USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=28 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 43 ASN : amide:sc= -1.62! C(o=-1.6!,f=-5.5!) USER MOD Set 1.2: A 45 ASN : amide:sc= 0 X(o=-1.6,f=-1.5) USER MOD Set 2.1: A 40 TYR OH : rot 165:sc= -0.0382 USER MOD Set 2.2: A 77 MET CE :methyl -148:sc= -1.14 (180deg=-1.61) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.359 F(o=-1.4,f=-0.36) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.274 (180deg=-0.851) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00734 K(o=-0.0073,f=-0.53) USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.6 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00758 USER MOD Single : A 29 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.33) USER MOD Single : A 36 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.9!) USER MOD Single : A 41 MET CE :methyl -171:sc= -1.39 (180deg=-1.54) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0239 F(o=-1.1,f=-0.024) USER MOD Single : A 55 TYR OH : rot 80:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0573 F(o=-2!,f=-0.057) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.31) USER MOD Single : A 82 SER OG : rot 113:sc= 1.27 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.92 F(o=-2.3,f=-0.92) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -153:sc= 1.32 USER MOD Single : A 93 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.0079) USER MOD Single : A 94 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.012) USER MOD Single : A 123 THR OG1 : rot 94:sc= 0.984 USER MOD Single : A 124 THR OG1 : rot 15:sc= 1.14 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.708 K(o=-0.71,f=-2.1) USER MOD Single : A 129 HIS :FLIP no HE2:sc= -3.64 F(o=-5.2!,f=-3.6) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 135 SER OG : rot -40:sc= -0.306 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 LYS NZ :NH3+ 139:sc= 0.211 (180deg=-0.104) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 145 LYS NZ :NH3+ -168:sc= -0.0193 (180deg=-0.19) USER MOD Single : A 150 SER OG : rot -172:sc= -0.326 USER MOD Single : A 156 SER OG : rot -26:sc= -0.0105 USER MOD Single : A 161 CYS SG : rot 180:sc= 0 USER MOD Single : A 163 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 8 2.264 10.269 -2.651 1.00 1.20 N ATOM 66 CA GLN A 8 3.595 10.837 -2.532 1.00 1.13 C ATOM 67 C GLN A 8 3.625 12.289 -2.959 1.00 0.98 C ATOM 68 O GLN A 8 3.255 