new ATOM 0 HD12 ILE A 83 15.348 20.868 -3.685 1.00 0.69 H new ATOM 0 HD13 ILE A 83 15.085 20.954 -1.927 1.00 0.69 H new ATOM 1254 N PRO A 84 19.678 20.041 -1.038 1.00 0.82 N ATOM 1255 CA PRO A 84 21.064 19.823 -0.628 1.00 0.89 C ATOM 1256 C PRO A 84 22.065 20.473 -1.575 1.00 0.83 C ATOM 1257 O PRO A 84 21.850 20.526 -2.789 1.00 0.82 O ATOM 1258 CB PRO A 84 21.205 18.304 -0.684 1.00 1.03 C ATOM 1259 CG PRO A 84 20.267 17.895 -1.761 1.00 1.03 C ATOM 1260 CD PRO A 84 19.096 18.835 -1.660 1.00 0.91 C ATOM 0 HA PRO A 84 21.271 20.259 0.349 1.00 0.89 H new ATOM 0 HB2 PRO A 84 22.229 18.006 -0.912 1.00 1.03 H new ATOM 0 HB3 PRO A 84 20.944 17.844 0.269 1.00 1.03 H new ATOM 0 HG2 PRO A 84 20.741 17.964 -2.740 1.00 1.03 H new ATOM 0 HG3 PRO A 84 19.950 16.860 -1.632 1.00 1.03 H new ATOM 0 HD2 PRO A 84 18.671 19.054 -2.639 1.00 0.91 H new ATOM 0 HD3 PRO A 84 18.295 18.415 -1.051 1.00 0.91 H new ATOM 1268 N GLN A 85 23.156 20.967 -1.014 1.00 0.88 N ATOM 1269 CA GLN A 85 24.255 21.473 -1.816 1.00 0.88 C ATOM 1270 C GLN A 85 25.378 20.448 -1.815 1.00 0.77 C ATOM 1271 O GLN A 85 25.740 19.945 -0.752 1.00 0.74 O ATOM 1272 CB GLN A 85 24.771 22.808 -1.269 1.00 1.06 C ATOM 1273 CG GLN A 85 23.759 23.940 -1.335 1.00 1.73 C ATOM 1274 CD GLN A 85 24.321 25.251 -0.819 1.00 2.21 C ATOM 1275 OE1 GLN A 85 24.896 26.034 -1.577 1.00 2.76 O ATOM 1276 NE2 GLN A 85 24.158 25.500 0.470 1.00 2.65 N ATOM 0 H GLN A 85 23.303 21.028 -0.007 1.00 0.88 H new ATOM 0 HA GLN A 85 23.900 21.642 -2.832 1.00 0.88 H new ATOM 0 HB2 GLN A 85 25.077 22.669 -0.232 1.00 1.06 H new ATOM 0 HB3 GLN A 85 25.661 23.098 -1.828 1.00 1.06 H new ATOM 0 HG2 GLN A 85 23.430 24.070 -2.366 1.00 1.73 H new ATOM 0 HG3 GLN A 85 22.879 23.671 -0.751 1.00 1.73 H new ATOM 0 HE21 GLN A 85 23.676 24.825 1.063 1.00 2.65 H new ATOM 0 HE22 GLN A 85 24.515 26.367 0.871 1.00 2.65 H new ATOM 1285 N PRO A 86 25.923 20.110 -3.000 1.00 0.81 N ATOM 1286 CA PRO A 86 26.956 19.076 -3.138 1.00 0.79 C ATOM 1287 C PRO A 86 28.046 19.178 -2.079 1.00 0.77 C ATOM 1288 O PRO A 86 28.670 20.232 -1.905 1.00 0.85 O ATOM 1289 CB PRO A 86 27.529 19.344 -4.527 1.00 0.88 C ATOM 1290 CG PRO A 86 26.387 19.912 -5.292 1.00 1.08 C ATOM 1291 CD PRO A 86 25.569 20.705 -4.302 1.00 0.95 C ATOM 0 HA PRO A 86 26.546 18.074 -3.010 1.00 0.79 H new ATOM 0 HB2 PRO A 86 28.366 20.042 -4.484 1.00 0.88 H new ATOM 0 HB3 PRO A 86 27.900 18.429 -4.988 1.00 0.88 H new ATOM 0 HG2 PRO A 86 26.740 20.549 -6.103 1.00 1.08 H new ATOM 0 HG3 PRO A 86 25.790 19.121 -5.745 1.00 1.08 H new ATOM 0 HD2 PRO A 86 25.816 21.766 -4.338 1.00 0.95 H new ATOM 0 HD3 PRO A 86 24.501 20.619 -4.505 1.00 0.95 H new ATOM 1299 N ALA A 87 28.258 18.081 -1.370 1.00 0.84 N ATOM 1300 CA ALA A 87 29.251 18.034 -0.314 1.00 0.93 C ATOM 1301 C ALA A 87 30.666 18.134 -0.874 1.00 0.90 C ATOM 1302 O ALA A 87 31.280 17.134 -1.250 1.00 0.98 O ATOM 1303 CB ALA A 87 29.086 16.751 0.483 1.00 1.10 C ATOM 0 H ALA A 87 27.751 17.207 -1.510 1.00 0.84 H new ATOM 0 HA ALA A 87 29.096 18.891 0.341 1.00 0.93 H new ATOM 0 HB1 ALA A 87 29.833 16.717 1.276 1.00 1.10 H new ATOM 0 HB2 ALA A 87 28.089 16.721 0.922 1.00 1.10 H new ATOM 0 HB3 ALA A 87 29.218 15.893 -0.177 1.00 1.10 H new ATOM 1309 N VAL A 88 31.161 19.359 -0.938 1.00 0.87 N ATOM 1310 CA VAL A 88 32.536 19.637 -1.308 1.00 0.88 C ATOM 1311 C VAL A 88 33.023 20.791 -0.438 1.00 1.02 C ATOM 1312 O VAL A 88 32.338 21.811 -0.330 1.00 1.23 O ATOM 1313 CB VAL A 88 32.684 20.011 -2.804 1.00 0.81 C ATOM 1314 CG1 VAL A 88 34.149 20.079 -3.190 1.00 0.87 C ATOM 1315 CG2 VAL A 88 31.947 19.025 -3.705 1.00 0.94 C ATOM 0 H VAL A 88 30.614 20.195 -0.732 1.00 0.87 H new ATOM 0 HA VAL A 88 33.131 18.737 -1.152 1.00 0.88 H new ATOM 0 HB VAL A 88 32.233 20.993 -2.944 1.00 0.81 H new ATOM 0 HG11 VAL A 88 34.236 20.343 -4.244 1.00 0.87 H new ATOM 0 HG12 VAL A 88 34.650 20.834 -2.584 1.00 0.87 H new ATOM 0 HG13 VAL A 88 34.616 19.109 -3.019 1.00 0.87 H new ATOM 0 HG21 VAL A 88 32.073 19.320 -4.747 1.00 0.94 H new ATOM 0 HG22 VAL A 88 32.354 18.024 -3.559 1.00 0.94 H new ATOM 0 HG23 VAL A 88 30.886 19.025 -3.454 1.00 0.94 H new ATOM 1325 N LEU A 89 34.180 20.633 0.195 1.00 1.09 N ATOM 1326 CA LEU A 89 34.613 21.578 1.223 1.00 1.27 C ATOM 1327 C LEU A 89 34.835 22.988 0.669 1.00 1.15 C ATOM 1328 O LEU A 89 34.140 23.925 1.067 1.00 1.29 O ATOM 1329 CB LEU A 89 35.892 21.076 1.898 1.00 1.54 C ATOM 1330 CG LEU A 89 35.759 19.752 2.656 1.00 2.14 C ATOM 1331 CD1 LEU A 89 37.098 19.345 3.255 1.00 2.87 C ATOM 1332 CD2 LEU A 89 34.697 19.860 3.746 1.00 2.45 C ATOM 0 H LEU A 89 34.831 19.868 0.018 1.00 1.09 H new ATOM 0 HA LEU A 89 33.809 21.641 1.956 1.00 1.27 H new ATOM 0 HB2 LEU A 89 36.664 20.963 1.137 1.00 1.54 H new ATOM 0 HB3 LEU A 89 36.239 21.840 2.594 1.00 1.54 H new ATOM 0 HG LEU A 89 35.448 18.982 1.950 1.00 2.14 H new ATOM 0 HD11 LEU A 89 36.986 18.402 3.790 1.00 2.87 H new ATOM 0 HD12 LEU A 89 37.832 19.225 2.458 1.00 2.87 H new ATOM 0 HD13 LEU A 89 37.437 20.116 3.946 1.00 2.87 H new ATOM 0 HD21 LEU A 89 34.618 18.909 4.273 1.00 2.45 H new ATOM 0 HD22 LEU A 89 34.977 20.643 4.451 1.00 2.45 H new ATOM 0 HD23 LEU A 89 33.736 20.106 3.294 1.00 2.45 H new ATOM 1344 N GLU A 90 35.790 23.155 -0.239 1.00 1.05 N ATOM 1345 CA GLU A 90 36.051 24.471 -0.805 1.00 1.13 C ATOM 1346 C GLU A 90 35.311 24.655 -2.125 1.00 1.04 C ATOM 1347 O GLU A 90 34.514 25.583 -2.285 1.00 1.34 O ATOM 1348 CB GLU A 90 37.555 24.672 -1.008 1.00 1.30 C ATOM 1349 CG GLU A 90 37.944 26.113 -1.297 1.00 1.98 C ATOM 1350 CD GLU A 90 37.531 27.054 -0.186 1.00 2.31 C ATOM 1351 OE1 GLU A 90 38.187 27.051 0.877 1.00 2.59 O ATOM 1352 OE2 GLU A 90 36.553 27.806 -0.371 1.00 2.84 O ATOM 0 H GLU A 90 36.387 22.408 -0.594 1.00 1.05 H new ATOM 0 HA GLU A 90 35.685 25.221 -0.103 1.00 1.13 H new ATOM 0 HB2 GLU A 90 38.082 24.335 -0.115 1.00 1.30 H new ATOM 0 HB3 GLU A 90 37.889 24.042 -1.832 1.00 1.30 H new ATOM 0 HG2 GLU A 90 39.023 26.174 -1.439 1.00 1.98 H new ATOM 0 HG3 GLU A 90 37.481 26.432 -2.231 1.00 1.98 H new ATOM 1359 N THR A 91 35.547 23.730 -3.051 1.00 0.84 N ATOM 1360 CA THR A 91 34.976 23.796 -4.391 1.00 0.77 C ATOM 1361 C THR A 91 35.627 22.738 -5.283 1.00 0.77 C ATOM 1362 O THR A 91 36.702 22.225 -4.959 1.00 0.95 O ATOM 1363 CB THR A 91 35.162 25.198 -5.021 1.00 0.81 C ATOM 1364 OG1 THR A 91 34.415 25.297 -6.236 1.00 1.42 O ATOM 1365 CG2 THR A 91 36.632 25.499 -5.296 1.00 1.41 C ATOM 0 H THR A 91 36.139 22.915 -2.893 1.00 0.84 H new ATOM 0 HA THR A 91 33.906 23.604 -4.310 1.00 0.77 H new ATOM 0 HB THR A 91 34.793 25.932 -4.305 1.00 0.81 H new ATOM 0 HG1 THR A 91 34.539 26.188 -6.625 1.00 1.42 H new ATOM 0 HG21 THR A 91 36.724 26.491 -5.738 1.00 1.41 H new ATOM 0 HG22 THR A 91 37.191 25.465 -4.361 1.00 1.41 H new ATOM 0 HG23 THR A 91 37.033 24.756 -5.986 1.00 1.41 H new ATOM 1373 N THR A 92 34.985 22.403 -6.395 1.00 0.69 N ATOM 1374 CA THR A 92 35.478 21.324 -7.245 1.00 0.73 C ATOM 1375 C THR A 92 36.128 21.847 -8.526 1.00 0.65 C ATOM 1376 O THR A 92 37.298 21.575 -8.788 1.00 0.69 O ATOM 1377 CB THR A 92 34.348 20.346 -7.619 1.00 0.81 C ATOM 1378 OG1 THR A 92 33.549 20.057 -6.467 1.00 1.30 O ATOM 1379 CG2 THR A 92 34.911 19.046 -8.178 1.00 0.82 C ATOM 0 H THR A 92 34.133 22.855 -6.727 1.00 0.69 H new ATOM 0 HA THR A 92 36.235 20.801 -6.661 1.00 0.73 H new ATOM 0 HB THR A 92 33.734 20.820 -8.385 1.00 0.81 H new ATOM 0 HG1 THR A 92 32.896 19.360 -6.688 1.00 1.30 H new ATOM 0 HG21 THR A 92 34.091 18.375 -8.433 1.00 0.82 H new ATOM 0 HG22 THR A 92 35.498 19.258 -9.072 1.00 0.82 H new ATOM 0 HG23 THR A 92 35.547 18.573 -7.430 1.00 0.82 H new ATOM 1387 N HIS A 93 35.373 22.603 -9.321 1.00 0.59 N ATOM 1388 CA HIS A 93 35.838 23.008 -10.648 1.00 0.54 C ATOM 1389 C HIS A 93 35.492 24.454 -10.963 1.00 0.49 C ATOM 1390 O HIS A 93 34.757 25.116 -10.226 1.00 0.63 O ATOM 1391 CB HIS A 93 35.245 22.113 -11.747 1.00 0.68 C ATOM 1392 CG HIS A 93 35.789 20.718 -11.775 1.00 0.62 C ATOM 1393 ND1 HIS A 93 35.177 19.536 -11.506 1.00 