12.630 -4.082 1.00 0.93 O ATOM 69 CB GLN A 8 4.609 10.023 -3.336 1.00 1.19 C ATOM 70 CG GLN A 8 5.020 8.735 -2.640 1.00 1.42 C ATOM 71 CD GLN A 8 5.594 8.986 -1.255 1.00 1.54 C ATOM 72 OE1 GLN A 8 6.257 10.121 -1.082 1.00 2.00 O flip ATOM 73 NE2 GLN A 8 5.452 8.164 -0.352 1.00 1.75 N flip ATOM 0 HA GLN A 8 3.872 10.795 -1.478 1.00 1.13 H new ATOM 0 HB2 GLN A 8 4.184 9.784 -4.311 1.00 1.19 H new ATOM 0 HB3 GLN A 8 5.495 10.632 -3.516 1.00 1.19 H new ATOM 0 HG2 GLN A 8 4.155 8.077 -2.559 1.00 1.42 H new ATOM 0 HG3 GLN A 8 5.760 8.216 -3.249 1.00 1.42 H new ATOM 0 HE21 GLN A 8 4.935 7.302 -0.524 1.00 1.75 H new ATOM 0 HE22 GLN A 8 5.851 8.344 0.569 1.00 1.75 H new ATOM 82 N VAL A 9 4.060 13.141 -2.049 1.00 0.94 N ATOM 83 CA VAL A 9 4.208 14.551 -2.338 1.00 0.81 C ATOM 84 C VAL A 9 5.595 14.806 -2.895 1.00 0.79 C ATOM 85 O VAL A 9 6.599 14.470 -2.267 1.00 0.87 O ATOM 86 CB VAL A 9 3.986 15.412 -1.081 1.00 0.81 C ATOM 87 CG1 VAL A 9 4.055 16.897 -1.415 1.00 1.16 C ATOM 88 CG2 VAL A 9 2.658 15.056 -0.426 1.00 1.27 C ATOM 0 H VAL A 9 4.318 12.876 -1.098 1.00 0.94 H new ATOM 0 HA VAL A 9 3.452 14.831 -3.072 1.00 0.81 H new ATOM 0 HB VAL A 9 4.786 15.199 -0.372 1.00 0.81 H new ATOM 0 HG11 VAL A 9 3.895 17.482 -0.509 1.00 1.16 H new ATOM 0 HG12 VAL A 9 5.035 17.132 -1.830 1.00 1.16 H new ATOM 0 HG13 VAL A 9 3.284 17.142 -2.146 1.00 1.16 H new ATOM 0 HG21 VAL A 9 2.513 15.672 0.462 1.00 1.27 H new ATOM 0 HG22 VAL A 9 1.845 15.237 -1.130 1.00 1.27 H new ATOM 0 HG23 VAL A 9 2.664 14.004 -0.141 1.00 1.27 H new ATOM 98 N TYR A 10 5.643 15.387 -4.076 1.00 0.71 N ATOM 99 CA TYR A 10 6.900 15.638 -4.760 1.00 0.71 C ATOM 100 C TYR A 10 7.249 17.099 -4.608 1.00 0.62 C ATOM 101 O TYR A 10 6.364 17.931 -4.472 1.00 0.57 O ATOM 102 CB TYR A 10 6.776 15.286 -6.244 1.00 0.74 C ATOM 103 CG TYR A 10 5.932 14.059 -6.512 1.00 0.83 C ATOM 104 CD1 TYR A 10 6.358 12.798 -6.116 1.00 0.95 C ATOM 105 CD2 TYR A 10 4.709 14.165 -7.163 1.00 0.84 C ATOM 106 CE1 TYR A 10 5.591 11.678 -6.363 1.00 1.04 C ATOM 107 CE2 TYR A 10 3.934 13.050 -7.413 1.00 0.94 C ATOM 108 CZ TYR A 10 4.382 11.808 -7.011 1.00 1.03 C ATOM 109 OH TYR A 10 3.618 10.691 -7.257 1.00 1.14 O ATOM 0 H TYR A 10 4.818 15.698 -4.589 1.00 0.71 H new ATOM 0 HA TYR A 10 7.684 15.019 -4.323 1.00 0.71 H new ATOM 0 HB2 TYR A 10 6.345 16.135 -6.774 1.00 0.74 H new ATOM 0 HB3 TYR A 10 7.773 15.127 -6.655 1.00 0.74 H new ATOM 0 HD1 TYR A 10 7.304 12.692 -5.607 1.00 0.95 H new ATOM 0 HD2 TYR A 10 4.359 15.136 -7.479 1.00 0.84 H new ATOM 0 HE1 TYR A 10 5.937 10.704 -6.050 1.00 1.04 H new ATOM 0 HE2 TYR A 10 2.985 13.149 -7.919 1.00 0.94 H new ATOM 0 HH TYR A 10 2.795 10.953 -7.720 1.00 1.14 H new ATOM 119 N ARG A 11 8.518 17.428 -4.613 1.00 0.66 N ATOM 120 CA ARG A 11 8.898 18.821 -4.531 1.00 0.64 C ATOM 121 C ARG A 11 9.938 19.156 -5.573 1.00 0.56 C ATOM 122 O ARG A 11 10.689 18.290 -6.028 1.00 0.66 O ATOM 123 CB ARG A 11 9.392 19.202 -3.133 1.00 0.85 C ATOM 124 CG ARG A 11 10.603 18.433 -2.656 1.00 0.85 C ATOM 125 CD ARG A 11 10.217 17.249 -1.787 1.00 1.11 C ATOM 126 NE ARG A 11 9.354 17.642 -0.671 1.00 1.37 N ATOM 127 CZ ARG A 11 9.702 17.560 0.615 1.00 1.76 C ATOM 128 NH1 ARG A 11 10.916 17.140 0.960 1.00 2.15 N ATOM 129 NH2 ARG A 11 8.838 17.914 1.556 1.00 2.31 N ATOM 0 H ARG A 11 9.293 16.767 -4.672 1.00 0.66 H new ATOM 0 HA ARG A 11 8.003 19.410 -4.730 1.00 0.64 H new ATOM 0 HB2 ARG A 11 9.628 20.266 -3.124 1.00 0.85 H new ATOM 0 HB3 ARG A 11 8.580 19.050 -2.422 1.00 0.85 H new ATOM 0 HG2 ARG A 11 11.172 18.081 -3.517 1.00 0.85 H new ATOM 0 HG3 ARG A 11 11.257 19.099 -2.093 1.00 0.85 H new ATOM 0 HD2 ARG A 11 9.704 16.505 -2.396 1.00 1.11 H new ATOM 0 HD3 ARG A 11 11.119 16.776 -1.398 1.00 1.11 H new ATOM 0 HE ARG A 11 8.425 18.002 -0.891 1.00 1.37 H new ATOM 0 HH11 ARG A 11 11.589 16.878 0.240 1.00 2.15 H new ATOM 0 HH12 ARG A 11 11.174 17.080 1.945 1.00 2.15 H new ATOM 0 HH21 ARG A 11 7.910 18.248 1.297 1.00 2.31 H new ATOM 0 HH22 ARG A 11 9.101 17.852 2.539 1.00 2.31 H new ATOM 143 N GLY A 12 9.946 20.409 -5.953 1.00 0.46 N ATOM 144 CA GLY A 12 10.877 20.900 -6.928 1.00 0.45 C ATOM 145 C GLY A 12 11.075 22.377 -6.737 1.00 0.44 C ATOM 146 O GLY A 12 10.880 22.893 -5.632 1.00 0.50 O ATOM 0 H GLY A 12 9.305 21.116 -5.592 1.00 0.46 H new ATOM 0 HA2 GLY A 12 11.830 20.380 -6.830 1.00 0.45 H new ATOM 0 HA3 GLY A 12 10.506 20.700 -7.933 1.00 0.45 H new ATOM 150 N PHE A 13 11.438 23.066 -7.794 1.00 0.44 N ATOM 151 CA PHE A 13 11.681 24.487 -7.703 1.00 0.46 C ATOM 152 C PHE A 13 11.216 25.204 -8.962 1.00 0.43 C ATOM 153 O PHE A 13 11.359 24.690 -10.074 1.00 0.45 O ATOM 154 CB PHE A 13 13.164 24.755 -7.425 1.00 0.57 C ATOM 155 CG PHE A 13 14.072 23.571 -7.670 1.00 0.57 C ATOM 156 CD1 PHE A 13 14.682 23.388 -8.903 1.00 0.63 C ATOM 157 CD2 PHE A 13 14.337 22.652 -6.655 1.00 0.58 C ATOM 158 CE1 PHE A 13 15.536 22.323 -9.116 1.00 0.68 C ATOM 159 CE2 PHE A 13 15.182 