0.98 N flip ATOM 1394 CD2 HIS A 93 37.089 20.407 -12.108 1.00 0.72 C flip ATOM 1395 CE1 HIS A 93 36.094 18.502 -11.670 1.00 1.29 C flip ATOM 1396 NE2 HIS A 93 37.225 19.078 -12.031 1.00 1.10 N flip ATOM 0 H HIS A 93 34.445 22.945 -9.073 1.00 0.59 H new ATOM 0 HA HIS A 93 36.923 22.901 -10.630 1.00 0.54 H new ATOM 0 HB2 HIS A 93 34.164 22.065 -11.615 1.00 0.68 H new ATOM 0 HB3 HIS A 93 35.427 22.580 -12.715 1.00 0.68 H new ATOM 0 HD2 HIS A 93 37.861 21.111 -12.382 1.00 0.72 H new ATOM 0 HE1 HIS A 93 35.917 17.446 -11.531 1.00 1.29 H new ATOM 0 HE2 HIS A 93 38.091 18.575 -12.226 1.00 1.10 H new ATOM 1404 N ASN A 94 36.024 24.923 -12.080 1.00 0.45 N ATOM 1405 CA ASN A 94 35.723 26.245 -12.598 1.00 0.48 C ATOM 1406 C ASN A 94 35.534 26.166 -14.107 1.00 0.51 C ATOM 1407 O ASN A 94 35.917 25.177 -14.738 1.00 0.78 O ATOM 1408 CB ASN A 94 36.846 27.239 -12.262 1.00 0.57 C ATOM 1409 CG ASN A 94 38.157 26.934 -12.973 1.00 0.67 C ATOM 1410 OD1 ASN A 94 38.501 25.778 -13.224 1.00 1.36 O ATOM 1411 ND2 ASN A 94 38.897 27.980 -13.309 1.00 1.19 N ATOM 0 H ASN A 94 36.680 24.394 -12.655 1.00 0.45 H new ATOM 0 HA ASN A 94 34.805 26.601 -12.130 1.00 0.48 H new ATOM 0 HB2 ASN A 94 36.522 28.245 -12.529 1.00 0.57 H new ATOM 0 HB3 ASN A 94 37.016 27.234 -11.185 1.00 0.57 H new ATOM 0 HD21 ASN A 94 39.785 27.843 -13.792 1.00 1.19 H new ATOM 0 HD22 ASN A 94 38.579 28.923 -13.084 1.00 1.19 H new ATOM 1418 N GLY A 95 34.925 27.190 -14.677 1.00 0.45 N ATOM 1419 CA GLY A 95 34.733 27.234 -16.111 1.00 0.49 C ATOM 1420 C GLY A 95 33.944 28.451 -16.523 1.00 0.47 C ATOM 1421 O GLY A 95 33.523 29.235 -15.671 1.00 0.53 O ATOM 0 H GLY A 95 34.558 27.996 -14.171 1.00 0.45 H new ATOM 0 HA2 GLY A 95 35.702 27.241 -16.609 1.00 0.49 H new ATOM 0 HA3 GLY A 95 34.213 26.334 -16.438 1.00 0.49 H new ATOM 1425 N VAL A 96 33.750 28.624 -17.819 1.00 0.47 N ATOM 1426 CA VAL A 96 32.972 29.728 -18.317 1.00 0.48 C ATOM 1427 C VAL A 96 31.633 29.235 -18.841 1.00 0.45 C ATOM 1428 O VAL A 96 31.452 28.044 -19.102 1.00 0.43 O ATOM 1429 CB VAL A 96 33.716 30.487 -19.436 1.00 0.55 C ATOM 1430 CG1 VAL A 96 35.128 30.851 -19.005 1.00 1.21 C ATOM 1431 CG2 VAL A 96 33.734 29.690 -20.730 1.00 1.37 C ATOM 0 H VAL A 96 34.124 28.009 -18.541 1.00 0.47 H new ATOM 0 HA VAL A 96 32.810 30.415 -17.487 1.00 0.48 H new ATOM 0 HB VAL A 96 33.170 31.412 -19.623 1.00 0.55 H new ATOM 0 HG11 VAL A 96 35.629 31.385 -19.813 1.00 1.21 H new ATOM 0 HG12 VAL A 96 35.086 31.487 -18.121 1.00 1.21 H new ATOM 0 HG13 VAL A 96 35.683 29.942 -18.772 1.00 1.21 H new ATOM 0 HG21 VAL A 96 34.266 30.253 -21.497 1.00 1.37 H new ATOM 0 HG22 VAL A 96 34.238 28.738 -20.564 1.00 1.37 H new ATOM 0 HG23 VAL A 96 32.711 29.506 -21.058 1.00 1.37 H new ATOM 1441 N VAL A 97 30.696 30.149 -18.971 1.00 0.50 N ATOM 1442 CA VAL A 97 29.400 29.834 -19.546 1.00 0.53 C ATOM 1443 C VAL A 97 29.554 29.468 -21.019 1.00 0.60 C ATOM 1444 O VAL A 97 30.149 30.224 -21.791 1.00 0.67 O ATOM 1445 CB VAL A 97 28.419 31.017 -19.401 1.00 0.60 C ATOM 1446 CG1 VAL A 97 27.137 30.760 -20.176 1.00 0.69 C ATOM 1447 CG2 VAL A 97 28.109 31.277 -17.934 1.00 0.57 C ATOM 0 H VAL A 97 30.806 31.122 -18.686 1.00 0.50 H new ATOM 0 HA VAL A 97 28.991 28.983 -19.001 1.00 0.53 H new ATOM 0 HB VAL A 97 28.896 31.904 -19.819 1.00 0.60 H new ATOM 0 HG11 VAL A 97 26.463 31.609 -20.057 1.00 0.69 H new ATOM 0 HG12 VAL A 97 27.371 30.628 -21.232 1.00 0.69 H new ATOM 0 HG13 VAL A 97 26.656 29.859 -19.795 1.00 0.69 H new ATOM 0 HG21 VAL A 97 27.416 32.114 -17.851 1.00 0.57 H new ATOM 0 HG22 VAL A 97 27.658 30.388 -17.494 1.00 0.57 H new ATOM 0 HG23 VAL A 97 29.031 31.516 -17.404 1.00 0.57 H new ATOM 1457 N ALA A 98 29.022 28.307 -21.397 1.00 0.61 N ATOM 1458 CA ALA A 98 29.177 27.804 -22.754 1.00 0.70 C ATOM 1459 C ALA A 98 28.307 28.576 -23.738 1.00 0.83 C ATOM 1460 O ALA A 98 28.763 28.927 -24.827 1.00 0.89 O ATOM 1461 CB ALA A 98 28.868 26.316 -22.817 1.00 0.76 C ATOM 0 H ALA A 98 28.481 27.700 -20.781 1.00 0.61 H new ATOM 0 HA ALA A 98 30.217 27.953 -23.043 1.00 0.70 H new ATOM 0 HB1 ALA A 98 28.990 25.962 -23.841 1.00 0.76 H new ATOM 0 HB2 ALA A 98 29.550 25.775 -22.162 1.00 0.76 H new ATOM 0 HB3 ALA A 98 27.841 26.144 -22.494 1.00 0.76 H new ATOM 1467 N ARG A 99 27.050 28.834 -23.370 1.00 0.97 N ATOM 1468 CA ARG A 99 26.160 29.620 -24.224 1.00 1.17 C ATOM 1469 C ARG A 99 24.853 29.957 -23.518 1.00 1.38 C ATOM 1470 O ARG A 99 24.342 29.160 -22.733 1.00 1.41 O ATOM 1471 CB ARG A 99 25.857 28.861 -25.520 1.00 1.25 C ATOM 1472 CG ARG A 99 25.235 27.489 -25.305 1.00 1.85 C ATOM 1473 CD ARG A 99 25.048 26.751 -26.621 1.00 2.04 C ATOM 1474 NE ARG A 99 24.165 27.479 -27.533 1.00 2.61 N ATOM 1475 CZ ARG A 99 24.467 27.760 -28.802 1.00 2.99 C ATOM 1476 NH1 ARG A 99 25.638 27.384 -29.311 1.00 2.82 N ATOM 1477 NH2 ARG A 99 23.605 28.426 -29.561 1.00 3.92 N ATOM 0 H ARG A 99 26.630 28.514 -22.497 1.00 0.97 H new ATOM 0 HA ARG A 99 26.674 30.553 -24.456 1.00 1.17 H new ATOM 0 HB2 ARG A 99 25.184 29.462 -26.131 1.00 1.25 H new ATOM 0 HB3 ARG A 99 26.782 28.744 -26.085 1.00 1.25 H new ATOM 0 HG2 ARG A 99 25.870 26.900 -24.643 1.00 1.85 H new ATOM 0 HG3 ARG A 99 24.271 27.599 -24.808 1.00 1.85 H new ATOM 0 HD2 ARG A 99 26.018 26.603 -27.096 1.00 2.04 H new ATOM 0 HD3 ARG A 99 24.634 25.762 -26.427 1.00 2.04 H new ATOM 0 HE ARG A 99 23.262 27.791 -27.176 1.00 2.61 H new ATOM 0 HH11 ARG A 99 26.308 26.879 -28.731 1.00 2.82 H new ATOM 0 HH12 ARG A 99 25.865 27.601 -30.281 1.00 2.82 H new ATOM 0 HH21 ARG A 99 22.709 28.724 -29.174 1.00 3.92 H new ATOM 0 HH22 ARG A 99 23.838 28.640 -30.531 1.00 3.92 H new ATOM 1688 N ALA A 112 18.043 24.512 -18.983 1.00 1.24 N ATOM 1689 CA ALA A 112 18.987 24.455 -17.872 1.00 1.02 C ATOM 1690 C ALA A 112 20.409 24.803 -18.316 1.00 0.97 C ATOM 1691 O ALA A 112 21.278 25.038 -17.485 1.00 1.15 O ATOM 1692 CB ALA A 112 18.952 23.082 -17.221 1.00 1.06 C ATOM 0 HA ALA A 112 18.682 25.203 -17.140 1.00 1.02 H new ATOM 0 HB1 ALA A 112 19.661 23.053 -16.394 1.00 1.06 H new ATOM 0 HB2 ALA A 112 17.948 22.883 -16.846 1.00 1.06 H new ATOM 0 HB3 ALA A 112 19.222 22.324 -17.956 1.00 1.06 H new ATOM 1698 N GLY A 113 20.636 24.833 -19.630 1.00 0.94 N ATOM 1699 CA GLY A 113 21.900 25.307 -20.166 1.00 0.89 C ATOM 1700 C GLY A 113 23.075 24.430 -19.793 1.00 0.79 C ATOM 1701 O GLY A 113 22.910 23.397 -19.137 1.00 0.83 O ATOM 0 H GLY A 113 19.961 24.535 -20.335 1.00 0.94 H new ATOM 0 HA2 GLY A 113 21.828 25.363 -21.252 1.00 0.89 H new ATOM 0 HA3 GLY A 113 22.083 26.319 -19.806 1.00 0.89 H new ATOM 1705 N LEU A 114 24.275 24.841 -20.192 1.00 0.73 N ATOM 1706 CA LEU A 114 25.459 24.045 -19.935 1.00 0.66 C ATOM 1707 C LEU A 114 26.690 24.929 -19.805 1.00 0.58 C ATOM 1708 O LEU A 114 26.844 25.918 -20.522 1.00 0.63 O ATOM 1709 CB LEU A 114 25.652 22.996 -21.039 1.00 0.74 C ATOM 1710 CG LEU A 114 24.632 21.852 -21.009 1.00 0.83 C ATOM 1711 CD1 LEU A 114 24.601 21.105 -22.326 1.00 0.93 C ATOM 1712 CD2 LEU A 114 24.950 20.886 -19.881 1.00 0.80 C ATOM 0 H LEU A 114 24.447 25.714 -20.690 1.00 0.73 H new ATOM 0 HA LEU A 114 25.321 23.523 -18.988 1.00 0.66 H new ATOM 0 HB2 LEU A 114 25.596 23.491 -22.008 1.00 0.74 H new ATOM 0 HB3 LEU A 114 26.654 22.576 -20.953 1.00 0.74 H new ATOM 0 HG LEU A 114 23.649 22.293 -20.840 1.00 0.83 H new ATOM 0 HD11 LEU A 114 23.868 20.301 -22.271 1.00 0.93 H new ATOM 0 HD12 LEU A 114 24.327 21.791 -23.127 1.00 0.93 H new ATOM 0 HD13 LEU A 114 25.586 20.685 -22.529 1.00 0.93 H new ATOM 0 HD21 LEU A 114 24.216 20.080 -19.874 1.00 0.80 H new ATOM 0 HD22 LEU A 114 25.946 20.469 -20.029 1.00 0.80 H new ATOM 0 HD23 LEU A 114 24.917 21.415 -18.929 1.00 0.80 H new ATOM 1724 N ILE A 115 27.536 24.578 -18.856 1.00 0.49 N ATOM 1725 CA ILE A 115 28.789 25.273 -18.625 1.00 0.42 C ATOM 1726 C ILE A 115 29.935 24.444 -19.186 1.00 0.43 C ATOM 1727 O ILE A 115 29.969 23.223 -19.000 1.00 0.47 O ATOM 1728 CB ILE A 115 29.009 25.511 -17.110 1.00 0.34 C ATOM 1729 CG1 ILE A 115 27.859 26.344 -16.538 