21.591 -6.867 1.00 0.63 C ATOM 160 CZ PHE A 13 15.786 21.425 -8.094 1.00 0.67 C ATOM 0 H PHE A 13 11.571 22.668 -8.723 1.00 0.44 H new ATOM 0 HA PHE A 13 11.101 24.884 -6.870 1.00 0.46 H new ATOM 0 HB2 PHE A 13 13.494 25.585 -8.050 1.00 0.57 H new ATOM 0 HB3 PHE A 13 13.275 25.073 -6.388 1.00 0.57 H new ATOM 0 HD1 PHE A 13 14.487 24.085 -9.704 1.00 0.63 H new ATOM 0 HD2 PHE A 13 13.871 22.777 -5.689 1.00 0.58 H new ATOM 0 HE1 PHE A 13 16.008 22.192 -10.079 1.00 0.68 H new ATOM 0 HE2 PHE A 13 15.373 20.886 -6.071 1.00 0.63 H new ATOM 0 HZ PHE A 13 16.455 20.593 -8.258 1.00 0.67 H new ATOM 170 N ILE A 14 10.634 26.382 -8.767 1.00 0.42 N ATOM 171 CA ILE A 14 10.100 27.175 -9.866 1.00 0.42 C ATOM 172 C ILE A 14 11.220 27.622 -10.794 1.00 0.48 C ATOM 173 O ILE A 14 12.032 28.472 -10.433 1.00 0.56 O ATOM 174 CB ILE A 14 9.356 28.430 -9.351 1.00 0.43 C ATOM 175 CG1 ILE A 14 8.311 28.057 -8.298 1.00 0.41 C ATOM 176 CG2 ILE A 14 8.700 29.173 -10.509 1.00 0.46 C ATOM 177 CD1 ILE A 14 7.186 27.191 -8.826 1.00 0.38 C ATOM 0 H ILE A 14 10.520 26.811 -7.849 1.00 0.42 H new ATOM 0 HA ILE A 14 9.397 26.541 -10.406 1.00 0.42 H new ATOM 0 HB ILE A 14 10.089 29.087 -8.883 1.00 0.43 H new ATOM 0 HG12 ILE A 14 8.805 27.533 -7.480 1.00 0.41 H new ATOM 0 HG13 ILE A 14 7.887 28.971 -7.882 1.00 0.41 H new ATOM 0 HG21 ILE A 14 8.181 30.053 -10.129 1.00 0.46 H new ATOM 0 HG22 ILE A 14 9.464 29.482 -11.222 1.00 0.46 H new ATOM 0 HG23 ILE A 14 7.985 28.516 -11.005 1.00 0.46 H new ATOM 0 HD11 ILE A 14 6.487 26.970 -8.019 1.00 0.38 H new ATOM 0 HD12 ILE A 14 6.664 27.719 -9.624 1.00 0.38 H new ATOM 0 HD13 ILE A 14 7.596 26.259 -9.216 1.00 0.38 H new ATOM 189 N ALA A 15 11.272 27.037 -11.980 1.00 0.49 N ATOM 190 CA ALA A 15 12.302 27.386 -12.944 1.00 0.58 C ATOM 191 C ALA A 15 11.753 28.330 -14.004 1.00 0.65 C ATOM 192 O ALA A 15 12.448 29.229 -14.475 1.00 0.76 O ATOM 193 CB ALA A 15 12.873 26.138 -13.590 1.00 0.59 C ATOM 0 H ALA A 15 10.617 26.322 -12.297 1.00 0.49 H new ATOM 0 HA ALA A 15 13.104 27.898 -12.413 1.00 0.58 H new ATOM 0 HB1 ALA A 15 13.643 26.420 -14.309 1.00 0.59 H new ATOM 0 HB2 ALA A 15 13.310 25.498 -12.823 1.00 0.59 H new ATOM 0 HB3 ALA A 15 12.078 25.598 -14.103 1.00 0.59 H new ATOM 199 N VAL A 16 10.501 28.120 -14.386 1.00 0.66 N ATOM 200 CA VAL A 16 9.854 28.987 -15.356 1.00 0.78 C ATOM 201 C VAL A 16 8.663 29.686 -14.728 1.00 0.69 C ATOM 202 O VAL A 16 7.746 29.037 -14.223 1.00 0.67 O ATOM 203 CB VAL A 16 9.376 28.196 -16.594 1.00 0.94 C ATOM 204 CG1 VAL A 16 8.804 29.128 -17.650 1.00 1.55 C ATOM 205 CG2 VAL A 16 10.510 27.368 -17.175 1.00 1.42 C ATOM 0 H VAL A 16 9.916 27.359 -14.040 1.00 0.66 H new ATOM 0 HA VAL A 16 10.592 29.723 -15.674 1.00 0.78 H new ATOM 0 HB VAL A 16 8.584 27.520 -16.273 1.00 0.94 H new ATOM 0 HG11 VAL A 16 8.475 28.545 -18.510 1.00 1.55 H new ATOM 0 HG12 VAL A 16 7.956 29.672 -17.234 1.00 1.55 H new ATOM 0 HG13 VAL A 16 9.571 29.837 -17.964 1.00 1.55 H new ATOM 0 HG21 VAL A 16 10.151 26.819 -18.046 1.00 1.42 H new ATOM 0 HG22 VAL A 16 11.326 28.027 -17.472 1.00 1.42 H new ATOM 0 HG23 VAL A 16 10.868 26.663 -16.424 1.00 1.42 H new ATOM 215 N MET A 17 8.678 31.006 -14.755 1.00 0.73 N ATOM 216 CA MET A 17 7.560 31.783 -14.252 1.00 0.71 C ATOM 217 C MET A 17 7.006 32.669 -15.359 1.00 0.81 C ATOM 218 O MET A 17 7.641 33.644 -15.761 1.00 0.89 O ATOM 219 CB MET A 17 7.988 32.625 -13.044 1.00 0.74 C ATOM 220 CG MET A 17 6.891 33.539 -12.515 1.00 1.23 C ATOM 221 SD MET A 17 7.365 34.412 -11.004 1.00 1.42 S ATOM 222 CE MET A 17 7.626 33.037 -9.883 1.00 0.90 C ATOM 0 H MET A 17 9.451 31.562 -15.120 1.00 0.73 H new ATOM 0 HA MET A 17 6.775 31.101 -13.925 1.00 0.71 H new ATOM 0 HB2 MET A 17 8.311 31.959 -12.244 1.00 0.74 H new ATOM 0 HB3 MET A 17 8.851 33.231 -13.322 1.00 0.74 H new ATOM 0 HG2 MET A 17 6.632 34.268 -13.283 1.00 1.23 H new ATOM 0 HG3 MET A 17 5.996 32.948 -12.321 1.00 1.23 H new ATOM 0 HE1 MET A 17 7.607 33.397 -8.855 1.00 0.90 H new ATOM 0 HE2 MET A 17 6.837 32.298 -10.023 1.00 0.90 H new ATOM 0 HE3 MET A 17 8.593 32.578 -10.089 1.00 0.90 H new ATOM 232 N LYS A 18 5.844 32.302 -15.875 1.00 0.83 N ATOM 233 CA LYS A 18 5.191 33.072 -16.920 1.00 0.97 C ATOM 234 C LYS A 18 4.070 33.910 -16.325 1.00 1.03 C ATOM 235 O LYS A 18 3.970 34.051 -15.106 1.00 1.01 O ATOM 236 CB LYS A 18 4.633 32.143 -18.001 1.00 1.02 C ATOM 237 CG LYS A 18 5.698 31.473 -18.851 1.00 1.31 C ATOM 238 CD LYS A 18 6.455 32.497 -19.678 1.00 1.39 C ATOM 239 CE LYS A 18 7.325 31.840 -20.737 1.00 1.29 C ATOM 240 NZ LYS A 18 7.982 32.856 -21.603 1.00 2.03 N ATOM 0 H LYS A 18 5.331 31.470 -15.584 1.00 0.83 H new ATOM 0 HA LYS A 18 5.927 33.733 -17.376 1.00 0.97 H new ATOM 0 HB2 LYS A 18 4.025 31.373 -17.525 1.00 1.02 H new ATOM 0 HB3 LYS A 18 3.971 32.715 -18.651 1.00 1.02 H new ATOM 0 HG2 LYS A 18 6.394 30.932 -18.210 1.00 1.31 H new ATOM 0 HG3 LYS A 18 5.234 30.739 -19.510 1.00 1.31 H new ATOM 0 