1.00 0.36 C ATOM 1730 CG2 ILE A 115 30.345 26.197 -16.846 1.00 0.31 C ATOM 1731 CD1 ILE A 115 27.796 26.347 -15.026 1.00 0.28 C ATOM 0 H ILE A 115 27.373 23.798 -18.219 1.00 0.49 H new ATOM 0 HA ILE A 115 28.754 26.241 -19.125 1.00 0.42 H new ATOM 0 HB ILE A 115 29.029 24.541 -16.613 1.00 0.34 H new ATOM 0 HG12 ILE A 115 27.958 27.371 -16.890 1.00 0.36 H new ATOM 0 HG13 ILE A 115 26.917 25.962 -16.930 1.00 0.36 H new ATOM 0 HG21 ILE A 115 30.470 26.350 -15.774 1.00 0.31 H new ATOM 0 HG22 ILE A 115 31.155 25.571 -17.220 1.00 0.31 H new ATOM 0 HG23 ILE A 115 30.366 27.161 -17.355 1.00 0.31 H new ATOM 0 HD11 ILE A 115 26.955 26.959 -14.698 1.00 0.28 H new ATOM 0 HD12 ILE A 115 27.665 25.327 -14.665 1.00 0.28 H new ATOM 0 HD13 ILE A 115 28.722 26.758 -14.624 1.00 0.28 H new ATOM 1743 N GLU A 116 30.854 25.086 -19.890 1.00 0.43 N ATOM 1744 CA GLU A 116 32.002 24.377 -20.414 1.00 0.47 C ATOM 1745 C GLU A 116 33.092 24.330 -19.350 1.00 0.45 C ATOM 1746 O GLU A 116 33.661 25.350 -18.956 1.00 0.49 O ATOM 1747 CB GLU A 116 32.502 24.993 -21.726 1.00 0.54 C ATOM 1748 CG GLU A 116 32.941 26.436 -21.626 1.00 0.84 C ATOM 1749 CD GLU A 116 33.587 26.922 -22.906 1.00 1.03 C ATOM 1750 OE1 GLU A 116 34.790 26.660 -23.109 1.00 1.14 O ATOM 1751 OE2 GLU A 116 32.896 27.574 -23.718 1.00 1.40 O ATOM 0 H GLU A 116 30.826 26.082 -20.107 1.00 0.43 H new ATOM 0 HA GLU A 116 31.708 23.356 -20.657 1.00 0.47 H new ATOM 0 HB2 GLU A 116 33.339 24.399 -22.094 1.00 0.54 H new ATOM 0 HB3 GLU A 116 31.708 24.921 -22.470 1.00 0.54 H new ATOM 0 HG2 GLU A 116 32.079 27.062 -21.394 1.00 0.84 H new ATOM 0 HG3 GLU A 116 33.645 26.545 -20.801 1.00 0.84 H new ATOM 1758 N ILE A 117 33.345 23.129 -18.867 1.00 0.47 N ATOM 1759 CA ILE A 117 34.194 22.932 -17.707 1.00 0.50 C ATOM 1760 C ILE A 117 35.643 22.875 -18.123 1.00 0.56 C ATOM 1761 O ILE A 117 35.972 22.295 -19.157 1.00 0.63 O ATOM 1762 CB ILE A 117 33.801 21.632 -16.979 1.00 0.53 C ATOM 1763 CG1 ILE A 117 32.282 21.561 -16.883 1.00 0.48 C ATOM 1764 CG2 ILE A 117 34.428 21.558 -15.592 1.00 0.60 C ATOM 1765 CD1 ILE A 117 31.669 22.740 -16.152 1.00 0.41 C ATOM 0 H ILE A 117 32.971 22.267 -19.264 1.00 0.47 H new ATOM 0 HA ILE A 117 34.058 23.773 -17.027 1.00 0.50 H new ATOM 0 HB ILE A 117 34.176 20.781 -17.548 1.00 0.53 H new ATOM 0 HG12 ILE A 117 31.864 21.509 -17.888 1.00 0.48 H new ATOM 0 HG13 ILE A 117 32.000 20.640 -16.373 1.00 0.48 H new ATOM 0 HG21 ILE A 117 34.130 20.628 -15.107 1.00 0.60 H new ATOM 0 HG22 ILE A 117 35.514 21.588 -15.681 1.00 0.60 H new ATOM 0 HG23 ILE A 117 34.089 22.404 -14.994 1.00 0.60 H new ATOM 0 HD11 ILE A 117 30.586 22.625 -16.120 1.00 0.41 H new ATOM 0 HD12 ILE A 117 32.059 22.781 -15.135 1.00 0.41 H new ATOM 0 HD13 ILE A 117 31.921 23.663 -16.674 1.00 0.41 H new ATOM 1777 N LEU A 118 36.504 23.466 -17.319 1.00 0.61 N ATOM 1778 CA LEU A 118 37.889 23.566 -17.649 1.00 0.70 C ATOM 1779 C LEU A 118 38.619 22.306 -17.216 1.00 0.79 C ATOM 1780 O LEU A 118 38.380 21.776 -16.131 1.00 0.88 O ATOM 1781 CB LEU A 118 38.460 24.793 -16.943 1.00 0.84 C ATOM 1782 CG LEU A 118 39.941 24.987 -17.079 1.00 0.96 C ATOM 1783 CD1 LEU A 118 40.286 25.406 -18.502 1.00 1.15 C ATOM 1784 CD2 LEU A 118 40.422 26.011 -16.061 1.00 1.21 C ATOM 0 H LEU A 118 36.252 23.885 -16.424 1.00 0.61 H new ATOM 0 HA LEU A 118 38.016 23.671 -18.726 1.00 0.70 H new ATOM 0 HB2 LEU A 118 37.958 25.680 -17.331 1.00 0.84 H new ATOM 0 HB3 LEU A 118 38.216 24.727 -15.883 1.00 0.84 H new ATOM 0 HG LEU A 118 40.453 24.046 -16.878 1.00 0.96 H new ATOM 0 HD11 LEU A 118 41.364 25.544 -18.589 1.00 1.15 H new ATOM 0 HD12 LEU A 118 39.962 24.632 -19.198 1.00 1.15 H new ATOM 0 HD13 LEU A 118 39.780 26.342 -18.739 1.00 1.15 H new ATOM 0 HD21 LEU A 118 41.498 26.148 -16.164 1.00 1.21 H new ATOM 0 HD22 LEU A 118 39.917 26.961 -16.234 1.00 1.21 H new ATOM 0 HD23 LEU A 118 40.196 25.658 -15.055 1.00 1.21 H new ATOM 1796 N ASP A 119 39.489 21.834 -18.092 1.00 0.83 N ATOM 1797 CA ASP A 119 40.354 20.696 -17.815 1.00 0.95 C ATOM 1798 C ASP A 119 41.189 20.953 -16.561 1.00 1.01 C ATOM 1799 O ASP A 119 41.462 22.108 -16.227 1.00 0.98 O ATOM 1800 CB ASP A 119 41.244 20.468 -19.040 1.00 1.05 C ATOM 1801 CG ASP A 119 42.321 19.428 -18.826 1.00 1.65 C ATOM 1802 OD1 ASP A 119 42.034 18.231 -19.047 1.00 2.29 O ATOM 1803 OD2 ASP A 119 43.430 19.794 -18.396 1.00 2.22 O ATOM 0 H ASP A 119 39.617 22.231 -19.023 1.00 0.83 H new ATOM 0 HA ASP A 119 39.759 19.803 -17.626 1.00 0.95 H new ATOM 0 HB2 ASP A 119 40.619 20.163 -19.880 1.00 1.05 H new ATOM 0 HB3 ASP A 119 41.713 21.412 -19.318 1.00 1.05 H new ATOM 1808 N GLU A 120 41.588 19.888 -15.863 1.00 1.17 N ATOM 1809 CA GLU A 120 42.326 20.024 -14.608 1.00 1.32 C ATOM 1810 C GLU A 120 43.625 20.805 -14.789 1.00 1.33 C ATOM 1811 O GLU A 120 44.110 21.443 -13.853 1.00 1.44 O ATOM 1812 CB GLU A 120 42.624 18.654 -13.990 1.00 1.55 C ATOM 1813 CG GLU A 120 43.060 17.608 -15.000 1.00 1.63 C ATOM 1814 CD GLU A 120 41.960 16.619 -15.314 1.00 1.96 C ATOM 1815 OE1 GLU A 120 42.057 15.454 -14.872 1.00 1.89 O ATOM 1816 OE2 GLU A 120 40.978 17.009 -15.971 1.00 2.78 O ATOM 0 H GLU A 120 41.412 18.924 -16.146 1.00 1.17 H new ATOM 0 HA GLU A 120 41.686 20.587 -13.929 1.00 1.32 H new ATOM 0 HB2 GLU A 120 43.405 18.767 -13.238 1.00 1.55 H new ATOM 0 HB3 GLU A 120 41.733 18.297 -13.473 1.00 1.55 H new ATOM 0 HG2 GLU A 120 43.374 18.103 -15.919 1.00 1.63 H new ATOM 0 HG3 GLU A 120 43.927 17.073 -14.614 1.00 1.63 H new ATOM 1823 N LEU A 121 44.184 20.773 -15.990 1.00 1.28 N ATOM 1824 CA LEU A 121 45.406 21.508 -16.267 1.00 1.34 C ATOM 1825 C LEU A 121 45.085 22.849 -16.918 1.00 1.21 C ATOM 1826 O LEU A 121 45.967 23.492 -17.492 1.00 1.27 O ATOM 1827 CB LEU A 121 46.356 20.703 -17.169 1.00 1.45 C ATOM 1828 CG LEU A 121 46.905 19.394 -16.578 1.00 1.65 C ATOM 1829 CD1 LEU A 121 47.011 19.468 -15.062 1.00 1.77 C ATOM 1830 CD2 LEU A 121 46.061 18.203 -17.006 1.00 1.65 C ATOM 0 H LEU A 121 43.813 20.249 -16.783 1.00 1.28 H new ATOM 0 HA LEU A 121 45.908 21.682 -15.315 1.00 1.34 H new ATOM 0 HB2 LEU A 121 45.832 20.468 -18.095 1.00 1.45 H new ATOM 0 HB3 LEU A 121 47.200 21.340 -17.433 1.00 1.45 H new ATOM 0 HG LEU A 121 47.911 19.254 -16.973 1.00 1.65 H new ATOM 0 HD11 LEU A 121 47.402 18.526 -14.678 1.00 1.77 H new ATOM 0 HD12 LEU A 121 47.682 20.280 -14.783 1.00 1.77 H new ATOM 0 HD13 LEU A 121 46.024 19.651 -14.637 1.00 1.77 H new ATOM 0 HD21 LEU A 121 46.473 17.291 -16.573 1.00 1.65 H new ATOM 0 HD22 LEU A 121 45.037 18.339 -16.659 1.00 1.65 H new ATOM 0 HD23 LEU A 121 46.068 18.124 -18.093 1.00 1.65 H new ATOM 1842 N ARG A 122 43.811 23.260 -16.830 1.00 1.11 N ATOM 1843 CA ARG A 122 43.359 24.544 -17.373 1.00 1.08 C ATOM 1844 C ARG A 122 43.521 24.540 -18.897 1.00 1.13 C ATOM 1845 O ARG A 122 43.757 25.567 -19.525 1.00 1.46 O ATOM 1846 CB ARG A 122 44.161 25.680 -16.707 1.00 1.24 C ATOM 1847 CG ARG A 122 43.648 27.099 -16.950 1.00 1.80 C ATOM 1848 CD ARG A 122 44.504 27.847 -17.967 1.00 2.04 C ATOM 1849 NE ARG A 122 45.929 27.620 -17.744 1.00 2.50 N ATOM 1850 CZ ARG A 122 46.771 28.522 -17.252 1.00 3.32 C ATOM 1851 NH1 ARG A 122 46.343 29.732 -16.913 1.00 3.73 N ATOM 1852 NH2 ARG A 122 48.050 28.204 -17.090 1.00 4.14 N ATOM 0 H ARG A 122 43.073 22.715 -16.384 1.00 1.11 H new ATOM 0 HA ARG A 122 42.303 24.704 -17.156 1.00 1.08 H new ATOM 0 HB2 ARG A 122 44.180 25.502 -15.632 1.00 1.24 H new ATOM 0 HB3 ARG A 122 45.192 25.623 -17.058 1.00 1.24 H new ATOM 0 HG2 ARG A 122 42.618 27.057 -17.304 1.00 1.80 H new ATOM 0 HG3 ARG A 122 43.640 27.648 -16.009 1.00 1.80 H new ATOM 0 HD2 ARG A 122 44.237 27.525 -18.974 1.00 2.04 H new ATOM 0 HD3 ARG A 122 44.292 28.914 -17.907 1.00 2.04 H new ATOM 0 HE ARG A 122 46.305 26.703 -17.983 1.00 2.50 H new ATOM 0 HH11 ARG A 122 45.360 29.976 -17.029 1.00 3.73 H new ATOM 0 HH12 ARG A 122 46.998 30.417 -16.536 1.00 3.73 H new ATOM 0 HH21 ARG A 122 48.380 27.273 -17.343 1.00 4.14 H new ATOM 0 HH22 ARG A 122 48.703 28.891 -16.713 1.00 4.14 