HD2 LYS A 18 5.746 33.171 -20.158 1.00 1.39 H new ATOM 0 HD3 LYS A 18 7.078 33.104 -19.022 1.00 1.39 H new ATOM 0 HE2 LYS A 18 8.084 31.223 -20.256 1.00 1.29 H new ATOM 0 HE3 LYS A 18 6.716 31.175 -21.350 1.00 1.29 H new ATOM 0 HZ1 LYS A 18 8.569 32.377 -22.316 1.00 2.03 H new ATOM 0 HZ2 LYS A 18 7.256 33.428 -22.080 1.00 2.03 H new ATOM 0 HZ3 LYS A 18 8.581 33.474 -21.020 1.00 2.03 H new ATOM 254 N GLU A 19 3.227 34.452 -17.189 1.00 1.21 N ATOM 255 CA GLU A 19 2.133 35.304 -16.761 1.00 1.32 C ATOM 256 C GLU A 19 0.928 34.466 -16.334 1.00 1.18 C ATOM 257 O GLU A 19 0.206 34.834 -15.406 1.00 1.24 O ATOM 258 CB GLU A 19 1.746 36.296 -17.868 1.00 1.62 C ATOM 259 CG GLU A 19 1.270 35.641 -19.154 1.00 2.11 C ATOM 260 CD GLU A 19 2.387 34.986 -19.950 1.00 2.65 C ATOM 261 OE1 GLU A 19 3.018 35.672 -20.782 1.00 2.89 O ATOM 262 OE2 GLU A 19 2.639 33.784 -19.737 1.00 3.24 O ATOM 0 H GLU A 19 3.282 34.315 -18.198 1.00 1.21 H new ATOM 0 HA GLU A 19 2.469 35.878 -15.897 1.00 1.32 H new ATOM 0 HB2 GLU A 19 0.959 36.951 -17.494 1.00 1.62 H new ATOM 0 HB3 GLU A 19 2.606 36.927 -18.092 1.00 1.62 H new ATOM 0 HG2 GLU A 19 0.518 34.890 -18.913 1.00 2.11 H new ATOM 0 HG3 GLU A 19 0.783 36.392 -19.776 1.00 2.11 H new ATOM 269 N ASN A 20 0.713 33.343 -17.012 1.00 1.10 N ATOM 270 CA ASN A 20 -0.403 32.460 -16.684 1.00 1.07 C ATOM 271 C ASN A 20 0.062 31.151 -16.057 1.00 0.95 C ATOM 272 O ASN A 20 -0.586 30.618 -15.154 1.00 0.97 O ATOM 273 CB ASN A 20 -1.219 32.163 -17.940 1.00 1.19 C ATOM 274 CG ASN A 20 -2.024 33.355 -18.401 1.00 1.48 C ATOM 275 OD1 ASN A 20 -2.587 34.093 -17.593 1.00 2.03 O ATOM 276 ND2 ASN A 20 -2.044 33.578 -19.700 1.00 1.59 N ATOM 0 H ASN A 20 1.293 33.023 -17.788 1.00 1.10 H new ATOM 0 HA ASN A 20 -1.020 32.978 -15.950 1.00 1.07 H new ATOM 0 HB2 ASN A 20 -0.548 31.850 -18.740 1.00 1.19 H new ATOM 0 HB3 ASN A 20 -1.892 31.328 -17.744 1.00 1.19 H new ATOM 0 HD21 ASN A 20 -2.540 34.389 -20.071 1.00 1.59 H new ATOM 0 HD22 ASN A 20 -1.564 32.940 -20.334 1.00 1.59 H new ATOM 283 N PHE A 21 1.185 30.632 -16.528 1.00 0.88 N ATOM 284 CA PHE A 21 1.650 29.318 -16.096 1.00 0.80 C ATOM 285 C PHE A 21 3.157 29.308 -15.869 1.00 0.75 C ATOM 286 O PHE A 21 3.796 30.354 -15.852 1.00 0.79 O ATOM 287 CB PHE A 21 1.262 28.254 -17.134 1.00 0.87 C ATOM 288 CG PHE A 21 1.938 28.411 -18.469 1.00 0.94 C ATOM 289 CD1 PHE A 21 2.968 27.562 -18.834 1.00 0.97 C ATOM 290 CD2 PHE A 21 1.542 29.399 -19.358 1.00 1.14 C ATOM 