H new ATOM 1866 N THR A 123 43.370 23.366 -19.488 1.00 1.08 N ATOM 1867 CA THR A 123 43.551 23.205 -20.923 1.00 1.20 C ATOM 1868 C THR A 123 42.336 23.727 -21.704 1.00 1.15 C ATOM 1869 O THR A 123 42.318 24.876 -22.151 1.00 1.38 O ATOM 1870 CB THR A 123 43.811 21.726 -21.282 1.00 1.40 C ATOM 1871 OG1 THR A 123 44.737 21.154 -20.343 1.00 1.86 O ATOM 1872 CG2 THR A 123 44.370 21.600 -22.693 1.00 1.87 C ATOM 0 H THR A 123 43.122 22.508 -18.995 1.00 1.08 H new ATOM 0 HA THR A 123 44.421 23.796 -21.208 1.00 1.20 H new ATOM 0 HB THR A 123 42.863 21.189 -21.236 1.00 1.40 H new ATOM 0 HG1 THR A 123 44.245 20.795 -19.576 1.00 1.86 H new ATOM 0 HG21 THR A 123 44.545 20.549 -22.923 1.00 1.87 H new ATOM 0 HG22 THR A 123 43.656 22.013 -23.405 1.00 1.87 H new ATOM 0 HG23 THR A 123 45.310 22.148 -22.762 1.00 1.87 H new ATOM 1880 N THR A 124 41.309 22.894 -21.839 1.00 1.01 N ATOM 1881 CA THR A 124 40.127 23.250 -22.614 1.00 1.03 C ATOM 1882 C THR A 124 38.860 22.757 -21.925 1.00 0.89 C ATOM 1883 O THR A 124 38.904 22.342 -20.769 1.00 0.85 O ATOM 1884 CB THR A 124 40.202 22.654 -24.036 1.00 1.26 C ATOM 1885 OG1 THR A 124 40.712 21.311 -23.981 1.00 1.54 O ATOM 1886 CG2 THR A 124 41.078 23.513 -24.941 1.00 1.53 C ATOM 0 H THR A 124 41.272 21.965 -21.420 1.00 1.01 H new ATOM 0 HA THR A 124 40.095 24.337 -22.685 1.00 1.03 H new ATOM 0 HB THR A 124 39.196 22.636 -24.454 1.00 1.26 H new ATOM 0 HG1 THR A 124 40.755 20.940 -24.887 1.00 1.54 H new ATOM 0 HG21 THR A 124 41.115 23.072 -25.937 1.00 1.53 H new ATOM 0 HG22 THR A 124 40.660 24.518 -25.004 1.00 1.53 H new ATOM 0 HG23 THR A 124 42.086 23.564 -24.530 1.00 1.53 H new ATOM 1894 N VAL A 125 37.736 22.832 -22.629 1.00 0.90 N ATOM 1895 CA VAL A 125 36.483 22.282 -22.131 1.00 0.82 C ATOM 1896 C VAL A 125 36.568 20.758 -22.080 1.00 0.86 C ATOM 1897 O VAL A 125 37.116 20.134 -22.991 1.00 0.96 O ATOM 1898 CB VAL A 125 35.282 22.706 -23.016 1.00 0.82 C ATOM 1899 CG1 VAL A 125 35.522 22.346 -24.479 1.00 1.17 C ATOM 1900 CG2 VAL A 125 33.990 22.069 -22.520 1.00 1.29 C ATOM 0 H VAL A 125 37.668 23.269 -23.548 1.00 0.90 H new ATOM 0 HA VAL A 125 36.321 22.678 -21.128 1.00 0.82 H new ATOM 0 HB VAL A 125 35.184 23.789 -22.943 1.00 0.82 H new ATOM 0 HG11 VAL A 125 34.664 22.655 -25.075 1.00 1.17 H new ATOM 0 HG12 VAL A 125 36.416 22.857 -24.837 1.00 1.17 H new ATOM 0 HG13 VAL A 125 35.658 21.268 -24.571 1.00 1.17 H new ATOM 0 HG21 VAL A 125 33.162 22.382 -23.157 1.00 1.29 H new ATOM 0 HG22 VAL A 125 34.083 20.984 -22.553 1.00 1.29 H new ATOM 0 HG23 VAL A 125 33.798 22.386 -21.495 1.00 1.29 H new ATOM 1910 N ILE A 126 36.064 20.157 -21.008 1.00 0.82 N ATOM 1911 CA ILE A 126 36.082 18.706 -20.904 1.00 0.90 C ATOM 1912 C ILE A 126 34.894 18.099 -21.634 1.00 0.93 C ATOM 1913 O ILE A 126 35.046 17.489 -22.692 1.00 1.03 O ATOM 1914 CB ILE A 126 36.014 18.261 -19.429 1.00 0.89 C ATOM 1915 CG1 ILE A 126 37.135 18.902 -18.618 1.00 0.87 C ATOM 1916 CG2 ILE A 126 36.090 16.745 -19.324 1.00 1.00 C ATOM 1917 CD1 ILE A 126 36.921 18.789 -17.124 1.00 0.87 C ATOM 0 H ILE A 126 35.646 20.642 -20.214 1.00 0.82 H new ATOM 0 HA ILE A 126 37.013 18.362 -21.354 1.00 0.90 H new ATOM 0 HB ILE A 126 35.060 18.592 -19.020 1.00 0.89 H new ATOM 0 HG12 ILE A 126 38.082 18.430 -18.881 1.00 0.87 H new ATOM 0 HG13 ILE A 126 37.217 19.954 -18.890 1.00 0.87 H new ATOM 0 HG21 ILE A 126 36.041 16.450 -18.276 1.00 1.00 H new ATOM 0 HG22 ILE A 126 35.255 16.300 -19.866 1.00 1.00 H new ATOM 0 HG23 ILE A 126 37.029 16.397 -19.755 1.00 1.00 H new ATOM 0 HD11 ILE A 126 37.751 19.263 -16.601 1.00 0.87 H new ATOM 0 HD12 ILE A 126 35.989 19.285 -16.851 1.00 0.87 H new ATOM 0 HD13 ILE A 126 36.868 17.737 -16.843 1.00 0.87 H new ATOM 1929 N SER A 127 33.706 18.286 -21.076 1.00 0.87 N ATOM 1930 CA SER A 127 32.494 17.816 -21.718 1.00 0.92 C ATOM 1931 C SER A 127 31.381 18.867 -21.666 1.00 0.84 C ATOM 1932 O SER A 127 31.216 19.667 -22.588 1.00 0.85 O ATOM 1933 CB SER A 127 32.050 16.510 -21.055 1.00 0.99 C ATOM 1934 OG SER A 127 31.979 16.648 -19.642 1.00 1.56 O ATOM 0 H SER A 127 33.559 18.758 -20.184 1.00 0.87 H new ATOM 0 HA SER A 127 32.703 17.634 -22.772 1.00 0.92 H new ATOM 0 HB2 SER A 127 31.075 16.215 -21.443 1.00 0.99 H new ATOM 0 HB3 SER A 127 32.749 15.714 -21.310 1.00 0.99 H new ATOM 0 HG SER A 127 31.691 15.800 -19.245 1.00 1.56 H new ATOM 1940 N GLN A 128 30.645 18.861 -20.555 1.00 0.79 N ATOM 1941 CA GLN A 128 29.537 19.782 -20.319 1.00 0.74 C ATOM 1942 C GLN A 128 28.976 19.555 -18.919 1.00 0.69 C ATOM 1943 O GLN A 128 28.837 18.409 -18.494 1.00 0.73 O ATOM 1944 CB GLN A 128 28.423 19.570 -21.354 1.00 0.86 C ATOM 1945 CG GLN A 128 27.948 18.126 -21.443 1.00 1.02 C ATOM 1946 CD GLN A 128 26.657 17.976 -22.221 1.00 1.43 C ATOM 1947 OE1 GLN A 128 25.568 18.004 -21.647 1.00 2.08 O ATOM 1948 NE2 GLN A 128 26.765 17.814 -23.530 1.00 1.88 N ATOM 0 H GLN A 128 30.804 18.209 -19.787 1.00 0.79 H new ATOM 0 HA GLN A 128 29.909 20.802 -20.410 1.00 0.74 H new ATOM 0 HB2 GLN A 128 27.576 20.208 -21.102 1.00 0.86 H new ATOM 0 HB3 GLN A 128 28.781 19.888 -22.333 1.00 0.86 H new ATOM 0 HG2 GLN A 128 28.723 17.523 -21.916 1.00 1.02 H new ATOM 0 HG3 GLN A 128 27.807 17.733 -20.436 1.00 1.02 H new ATOM 0 HE21 GLN A 128 27.686 17.796 -23.967 1.00 1.88 H new ATOM 0 HE22 GLN A 128 25.927 17.707 -24.101 1.00 1.88 H new ATOM 1957 N HIS A 129 28.673 20.623 -18.193 1.00 0.63 N ATOM 1958 CA HIS A 129 27.963 20.485 -16.921 1.00 0.60 C ATOM 1959 C HIS A 129 26.702 21.326 -16.930 1.00 0.58 C ATOM 1960 O HIS A 129 26.725 22.493 -17.317 1.00 0.54 O ATOM 1961 CB HIS A 129 28.821 20.886 -15.717 1.00 0.54 C ATOM 1962 CG HIS A 129 29.916 19.921 -15.360 1.00 0.58 C ATOM 1963 ND1 HIS A 129 30.415 18.852 -16.035 1.00 0.58 N flip ATOM 1964 CD2 HIS A 129 30.662 20.016 -14.205 1.00 0.65 C flip ATOM 1965 CE1 HIS A 129 31.456 18.294 -15.305 1.00 0.65 C flip ATOM 1966 NE2 HIS A 129 31.567 19.030 -14.217 1.00 0.68 N flip ATOM 0 H HIS A 129 28.902 21.582 -18.454 1.00 0.63 H new ATOM 0 HA HIS A 129 27.716 19.429 -16.817 1.00 0.60 H new ATOM 0 HB2 HIS A 129 29.268 21.859 -15.918 1.00 0.54 H new ATOM 0 HB3 HIS A 129 28.170 21.007 -14.852 1.00 0.54 H new ATOM 0 HD1 HIS A 129 30.078 18.513 -16.936 1.00 0.58 H new ATOM 0 HD2 HIS A 129 30.538 20.755 -13.428 1.00 0.65 H new ATOM 0 HE1 HIS A 129 32.052 17.434 -15.573 1.00 0.65 H new ATOM 1974 N GLU A 130 25.610 20.722 -16.503 1.00 0.64 N ATOM 1975 CA GLU A 130 24.312 21.377 -16.491 1.00 0.64 C ATOM 1976 C GLU A 130 24.133 22.166 -15.197 1.00 0.56 C ATOM 1977 O GLU A 130 24.695 21.794 -14.160 1.00 0.54 O ATOM 1978 CB GLU A 130 23.231 20.304 -16.608 1.00 0.77 C ATOM 1979 CG GLU A 130 21.913 20.789 -17.174 1.00 0.82 C ATOM 1980 CD GLU A 130 20.825 19.750 -17.010 1.00 0.98 C ATOM 1981 OE1 GLU A 130 20.453 19.105 -18.014 1.00 1.18 O ATOM 1982 OE2 GLU A 130 20.373 19.544 -15.862 1.00 1.19 O ATOM 0 H GLU A 130 25.595 19.764 -16.154 1.00 0.64 H new ATOM 0 HA GLU A 130 24.238 22.073 -17.326 1.00 0.64 H new ATOM 0 HB2 GLU A 130 23.606 19.498 -17.238 1.00 0.77 H new ATOM 0 HB3 GLU A 130 23.052 19.880 -15.620 1.00 0.77 H new ATOM 0 HG2 GLU A 130 21.617 21.710 -16.672 1.00 0.82 H new ATOM 0 HG3 GLU A 130 22.035 21.027 -18.231 1.00 0.82 H new ATOM 1989 N PHE A 131 23.364 23.251 -15.248 1.00 0.53 N ATOM 1990 CA PHE A 131 23.119 24.051 -14.052 1.00 0.46 C ATOM 1991 C PHE A 131 21.623 24.183 -13.757 1.00 0.51 C ATOM 1992 O PHE A 131 20.803 24.317 -14.663 1.00 0.74 O ATOM 1993 CB PHE A 131 23.789 25.437 -14.138 1.00 0.42 C ATOM 1994 CG PHE A 131 23.463 26.244 -15.363 1.00 0.48 C ATOM 1995 CD1 PHE A 131 22.383 27.111 -15.378 1.00 0.60 C ATOM 1996 CD2 PHE A 131 24.260 26.157 -16.492 1.00 0.46 C ATOM 1997 CE1 PHE A 131 22.103 27.872 -16.498 1.00 0.70 C ATOM 1998 CE2 PHE A 131 23.986 26.911 -17.613 1.00 0.56 C ATOM 1999 CZ PHE A 131 22.906 27.773 -17.618 1.00 0.68 C ATOM 0 H PHE A 131 22.906 23.593 -16.093 1.00 0.53 H new ATOM 0 HA PHE A 131 23.577 23.517 -13.219 1.00 0.46 H new ATOM 0 HB2 PHE A 131 23.502 26.014 -13.259 1.00 0.42 H new ATOM 0 HB3 PHE A 131 24.870 25.301 -14.092 1.00 0.42 H new ATOM 0 HD1 PHE A 131 21.752 27.194 -14.505 1.00 0.60 H new ATOM 0 HD2 PHE A 131 25.108 25.489 -16.494 1.00 0.46 H new ATOM 0 HE1 PHE A 131 21.257 28.543 -16.497 1.00 0.70 H new ATOM 0 HE2 PHE A 131 24.615 26.828 -18.487 1.00 0.56 H new ATOM 0 HZ PHE A 131 22.690 28.367 -18.494 1.00 0.68 H new ATOM 2009 N GLY A 132 21.288 24.122 -12.476 1.00 0.48 N ATOM 2010 CA GLY A 132 19.908 24.236 -12.034 1.00 0.51 C ATOM 2011 C GLY A 132 19.564 25.649 -11.606 1.00 0.50 C ATOM 2012 O GLY A 132 20.452 26.421 -11.249 1.00 0.47 O ATOM 0 H GLY A 132 21.960 23.993 -11.720 1.00 0.48 H new ATOM 0 HA2 GLY A 132 19.242 23.929 -12.841 1.00 0.51 H new ATOM 0 HA3 GLY A 132 19.736 23.553 -11.202 1.00 0.51 H new ATOM 2016 N ILE A 133 18.286 26.011 -11.678 1.00 0.54 N ATOM 2017 CA ILE A 133 17.839 27.344 -11.259 1.00 0.55 C ATOM 2018 C ILE A 133 18.213 27.629 -9.799 1.00 0.54 C ATOM 2019 O ILE A 133 18.328 28.786 -9.388 1.00 0.56 O ATOM 2020 CB ILE A 133 16.315 27.504 -11.442 1.00 0.60 C ATOM 2021 CG1 ILE A 133 15.880 28.959 -11.225 1.00 0.64 C ATOM 2022 CG2 ILE A 133 15.540 26.576 -10.516 1.00 0.61 C ATOM 2023 CD1 ILE A 133 16.269 29.890 -12.354 1.00 0.67 C ATOM 0 H ILE A 133 17.541 25.405 -12.021 1.00 0.54 H new ATOM 0 HA ILE A 133 18.350 28.065 -11.897 1.00 0.55 H new ATOM 0 HB ILE A 133 16.084 27.225 -12.470 1.00 0.60 H new ATOM 0 HG12 ILE A 133 14.798 28.989 -11.098 1.00 0.64 H new ATOM 0 HG13 ILE A 133 16.320 29.325 -10.297 1.00 0.64 H new ATOM 0 HG21 ILE A 133 14.470 26.716 -10.672 1.00 0.61 H new ATOM 0 HG22 ILE A 133 15.806 25.541 -10.732 1.00 0.61 H new ATOM 0 HG23 ILE A 133 15.788 26.806 -9.480 1.00 0.61 H new ATOM 0 HD11 ILE A 133 15.927 30.900 -12.127 1.00 0.67 H new ATOM 0 HD12 ILE A 133 17.353 29.891 -12.468 1.00 0.67 H new ATOM 0 HD13 ILE A 133 15.807 29.550 -13.281 1.00 0.67 H new ATOM 2035 N THR A 134 18.399 26.570 -9.024 1.00 0.57 N ATOM 2036 CA THR A 134 18.839 26.688 -7.642 1.00 0.61 C ATOM 2037 C THR A 134 20.351 26.862 -7.572 1.00 0.57 C ATOM 2038 O THR A 134 20.884 27.443 -6.631 1.00 0.61 O ATOM 2039 CB THR A 134 18.431 25.446 -6.843 1.00 0.71 C ATOM 2040 OG1 THR A 134 18.758 24.268 -7.595 1.00 1.35 O ATOM 2041 CG2 THR A 134 16.945 25.466 -6.545 1.00 0.86 C ATOM 0 H THR A 134 18.250 25.610 -9.334 1.00 0.57 H new ATOM 0 HA THR A 134 18.360 27.567 -7.210 1.00 0.61 H new ATOM 0 HB THR A 134 18.973 25.443 -5.897 1.00 0.71 H new ATOM 0 HG1 THR A 134 17.935 23.854 -7.929 1.00 1.35 H new ATOM 0 HG21 THR A 134 16.676 24.575 -5.977 1.00 0.86 H new ATOM 0 HG22 THR A 134 16.703 26.355 -5.963 1.00 0.86 H new ATOM 0 HG23 THR A 134 16.386 25.482 -7.481 1.00 0.86 H new ATOM 2049 N SER A 135 21.028 26.359 -8.591 1.00 0.54 N ATOM 2050 CA SER A 135 22.469 26.472 -8.698 1.00 0.57 C ATOM 2051 C SER A 135 22.853 27.896 -9.071 1.00 0.46 C ATOM 2052 O SER A 135 23.920 28.383 -8.700 1.00 0.44 O ATOM 2053 CB SER A 135 22.970 25.499 -9.757 1.00 0.72 C ATOM 2054 OG SER A 135 22.519 24.185 -9.482 1.00 1.10 O ATOM 0 H SER A 135 20.592 25.861 -9.367 1.00 0.54 H new ATOM 0 HA SER A 135 22.926 26.229 -7.739 1.00 0.57 H new ATOM 0 HB2 SER A 135 22.619 25.811 -10.740 1.00 0.72 H new ATOM 0 HB3 SER A 135 24.059 25.516 -9.788 1.00 0.72 H new ATOM 0 HG SER A 135 23.183 23.538 -9.799 1.00 1.10 H new ATOM 2060 N LEU A 136 21.958 28.551 -9.804 1.00 0.45 N ATOM 2061 CA LEU A 136 22.147 29.933 -10.233 1.00 0.43 C ATOM 2062 C LEU A 136 21.906 30.920 -9.092 1.00 0.47 C ATOM 2063 O LEU A 136 20.971 31.713 -9.149 1.00 0.53 O ATOM 2064 CB LEU A 136 21.243 30.268 -11.421 1.00 0.48 C ATOM 2065 CG LEU A 136 21.578 29.545 -12.726 1.00 0.81 C ATOM 2066 CD1 LEU A 136 20.627 29.981 -13.831 1.00 1.46 C ATOM 2067 CD2 LEU A 136 23.027 29.807 -13.132 1.00 1.24 C ATOM 0 H LEU A 136 21.080 28.138 -10.118 1.00 0.45 H new ATOM 0 HA LEU A 136 23.187 30.030 -10.546 1.00 0.43 H new ATOM 0 HB2 LEU A 136 20.214 30.033 -11.150 1.00 0.48 H new ATOM 0 HB3 LEU A 136 21.289 31.342 -11.599 1.00 0.48 H new ATOM 0 HG LEU A 136 21.458 28.473 -12.567 1.00 0.81 H new ATOM 0 HD11 LEU A 136 20.878 29.458 -14.754 1.00 1.46 H new ATOM 0 HD12 LEU A 136 19.603 29.742 -13.545 1.00 1.46 H new ATOM 0 HD13 LEU A 136 20.719 31.056 -13.987 1.00 1.46 H new ATOM 0 HD21 LEU A 136 23.244 29.283 -14.063 1.00 1.24 H new ATOM 0 HD22 LEU A 136 23.177 30.877 -13.274 1.00 1.24 H new ATOM 0 HD23 LEU A 136 23.695 29.448 -12.349 1.00 1.24 H new ATOM 2079 N VAL A 137 22.694 30.801 -8.029 1.00 0.49 N ATOM 2080 CA VAL A 137 22.595 31.696 -6.870 1.00 0.60 C ATOM 2081 C VAL A 137 22.409 33.160 -7.300 1.00 0.65 C ATOM 2082 O VAL A 137 21.514 33.852 -6.813 1.00 0.77 O ATOM 2083 CB VAL A 137 23.853 31.584 -5.978 1.00 0.63 C ATOM 2084 CG1 VAL A 137 23.727 32.464 -4.744 1.00 0.82 C ATOM 2085 CG2 VAL A 137 24.102 30.135 -5.581 1.00 0.59 C ATOM 0 H VAL A 137 23.417 30.087 -7.941 1.00 0.49 H new ATOM 0 HA VAL A 137 21.718 31.384 -6.302 1.00 0.60 H new ATOM 0 HB VAL A 137 24.708 31.935 -6.556 1.00 0.63 H new ATOM 0 HG11 VAL A 137 24.625 32.366 -4.134 1.00 0.82 H new ATOM 0 HG12 VAL A 137 23.607 33.504 -5.049 1.00 0.82 H new ATOM 0 HG13 VAL A 137 22.858 32.154 -4.163 1.00 0.82 H new ATOM 0 HG21 VAL A 137 24.991 30.077 -4.954 1.00 0.59 H new ATOM 0 HG22 VAL A 137 23.243 29.757 -5.028 1.00 0.59 H new ATOM 0 HG23 VAL A 137 24.250 29.533 -6.477 1.00 0.59 H new ATOM 2095 N ASN A 138 23.236 33.609 -8.234 1.00 0.59 N ATOM 2096 CA ASN A 138 23.179 34.984 -8.729 1.00 0.66 C ATOM 2097 C ASN A 138 22.430 35.061 -10.064 1.00 0.58 C ATOM 2098 O ASN A 138 22.767 35.864 -10.924 1.00 0.60 O ATOM 2099 CB ASN A 138 24.592 35.566 -8.891 1.00 0.76 C ATOM 2100 CG ASN A 138 25.422 34.842 -9.937 1.00 1.36 C ATOM 2101 OD1 ASN A 138 25.334 33.624 -10.093 1.00 2.08 O ATOM 2102 ND2 ASN A 138 26.231 35.589 -10.671 1.00 2.17 N ATOM 0 H ASN A 138 23.961 33.038 -8.669 1.00 0.59 H new ATOM 0 HA ASN A 138 22.636 35.575 -7.991 1.00 0.66 H new ATOM 0 HB2 ASN A 138 24.515 36.619 -9.163 1.00 0.76 H new ATOM 0 HB3 ASN A 138 25.108 35.521 -7.932 1.00 0.76 H new ATOM 0 HD21 ASN A 138 26.807 35.158 -11.394 1.00 2.17 H new ATOM 0 HD22 ASN A 138 26.278 36.596 -10.514 1.00 2.17 H new ATOM 2109 N LYS A 139 21.399 34.230 -10.204 1.00 0.55 N ATOM 2110 CA LYS A 139 20.636 34.076 -11.456 1.00 0.56 C ATOM 2111 C LYS A 139 20.205 35.402 -12.097 1.00 0.66 C ATOM 2112 O LYS A 139 19.976 35.460 -13.306 1.00 0.76 O ATOM 2113 CB LYS A 139 19.390 33.221 -11.195 1.00 0.62 C ATOM 2114 CG LYS A 139 18.374 33.878 -10.269 1.00 0.75 C ATOM 2115 CD LYS A 139 17.344 32.881 -9.754 1.00 0.96 C ATOM 2116 CE LYS A 139 17.971 31.877 -8.799 1.00 0.74 C ATOM 2117 NZ LYS A 139 16.953 31.017 -8.147 1.00 1.39 N ATOM 0 H LYS A 139 21.061 33.635 -9.448 1.00 0.55 H new ATOM 0 HA LYS A 139 21.312 33.594 -12.162 1.00 0.56 H new ATOM 0 HB2 LYS A 139 18.908 32.998 -12.147 1.00 0.62 H new ATOM 0 HB3 LYS A 139 19.698 32.269 -10.763 1.00 0.62 H new ATOM 0 HG2 LYS A 139 18.893 34.332 -9.425 1.00 0.75 H new ATOM 0 HG3 LYS A 139 17.866 34.682 -10.801 1.00 0.75 H new ATOM 0 HD2 LYS A 139 16.541 33.415 -9.247 1.00 0.96 H new ATOM 0 HD3 LYS A 139 16.894 32.353 -10.595 1.00 0.96 H new ATOM 0 HE2 LYS A 139 18.678 31.252 -9.344 1.00 0.74 H new ATOM 0 HE3 LYS A 139 18.539 32.409 -8.035 1.00 0.74 H new ATOM 0 HZ1 LYS A 139 17.013 31.130 -7.115 1.00 1.39 H new ATOM 0 HZ2 LYS A 139 16.005 31.295 -8.471 1.00 1.39 H new ATOM 0 HZ3 LYS A 139 17.127 30.023 -8.397 1.00 1.39 H new ATOM 2131 N ARG A 140 20.078 36.456 -11.299 1.00 0.73 N ATOM 2132 CA ARG A 140 19.598 37.736 -11.814 1.00 0.87 C ATOM 2133 C ARG A 140 20.732 38.518 -12.474 1.00 0.86 C ATOM 2134 O ARG A 140 20.498 39.519 -13.157 1.00 1.01 O ATOM 2135 CB ARG A 140 18.961 38.565 -10.693 1.00 1.03 C ATOM 2136 CG ARG A 140 19.960 39.222 -9.755 1.00 1.11 C ATOM 2137 CD ARG A 140 19.256 40.035 -8.682 1.00 1.39 C ATOM 2138 NE ARG A 140 20.183 40.868 -7.918 1.00 1.65 N ATOM 2139 CZ ARG A 140 19.941 41.320 -6.684 1.00 2.04 C ATOM 2140 NH1 ARG A 140 18.830 40.974 -6.047 1.00 2.31 N ATOM 2141 NH2 ARG A 140 20.812 42.122 -6.093 1.00 2.46 N ATOM 0 H ARG A 140 20.298 36.452 -10.303 1.00 0.73 H new ATOM 0 HA ARG A 140 18.839 37.531 -12.569 1.00 0.87 H new ATOM 0 HB2 ARG A 140 18.337 39.339 -11.139 1.00 1.03 H new ATOM 0 HB3 ARG A 140 18.303 37.921 -10.110 1.00 1.03 H new ATOM 0 HG2 ARG A 140 20.580 38.457 -9.287 1.00 1.11 H new ATOM 0 HG3 ARG A 140 20.627 39.868 -10.325 1.00 1.11 H new ATOM 0 HD2 ARG A 140 18.501 40.669 -9.147 1.00 1.39 H new ATOM 0 HD3 ARG A 140 18.733 39.361 -8.003 1.00 1.39 H new ATOM 0 HE ARG A 140 21.070 41.120 -8.354 1.00 1.65 H new ATOM 0 HH11 ARG A 140 18.153 40.359 -6.499 1.00 2.31 H new ATOM 0 HH12 ARG A 140 18.652 41.323 -5.105 1.00 2.31 H new ATOM 0 HH21 ARG A 140 21.666 42.394 -6.579 1.00 2.46 H new ATOM 0 HH22 ARG A 140 20.629 42.468 -5.151 1.00 2.46 H new ATOM 2155 N ASP A 141 21.954 38.048 -12.268 1.00 0.73 N ATOM 2156 CA ASP A 141 23.134 38.680 -12.846 1.00 0.75 C ATOM 2157 C ASP A 141 23.165 38.443 -14.348 1.00 0.72 C ATOM 2158 O ASP A 141 22.697 37.410 -14.831 1.00 0.75 O ATOM 2159 CB ASP A 141 24.409 38.119 -12.204 1.00 0.74 C ATOM 2160 CG ASP A 141 25.653 38.884 -12.603 1.00 1.24 C ATOM 2161 OD1 ASP A 141 25.868 39.987 -12.076 1.00 1.89 O ATOM 2162 OD2 ASP A 141 26.412 38.382 -13.457 1.00 1.57 O ATOM 0 H ASP A 141 22.156 37.225 -11.701 1.00 0.73 H new ATOM 0 HA ASP A 141 23.086 39.752 -12.652 1.00 0.75 H new ATOM 0 HB2 ASP A 141 24.305 38.144 -11.119 1.00 0.74 H new ATOM 0 HB3 ASP A 141 24.524 37.073 -12.489 1.00 0.74 H new ATOM 2167 N LEU A 142 23.693 39.400 -15.091 1.00 0.85 N ATOM 2168 CA LEU A 142 23.798 39.255 -16.532 1.00 0.92 C ATOM 2169 C LEU A 142 25.012 38.418 -16.883 1.00 0.80 C ATOM 2170 O LEU A 142 26.108 38.932 -17.115 1.00 1.03 O ATOM 2171 CB LEU A 142 23.866 40.613 -17.217 1.00 1.16 C ATOM 2172 CG LEU A 142 22.635 41.497 -17.023 1.00 2.05 C ATOM 2173 CD1 LEU A 142 22.750 42.740 -17.878 1.00 2.56 C ATOM 2174 CD2 LEU A 142 21.353 40.749 -17.364 1.00 2.88 C ATOM 0 H LEU A 142 24.054 40.280 -14.723 1.00 0.85 H new ATOM 0 HA LEU A 142 22.903 38.746 -16.892 1.00 0.92 H new ATOM 0 HB2 LEU A 142 24.740 41.147 -16.845 1.00 1.16 H new ATOM 0 HB3 LEU A 142 24.018 40.457 -18.285 1.00 1.16 H new ATOM 0 HG LEU A 142 22.589 41.782 -15.972 1.00 2.05 H new ATOM 0 HD11 LEU A 142 21.868 43.364 -17.733 1.00 2.56 H new ATOM 0 HD12 LEU A 142 23.641 43.298 -17.590 1.00 2.56 H new ATOM 0 HD13 LEU A 142 22.824 42.454 -18.927 1.00 2.56 H new ATOM 0 HD21 LEU A 142 20.497 41.407 -17.215 1.00 2.88 H new ATOM 0 HD22 LEU A 142 21.386 40.426 -18.405 1.00 2.88 H new ATOM 0 HD23 LEU A 142 21.257 39.877 -16.717 1.00 2.88 H new ATOM 2186 N LEU A 143 24.797 37.123 -16.904 1.00 0.90 N ATOM 2187 CA LEU A 143 25.867 36.165 -17.096 1.00 0.81 C ATOM 2188 C LEU A 143 25.841 35.625 -18.520 1.00 0.88 C ATOM 2189 O LEU A 143 24.937 34.882 -18.899 1.00 0.97 O ATOM 2190 CB LEU A 143 25.716 35.034 -16.078 1.00 0.70 C ATOM 2191 CG LEU A 143 26.998 34.272 -15.732 1.00 0.60 C ATOM 2192 CD1 LEU A 143 28.078 35.229 -15.253 1.00 0.65 C ATOM 2193 CD2 LEU A 143 26.717 33.226 -14.663 1.00 0.58 C ATOM 0 H LEU A 143 23.875 36.701 -16.789 1.00 0.90 H new ATOM 0 HA LEU A 143 26.829 36.653 -16.942 1.00 0.81 H new ATOM 0 HB2 LEU A 143 25.304 35.451 -15.159 1.00 0.70 H new ATOM 0 HB3 LEU A 143 24.985 34.322 -16.460 1.00 0.70 H new ATOM 0 HG LEU A 143 27.353 33.771 -16.633 1.00 0.60 H new ATOM 0 HD11 LEU A 143 28.981 34.668 -15.012 1.00 0.65 H new ATOM 0 HD12 LEU A 143 28.299 35.951 -16.039 1.00 0.65 H new ATOM 0 HD13 LEU A 143 27.730 35.755 -14.364 1.00 0.65 H new ATOM 0 HD21 LEU A 143 27.637 32.691 -14.426 1.00 0.58 H new ATOM 0 HD22 LEU A 143 26.340 33.716 -13.765 1.00 0.58 H new ATOM 0 HD23 LEU A 143 25.972 32.521 -15.031 1.00 0.58 H new ATOM 2205 N GLN A 144 26.827 36.025 -19.309 1.00 0.90 N ATOM 2206 CA GLN A 144 26.885 35.665 -20.722 1.00 1.00 C ATOM 2207 C GLN A 144 27.929 34.586 -20.965 1.00 0.92 C ATOM 2208 O GLN A 144 28.573 34.113 -20.028 1.00 0.84 O ATOM 2209 CB GLN A 144 27.230 36.893 -21.562 1.00 1.21 C ATOM 2210 CG GLN A 144 28.548 37.539 -21.169 1.00 1.27 C ATOM 2211 CD GLN A 144 29.024 38.553 -22.186 1.00 1.47 C ATOM 2212 OE1 GLN A 144 28.693 39.734 -22.104 1.00 1.71 O ATOM 2213 NE2 GLN A 144 29.814 38.101 -23.147 1.00 1.77 N ATOM 0 H GLN A 144 27.605 36.604 -18.993 1.00 0.90 H new ATOM 0 HA GLN A 144 25.906 35.282 -21.012 1.00 1.00 H new ATOM 0 HB2 GLN A 144 27.273 36.606 -22.613 1.00 1.21 H new ATOM 0 HB3 GLN A 144 26.430 37.627 -21.465 1.00 1.21 H new ATOM 0 HG2 GLN A 144 28.435 38.026 -20.201 1.00 1.27 H new ATOM 0 HG3 GLN A 144 29.307 36.765 -21.050 1.00 1.27 H new ATOM 0 HE21 GLN A 144 30.065 37.113 -23.179 1.00 1.77 H new ATOM 0 HE22 GLN A 144 30.172 38.741 -23.856 1.00 1.77 H new ATOM 2222 N LYS A 145 28.108 34.213 -22.230 1.00 0.97 N ATOM 2223 CA LYS A 145 29.121 33.239 -22.595 1.00 0.98 C ATOM 2224 C LYS A 145 30.509 33.809 -22.344 1.00 1.01 C ATOM 2225 O LYS A 145 30.753 34.997 -22.568 1.00 1.11 O ATOM 2226 CB LYS A 145 29.000 32.833 -24.069 1.00 1.06 C ATOM 2227 CG LYS A 145 30.104 31.879 -24.501 1.00 1.17 C ATOM 2228 CD LYS A 145 30.058 31.556 -25.985 1.00 1.25 C ATOM 2229 CE LYS A 145 31.145 30.554 -26.345 1.00 1.41 C ATOM 2230 NZ LYS A 145 31.142 30.207 -27.788 1.00 1.43 N ATOM 0 H LYS A 145 27.564 34.572 -23.014 1.00 0.97 H new ATOM 0 HA LYS A 145 28.967 32.354 -21.978 1.00 0.98 H new ATOM 0 HB2 LYS A 145 28.031 32.362 -24.235 1.00 1.06 H new ATOM 0 HB3 LYS A 145 29.031 33.726 -24.693 1.00 1.06 H new ATOM 0 HG2 LYS A 145 31.072 32.318 -24.260 1.00 1.17 H new ATOM 0 HG3 LYS A 145 30.022 30.954 -23.930 1.00 1.17 H new ATOM 0 HD2 LYS A 145 29.080 31.150 -26.245 1.00 1.25 H new ATOM 0 HD3 LYS A 145 30.189 32.469 -26.566 1.00 1.25 H new ATOM 0 HE2 LYS A 145 32.118 30.965 -26.075 1.00 1.41 H new ATOM 0 HE3 LYS A 145 31.008 29.647 -25.756 1.00 1.41 H new ATOM 0 HZ1 LYS A 145 31.900 29.522 -27.982 1.00 1.43 H new ATOM 0 HZ2 LYS A 145 30.224 29.789 -28.043 1.00 1.43 H new ATOM 0 HZ3 LYS A 145 31.299 31.066 -28.352 1.00 1.43 H new ATOM 2244 N GLY A 146 31.404 32.963 -21.865 1.00 0.97 N ATOM 2245 CA GLY A 146 32.779 33.368 -21.689 1.00 1.06 C ATOM 2246 C GLY A 146 33.060 33.937 -20.317 1.00 1.00 C ATOM 2247 O GLY A 146 34.206 34.251 -20.001 1.00 1.07 O ATOM 0 H GLY A 146 31.202 32.001 -21.594 1.00 0.97 H new ATOM 0 HA2 GLY A 146 33.429 32.510 -21.860 1.00 1.06 H new ATOM 0 HA3 GLY A 146 33.031 34.113 -22.443 1.00 1.06 H new ATOM 2251 N ASP A 147 32.034 34.079 -19.488 1.00 0.90 N ATOM 2252 CA ASP A 147 32.254 34.610 -18.150 1.00 0.87 C ATOM 2253 C ASP A 147 32.518 33.466 -17.183 1.00 0.72 C ATOM 2254 O ASP A 147 31.899 32.404 -17.285 1.00 0.63 O ATOM 2255 CB ASP A 147 31.079 35.462 -17.673 1.00 0.89 C ATOM 2256 CG ASP A 147 31.529 36.544 -16.708 1.00 1.35 C ATOM 2257 OD1 ASP A 147 31.853 37.660 -17.156 1.00 1.94 O ATOM 2258 OD2 ASP A 147 31.538 36.281 -15.484 1.00 1.60 O ATOM 0 H ASP A 147 31.067 33.841 -19.709 1.00 0.90 H new ATOM 0 HA ASP A 147 33.126 35.263 -18.184 1.00 0.87 H new ATOM 0 HB2 ASP A 147 30.589 35.921 -18.532 1.00 0.89 H new ATOM 0 HB3 ASP A 147 30.340 34.825 -17.187 1.00 0.89 H new ATOM 2263 N LEU A 148 33.435 33.689 -16.255 1.00 0.75 N ATOM 2264 CA LEU A 148 33.934 32.631 -15.388 1.00 0.66 C ATOM 2265 C LEU A 148 33.063 32.457 -14.152 1.00 0.60 C ATOM 2266 O LEU A 148 32.716 33.423 -13.469 1.00 0.63 O ATOM 2267 CB LEU A 148 35.376 32.930 -14.983 1.00 0.75 C ATOM 2268 CG LEU A 148 36.387 32.853 -16.128 1.00 0.93 C ATOM 2269 CD1 LEU A 148 37.405 33.976 -16.029 1.00 1.46 C ATOM 2270 CD2 LEU A 148 37.077 31.493 -16.130 1.00 1.79 C ATOM 0 H LEU A 148 33.853 34.603 -16.081 1.00 0.75 H new ATOM 0 HA LEU A 148 33.900 31.695 -15.946 1.00 0.66 H new ATOM 0 HB2 LEU A 148 35.417 33.927 -14.545 1.00 0.75 H new ATOM 0 HB3 LEU A 148 35.674 32.228 -14.204 1.00 0.75 H new ATOM 0 HG LEU A 148 35.852 32.971 -17.070 1.00 0.93 H new ATOM 0 HD11 LEU A 148 38.113 33.899 -16.854 1.00 1.46 H new ATOM 0 HD12 LEU A 148 36.893 34.937 -16.078 1.00 1.46 H new ATOM 0 HD13 LEU A 148 37.941 33.899 -15.083 1.00 1.46 H new ATOM 0 HD21 LEU A 148 37.794 31.450 -16.950 1.00 1.79 H new ATOM 0 HD22 LEU A 148 37.598 31.348 -15.184 1.00 1.79 H new ATOM 0 HD23 LEU A 148 36.332 30.707 -16.258 1.00 1.79 H new ATOM 2282 N VAL A 149 32.717 31.210 -13.868 1.00 0.53 N ATOM 2283 CA VAL A 149 31.894 30.884 -12.715 1.00 0.48 C ATOM 2284 C VAL A 149 32.590 29.863 -11.822 1.00 0.46 C ATOM 2285 O VAL A 149 33.417 29.074 -12.285 1.00 0.49 O ATOM 2286 CB VAL A 149 30.513 30.329 -13.132 1.00 0.50 C ATOM 2287 CG1 VAL A 149 29.698 31.399 -13.844 1.00 1.16 C ATOM 2288 CG2 VAL A 149 30.669 29.087 -14.003 1.00 1.10 C ATOM 0 H VAL A 149 32.996 30.403 -14.425 1.00 0.53 H new ATOM 0 HA VAL A 149 31.745 31.813 -12.164 1.00 0.48 H new ATOM 0 HB VAL A 149 29.974 30.039 -12.230 1.00 0.50 H new ATOM 0 HG11 VAL A 149 28.729 30.989 -14.130 1.00 1.16 H new ATOM 0 HG12 VAL A 149 29.550 32.248 -13.177 1.00 1.16 H new ATOM 0 HG13 VAL A 149 30.230 31.728 -14.737 1.00 1.16 H new ATOM 0 HG21 VAL A 149 29.684 28.714 -14.284 1.00 1.10 H new ATOM 0 HG22 VAL A 149 31.231 29.341 -14.902 1.00 1.10 H new ATOM 0 HG23 VAL A 149 31.203 28.317 -13.446 1.00 1.10 H new ATOM 2298 N SER A 150 32.260 29.899 -10.541 1.00 0.46 N ATOM 2299 CA SER A 150 32.758 28.921 -9.589 1.00 0.47 C ATOM 2300 C SER A 150 31.605 28.048 -9.111 1.00 0.41 C ATOM 2301 O SER A 150 30.497 28.543 -8.899 1.00 0.49 O ATOM 2302 CB SER A 150 33.439 29.618 -8.404 1.00 0.59 C ATOM 2303 OG SER A 150 32.615 30.639 -7.870 1.00 1.44 O ATOM 0 H SER A 150 31.643 30.602 -10.134 1.00 0.46 H new ATOM 0 HA SER A 150 33.502 28.292 -10.078 1.00 0.47 H new ATOM 0 HB2 SER A 150 33.665 28.886 -7.629 1.00 0.59 H new ATOM 0 HB3 SER A 150 34.389 30.044 -8.726 1.00 0.59 H new ATOM 0 HG SER A 150 32.227 31.162 -8.602 1.00 1.44 H new ATOM 2309 N PHE A 151 31.866 26.756 -8.959 1.00 0.34 N ATOM 2310 CA PHE A 151 30.830 25.794 -8.591 1.00 0.34 C ATOM 2311 C PHE A 151 31.473 24.504 -8.108 1.00 0.41 C ATOM 2312 O PHE A 151 32.678 24.305 -8.279 1.00 0.49 O ATOM 2313 CB PHE A 151 29.928 25.500 -9.800 1.00 0.30 C ATOM 2314 CG PHE A 151 30.690 25.042 -11.012 1.00 0.35 C ATOM 2315 CD1 PHE A 151 31.168 25.962 -11.928 1.00 0.39 C ATOM 2316 CD2 PHE A 151 30.945 23.696 -11.224 1.00 0.47 C ATOM 2317 CE1 PHE A 151 31.886 25.556 -13.032 1.00 0.53 C ATOM 2318 CE2 PHE A 151 31.660 23.281 -12.330 1.00 0.59 C ATOM 2319 CZ PHE A 151 32.133 24.212 -13.232 1.00 0.61 C ATOM 0 H PHE A 151 32.792 26.346 -9.085 1.00 0.34 H new ATOM 0 HA PHE A 151 30.224 26.218 -7.790 1.00 0.34 H new ATOM 0 HB2 PHE A 151 29.202 24.735 -9.525 1.00 0.30 H new ATOM 0 HB3 PHE A 151 29.365 26.399 -10.052 1.00 0.30 H new ATOM 0 HD1 PHE A 151 30.976 27.014 -11.776 1.00 0.39 H new ATOM 0 HD2 PHE A 151 30.581 22.965 -10.517 1.00 0.47 H new ATOM 0 HE1 PHE A 151 32.254 26.286 -13.738 1.00 0.53 H new ATOM 0 HE2 PHE A 151 31.849 22.230 -12.489 1.00 0.59 H new ATOM 0 HZ PHE A 151 32.697 23.889 -14.095 1.00 0.61 H new ATOM 2329 N ARG A 152 30.687 23.622 -7.512 1.00 0.44 N ATOM 2330 CA ARG A 152 31.210 22.319 -7.158 1.00 0.51 C ATOM 2331 C ARG A 152 30.247 21.209 -7.548 1.00 0.50 C ATOM 2332 O ARG A 152 29.075 21.208 -7.174 1.00 0.54 O ATOM 2333 CB ARG A 152 31.558 22.245 -5.665 1.00 0.69 C ATOM 2334 CG ARG A 152 30.414 22.556 -4.706 1.00 0.94 C ATOM 2335 CD ARG A 152 30.704 23.816 -3.912 1.00 1.05 C ATOM 2336 NE ARG A 152 29.943 23.863 -2.664 1.00 1.29 N ATOM 2337 CZ ARG A 152 30.366 24.483 -1.565 1.00 1.57 C ATOM 2338 NH1 ARG A 152 31.508 25.159 -1.577 1.00 2.03 N ATOM 2339 NH2 ARG A 152 29.641 24.437 -0.453 1.00 2.20 N ATOM 0 H ARG A 152 29.709 23.781 -7.269 1.00 0.44 H new ATOM 0 HA ARG A 152 32.130 22.173 -7.723 1.00 0.51 H new ATOM 0 HB2 ARG A 152 31.930 21.244 -5.446 1.00 0.69 H new ATOM 0 HB3 ARG A 152 32.374 22.939 -5.466 1.00 0.69 H new ATOM 0 HG2 ARG A 152 29.487 22.679 -5.266 1.00 0.94 H new ATOM 0 HG3 ARG A 152 30.266 21.718 -4.025 1.00 0.94 H new ATOM 0 HD2 ARG A 152 31.770 23.867 -3.689 1.00 1.05 H new ATOM 0 HD3 ARG A 152 30.463 24.690 -4.517 1.00 1.05 H new ATOM 0 HE ARG A 152 29.037 23.394 -2.634 1.00 1.29 H new ATOM 0 HH11 ARG A 152 32.065 25.205 -2.430 1.00 2.03 H new ATOM 0 HH12 ARG A 152 31.829 25.633 -0.733 1.00 2.03 H new ATOM 0 HH21 ARG A 152 28.758 23.926 -0.440 1.00 2.20 H new ATOM 0 HH22 ARG A 152 29.967 24.913 0.388 1.00 2.20 H new ATOM 2353 N ILE A 153 30.760 20.283 -8.333 1.00 0.51 N ATOM 2354 CA ILE A 153 30.033 19.091 -8.722 1.00 0.56 C ATOM 2355 C ILE A 153 30.456 17.905 -7.862 1.00 0.65 C ATOM 2356 O ILE A 153 31.636 17.761 -7.542 1.00 0.75 O ATOM 2357 CB ILE A 153 30.266 18.764 -10.216 1.00 0.58 C ATOM 2358 CG1 ILE A 153 29.620 17.428 -10.599 1.00 1.23 C ATOM 2359 CG2 ILE A 153 31.753 18.743 -10.529 1.00 0.93 C ATOM 2360 CD1 ILE A 153 29.800 17.069 -12.059 1.00 1.24 C ATOM 0 H ILE A 153 31.701 20.337 -8.722 1.00 0.51 H new ATOM 0 HA ILE A 153 28.971 19.282 -8.570 1.00 0.56 H new ATOM 0 HB ILE A 153 29.794 19.548 -10.809 1.00 0.58 H new ATOM 0 HG12 ILE A 153 30.047 16.637 -9.983 1.00 1.23 H new ATOM 0 HG13 ILE A 153 28.555 17.470 -10.371 1.00 1.23 H new ATOM 0 HG21 ILE A 153 31.900 18.511 -11.584 1.00 0.93 H new ATOM 0 HG22 ILE A 153 32.185 19.719 -10.308 1.00 0.93 H new ATOM 0 HG23 ILE A 153 32.242 17.983 -9.919 1.00 0.93 H new ATOM 0 HD11 ILE A 153 29.318 16.112 -12.260 1.00 1.24 H new ATOM 0 HD12 ILE A 153 29.348 17.841 -12.682 1.00 1.24 H new ATOM 0 HD13 ILE A 153 30.863 16.995 -12.287 1.00 1.24 H new ATOM 2372 N ASP A 154 29.498 17.074 -7.479 1.00 0.71 N ATOM 2373 CA ASP A 154 29.808 15.803 -6.820 1.00 0.82 C ATOM 2374 C ASP A 154 28.579 14.899 -6.783 1.00 0.96 C ATOM 2375 O ASP A 154 28.367 14.100 -7.692 1.00 1.09 O ATOM 2376 CB ASP A 154 30.375 16.004 -5.400 1.00 0.84 C ATOM 2377 CG ASP A 154 30.774 14.689 -4.747 1.00 1.45 C ATOM 2378 OD1 ASP A 154 31.939 14.271 -4.907 1.00 1.92 O ATOM 2379 OD2 ASP A 154 29.921 14.065 -4.083 1.00 1.73 O ATOM 0 H ASP A 154 28.502 17.251 -7.610 1.00 0.71 H new ATOM 0 HA ASP A 154 30.584 15.318 -7.412 1.00 0.82 H new ATOM 0 HB2 ASP A 154 31.243 16.662 -5.447 1.00 0.84 H new ATOM 0 HB3 ASP A 154 29.630 16.503 -4.781 1.00 0.84 H new ATOM 2384 N GLU A 155 27.746 15.059 -5.763 1.00 1.00 N ATOM 2385 CA GLU A 155 26.582 14.197 -5.582 1.00 1.17 C ATOM 2386 C GLU A 155 25.474 14.532 -6.580 1.00 1.23 C ATOM 2387 O GLU A 155 24.786 13.644 -7.077 1.00 1.46 O ATOM 2388 CB GLU A 155 26.063 14.316 -4.146 1.00 1.25 C ATOM 2389 CG GLU A 155 25.672 15.734 -3.760 1.00 1.32 C ATOM 2390 CD GLU A 155 25.320 15.878 -2.296 1.00 2.00 C ATOM 2391 OE1 GLU A 155 24.179 15.536 -1.924 1.00 2.28 O ATOM 2392 OE2 GLU A 155 26.184 16.318 -1.516 1.00 2.76 O ATOM 0 H GLU A 155 27.854 15.778 -5.047 1.00 1.00 H new ATOM 0 HA GLU A 155 26.891 13.168 -5.768 1.00 1.17 H new ATOM 0 HB2 GLU A 155 25.199 13.663 -4.025 1.00 1.25 H new ATOM 0 HB3 GLU A 155 26.831 13.959 -3.459 1.00 1.25 H new ATOM 0 HG2 GLU A 155 26.495 16.408 -3.997 1.00 1.32 H new ATOM 0 HG3 GLU A 155 24.820 16.046 -4.364 1.00 1.32 H new ATOM 2399 N SER A 156 25.313 15.816 -6.880 1.00 1.10 N ATOM 2400 CA SER A 156 24.271 16.260 -7.799 1.00 1.19 C ATOM 2401 C SER A 156 24.636 15.926 -9.243 1.00 1.14 C ATOM 2402 O SER A 156 23.779 15.913 -10.123 1.00 1.27 O ATOM 2403 CB SER A 156 24.055 17.771 -7.646 1.00 1.17 C ATOM 2404 OG SER A 156 23.106 18.267 -8.575 1.00 1.98 O ATOM 0 H SER A 156 25.890 16.567 -6.501 1.00 1.10 H new ATOM 0 HA SER A 156 23.348 15.735 -7.553 1.00 1.19 H new ATOM 0 HB2 SER A 156 23.718 17.989 -6.632 1.00 1.17 H new ATOM 0 HB3 SER A 156 25.004 18.289 -7.785 1.00 1.17 H new ATOM 0 HG SER A 156 22.995 19.232 -8.445 1.00 1.98 H new ATOM 2410 N GLY A 157 25.914 15.647 -9.478 1.00 1.04 N ATOM 2411 CA GLY A 157 26.372 15.366 -10.829 1.00 1.09 C ATOM 2412 C GLY A 157 26.140 16.535 -11.780 1.00 1.02 C ATOM 2413 O GLY A 157 26.128 16.361 -12.997 1.00 1.27 O ATOM 0 H GLY A 157 26.639 15.610 -8.761 1.00 1.04 H new ATOM 0 HA2 GLY A 157 27.435 15.126 -10.806 1.00 1.09 H new ATOM 0 HA3 GLY A 157 25.855 14.485 -11.209 1.00 1.09 H new ATOM 2417 N ARG A 158 25.963 17.727 -11.216 1.00 0.79 N ATOM 2418 CA ARG A 158 25.716 18.937 -11.995 1.00 0.72 C ATOM 2419 C ARG A 158 26.501 20.087 -11.384 1.00 0.56 C ATOM 2420 O ARG A 158 27.170 19.908 -10.365 1.00 0.57 O ATOM 2421 CB ARG A 158 24.218 19.299 -12.030 1.00 0.85 C ATOM 2422 CG ARG A 158 23.327 18.241 -12.661 1.00 1.47 C ATOM 2423 CD ARG A 158 21.997 18.827 -13.115 1.00 1.52 C ATOM 2424 NE ARG A 158 21.238 19.419 -12.013 1.00 2.12 N ATOM 2425 CZ ARG A 158 20.104 20.114 -12.177 1.00 2.75 C ATOM 2426 NH1 ARG A 158 19.606 20.321 -13.391 1.00 3.00 N ATOM 2427 NH2 ARG A 158 19.463 20.603 -11.123 1.00 3.61 N ATOM 0 H ARG A 158 25.987 17.881 -10.208 1.00 0.79 H new ATOM 0 HA ARG A 158 26.038 18.754 -13.020 1.00 0.72 H new ATOM 0 HB2 ARG A 158 23.878 19.481 -11.011 1.00 0.85 H new ATOM 0 HB3 ARG A 158 24.096 20.233 -12.579 1.00 0.85 H new ATOM 0 HG2 ARG A 158 23.839 17.795 -13.514 1.00 1.47 H new ATOM 0 HG3 ARG A 158 23.147 17.441 -11.943 1.00 1.47 H new ATOM 0 HD2 ARG A 158 22.179 19.587 -13.875 1.00 1.52 H new ATOM 0 HD3 ARG A 158 21.400 18.044 -13.583 1.00 1.52 H new ATOM 0 HE ARG A 158 21.593 19.295 -11.065 1.00 2.12 H new ATOM 0 HH11 ARG A 158 20.087 19.949 -14.210 1.00 3.00 H new ATOM 0 HH12 ARG A 158 18.742 20.851 -13.504 1.00 3.00 H new ATOM 0 HH21 ARG A 158 19.833 20.450 -10.185 1.00 3.61 H new ATOM 0 HH22 ARG A 158 18.600 21.132 -11.251 1.00 3.61 H new ATOM 2441 N ALA A 159 26.420 21.257 -11.990 1.00 0.48 N ATOM 2442 CA ALA A 159 27.111 22.421 -11.469 1.00 0.39 C ATOM 2443 C ALA A 159 26.214 23.176 -10.501 1.00 0.39 C ATOM 2444 O ALA A 159 25.239 23.802 -10.910 1.00 0.48 O ATOM 2445 CB ALA A 159 27.555 23.325 -12.608 1.00 0.37 C ATOM 0 H ALA A 159 25.884 21.426 -12.841 1.00 0.48 H new ATOM 0 HA ALA A 159 27.998 22.090 -10.929 1.00 0.39 H new ATOM 0 HB1 ALA A 159 28.072 24.194 -12.202 1.00 0.37 H new ATOM 0 HB2 ALA A 159 28.229 22.777 -13.266 1.00 0.37 H new ATOM 0 HB3 ALA A 159 26.683 23.653 -13.173 1.00 0.37 H new ATOM 2451 N ALA A 160 26.543 23.104 -9.219 1.00 0.38 N ATOM 2452 CA ALA A 160 25.755 23.769 -8.191 1.00 0.41 C ATOM 2453 C ALA A 160 26.606 24.760 -7.408 1.00 0.41 C ATOM 2454 O ALA A 160 27.839 24.680 -7.430 1.00 0.42 O ATOM 2455 CB ALA A 160 25.131 22.746 -7.258 1.00 0.49 C ATOM 0 H ALA A 160 27.351 22.591 -8.866 1.00 0.38 H new ATOM 0 HA ALA A 160 24.956 24.325 -8.681 1.00 0.41 H new ATOM 0 HB1 ALA A 160 24.545 23.259 -6.495 1.00 0.49 H new ATOM 0 HB2 ALA A 160 24.482 22.082 -7.828 1.00 0.49 H new ATOM 0 HB3 ALA A 160 25.918 22.162 -6.780 1.00 0.49 H new ATOM 2461 N CYS A 161 25.936 25.680 -6.712 1.00 0.47 N ATOM 2462 CA CYS A 161 26.602 26.751 -5.968 1.00 0.51 C ATOM 2463 C CYS A 161 27.355 27.666 -6.934 1.00 0.42 C ATOM 2464 O CYS A 161 28.426 28.186 -6.619 1.00 0.49 O ATOM 2465 CB CYS A 161 27.547 26.169 -4.907 1.00 0.63 C ATOM 2466 SG CYS A 161 26.748 25.008 -3.764 1.00 1.55 S ATOM 0 H CYS A 161 24.918 25.704 -6.648 1.00 0.47 H new ATOM 0 HA CYS A 161 25.847 27.342 -5.449 1.00 0.51 H new ATOM 0 HB2 CYS A 161 28.370 25.660 -5.408 1.00 0.63 H new ATOM 0 HB3 CYS A 161 27.980 26.988 -4.333 1.00 0.63 H new ATOM 0 HG CYS A 161 25.977 25.664 -2.948 1.00 1.55 H new ATOM 2472 N VAL A 162 26.749 27.882 -8.101 1.00 0.37 N ATOM 2473 CA VAL A 162 27.361 28.660 -9.171 1.00 0.35 C ATOM 2474 C VAL A 162 27.452 30.137 -8.797 1.00 0.39 C ATOM 2475 O VAL A 162 26.435 30.811 -8.621 1.00 0.48 O ATOM 2476 CB VAL A 162 26.565 28.513 -10.487 1.00 0.45 C ATOM 2477 CG1 VAL A 162 27.186 29.344 -11.602 1.00 1.15 C ATOM 2478 CG2 VAL A 162 26.473 27.052 -10.895 1.00 1.26 C ATOM 0 H VAL A 162 25.822 27.522 -8.328 1.00 0.37 H new ATOM 0 HA VAL A 162 28.368 28.270 -9.318 1.00 0.35 H new ATOM 0 HB VAL A 162 25.556 28.888 -10.313 1.00 0.45 H new ATOM 0 HG11 VAL A 162 26.604 29.220 -12.515 1.00 1.15 H new ATOM 0 HG12 VAL A 162 27.189 30.395 -11.314 1.00 1.15 H new ATOM 0 HG13 VAL A 162 28.210 29.012 -11.776 1.00 1.15 H new ATOM 0 HG21 VAL A 162 25.909 26.968 -11.824 1.00 1.26 H new ATOM 0 HG22 VAL A 162 27.476 26.652 -11.042 1.00 1.26 H new ATOM 0 HG23 VAL A 162 25.968 26.487 -10.112 1.00 1.26 H new ATOM 2488 N ASN A 163 28.675 30.624 -8.665 1.00 0.43 N ATOM 2489 CA ASN A 163 28.919 32.032 -8.380 1.00 0.53 C ATOM 2490 C ASN A 163 29.852 32.621 -9.431 1.00 0.52 C ATOM 2491 O ASN A 163 30.981 32.157 -9.594 1.00 0.53 O ATOM 2492 CB ASN A 163 29.530 32.202 -6.984 1.00 0.67 C ATOM 2493 CG ASN A 163 29.758 33.658 -6.609 1.00 1.29 C ATOM 2494 OD1 ASN A 163 28.826 34.525 -6.976 1.00 1.96 O flip ATOM 2495 ND2 ASN A 163 30.747 33.997 -5.960 1.00 2.05 N flip ATOM 0 H ASN A 163 29.521 30.061 -8.751 1.00 0.43 H new ATOM 0 HA ASN A 163 27.967 32.561 -8.408 1.00 0.53 H new ATOM 0 HB2 ASN A 163 28.872 31.741 -6.247 1.00 0.67 H new ATOM 0 HB3 ASN A 163 30.480 31.669 -6.941 1.00 0.67 H new ATOM 0 HD21 ASN A 163 31.445 33.303 -5.694 1.00 2.05 H new ATOM 0 HD22 ASN A 163 30.869 34.972 -5.688 1.00 2.05 H new ATOM 2502 N ALA A 164 29.366 33.621 -10.162 1.00 0.53 N ATOM 2503 CA ALA A 164 30.180 34.313 -11.160 1.00 0.56 C ATOM 2504 C ALA A 164 31.402 34.952 -10.505 1.00 0.63 C ATOM 2505 O ALA A 164 31.271 35.847 -9.669 1.00 0.75 O ATOM 2506 CB ALA A 164 29.347 35.367 -11.874 1.00 0.60 C ATOM 0 H ALA A 164 28.411 33.971 -10.082 1.00 0.53 H new ATOM 0 HA ALA A 164 30.527 33.585 -11.893 1.00 0.56 H new ATOM 0 HB1 ALA A 164 29.963 35.877 -12.615 1.00 0.60 H new ATOM 0 HB2 ALA A 164 28.503 34.889 -12.370 1.00 0.60 H new ATOM 0 HB3 ALA A 164 28.978 36.092 -11.149 1.00 0.60 H new ATOM 2512 N VAL A 165 32.584 34.486 -10.886 1.00 0.62 N ATOM 2513 CA VAL A 165 33.814 34.913 -10.247 1.00 0.70 C ATOM 2514 C VAL A 165 34.843 35.395 -11.272 1.00 0.71 C ATOM 2515 O VAL A 165 35.267 34.651 -12.157 1.00 0.95 O ATOM 2516 CB VAL A 165 34.414 33.781 -9.374 1.00 1.07 C ATOM 2517 CG1 VAL A 165 34.701 32.529 -10.199 1.00 1.43 C ATOM 2518 CG2 VAL A 165 35.671 34.259 -8.653 1.00 1.56 C ATOM 0 H VAL A 165 32.713 33.809 -11.638 1.00 0.62 H new ATOM 0 HA VAL A 165 33.564 35.753 -9.599 1.00 0.70 H new ATOM 0 HB VAL A 165 33.670 33.515 -8.623 1.00 1.07 H new ATOM 0 HG11 VAL A 165 35.121 31.757 -9.554 1.00 1.43 H new ATOM 0 HG12 VAL A 165 33.774 32.166 -10.644 1.00 1.43 H new ATOM 0 HG13 VAL A 165 35.413 32.769 -10.989 1.00 1.43 H new ATOM 0 HG21 VAL A 165 36.074 33.447 -8.047 1.00 1.56 H new ATOM 0 HG22 VAL A 165 36.416 34.568 -9.386 1.00 1.56 H new ATOM 0 HG23 VAL A 165 35.423 35.103 -8.010 1.00 1.56 H new ATOM 2528 N ARG A 166 35.218 36.659 -11.158 1.00 0.84 N ATOM 2529 CA ARG A 166 36.251 37.228 -12.006 1.00 1.15 C ATOM 2530 C ARG A 166 37.576 37.273 -11.252 1.00 1.13 C ATOM 2531 O ARG A 166 37.613 37.590 -10.062 1.00 1.05 O ATOM 2532 CB ARG A 166 35.850 38.631 -12.485 1.00 1.51 C ATOM 2533 CG ARG A 166 34.985 38.642 -13.738 1.00 1.76 C ATOM 2534 CD ARG A 166 33.619 38.021 -13.490 1.00 1.58 C ATOM 2535 NE ARG A 166 32.750 38.876 -12.680 1.00 1.94 N ATOM 2536 CZ ARG A 166 31.421 38.899 -12.789 1.00 2.24 C ATOM 2537 NH1 ARG A 166 30.807 38.133 -13.687 1.00 2.45 N ATOM 2538 NH2 ARG A 166 30.707 39.693 -11.994 1.00 2.94 N ATOM 0 H ARG A 166 34.820 37.312 -10.483 1.00 0.84 H new ATOM 0 HA ARG A 166 36.370 36.595 -12.886 1.00 1.15 H new ATOM 0 HB2 ARG A 166 35.313 39.136 -11.682 1.00 1.51 H new ATOM 0 HB3 ARG A 166 36.754 39.209 -12.677 1.00 1.51 H new ATOM 0 HG2 ARG A 166 34.860 39.668 -14.084 1.00 1.76 H new ATOM 0 HG3 ARG A 166 35.492 38.097 -14.534 1.00 1.76 H new ATOM 0 HD2 ARG A 166 33.136 37.821 -14.446 1.00 1.58 H new ATOM 0 HD3 ARG A 166 33.746 37.061 -12.990 1.00 1.58 H new ATOM 0 HE ARG A 166 33.186 39.490 -11.992 1.00 1.94 H new ATOM 0 HH11 ARG A 166 31.353 37.524 -14.296 1.00 2.45 H new ATOM 0 HH12 ARG A 166 29.790 38.155 -13.766 1.00 2.45 H new ATOM 0 HH21 ARG A 166 31.177 40.281 -11.305 1.00 2.94 H new ATOM 0 HH22 ARG A 166 29.690 39.714 -12.074 1.00 2.94 H new