291 CE1 PHE A 21 3.594 27.691 -20.056 1.00 1.05 C ATOM 292 CE2 PHE A 21 2.168 29.535 -20.584 1.00 1.25 C ATOM 293 CZ PHE A 21 3.195 28.679 -20.932 1.00 1.15 C ATOM 0 H PHE A 21 1.790 31.095 -17.206 1.00 0.88 H new ATOM 0 HA PHE A 21 1.168 29.086 -15.146 1.00 0.80 H new ATOM 0 HB2 PHE A 21 1.501 27.269 -16.733 1.00 0.87 H new ATOM 0 HB3 PHE A 21 0.182 28.285 -17.281 1.00 0.87 H new ATOM 0 HD1 PHE A 21 3.286 26.787 -18.152 1.00 0.97 H new ATOM 0 HD2 PHE A 21 0.738 30.068 -19.091 1.00 1.14 H new ATOM 0 HE1 PHE A 21 4.395 27.020 -20.327 1.00 1.05 H new ATOM 0 HE2 PHE A 21 1.854 30.309 -21.268 1.00 1.25 H new ATOM 0 HZ PHE A 21 3.685 28.783 -21.889 1.00 1.15 H new ATOM 303 N GLY A 22 3.709 28.124 -15.668 1.00 0.71 N ATOM 304 CA GLY A 22 5.139 27.976 -15.530 1.00 0.68 C ATOM 305 C GLY A 22 5.552 26.525 -15.599 1.00 0.66 C ATOM 306 O GLY A 22 4.746 25.660 -15.947 1.00 0.70 O ATOM 0 H GLY A 22 3.184 27.253 -15.597 1.00 0.71 H new ATOM 0 HA2 GLY A 22 5.642 28.537 -16.318 1.00 0.68 H new ATOM 0 HA3 GLY A 22 5.460 28.403 -14.580 1.00 0.68 H new ATOM 310 N PHE A 23 6.800 26.251 -15.272 1.00 0.66 N ATOM 311 CA PHE A 23 7.308 24.889 -15.271 1.00 0.65 C ATOM 312 C PHE A 23 8.147 24.655 -14.028 1.00 0.56 C ATOM 313 O PHE A 23 8.868 25.553 -13.575 1.00 0.59 O ATOM 314 CB PHE A 23 8.137 24.603 -16.526 1.00 0.76 C ATOM 315 CG PHE A 23 7.327 24.574 -17.792 1.00 0.85 C ATOM 316 CD1 PHE A 23 6.586 23.451 -18.124 1.00 0.88 C ATOM 317 CD2 PHE A 23 7.309 25.664 -18.646 1.00 0.98 C ATOM 318 CE1 PHE A 23 5.842 23.417 -19.287 1.00 0.98 C ATOM 319 CE2 PHE A 23 6.566 25.636 -19.809 1.00 1.08 C ATOM 320 CZ PHE A 23 5.831 24.512 -20.130 1.00 1.06 C ATOM 0 H PHE A 23 7.486 26.956 -15.002 1.00 0.66 H new ATOM 0 HA PHE A 23 6.457 24.208 -15.269 1.00 0.65 H new ATOM 0 HB2 PHE A 23 8.913 25.363 -16.619 1.00 0.76 H new ATOM 0 HB3 PHE A 23 8.642 23.645 -16.406 1.00 0.76 H new ATOM 0 HD1 PHE A 23 6.590 22.594 -17.467 1.00 0.88 H new ATOM 0 HD2 PHE A 23 7.882 26.545 -18.399 1.00 0.98 H new ATOM 0 HE1 PHE A 23 5.270 22.536 -19.537 1.00 0.98 H new ATOM 0 HE2 PHE A 23 6.560 26.492 -20.467 1.00 1.08 H new ATOM 0 HZ PHE A 23 5.248 24.489 -21.039 1.00 1.06 H new ATOM 330 N ILE A 24 8.045 23.460 -13.475 1.00 0.54 N ATOM 331 CA ILE A 24 8.783 23.119 -12.277 1.00 0.48 C ATOM 332 C ILE A 24 9.806 22.040 -12.580 1.00 0.54 C ATOM 333 O ILE A 24 9.453 20.950 -13.037 1.00 0.61 O ATOM 334 CB ILE A 24 7.856 22.609 -11.154 1.00 0.42 C ATOM 335 CG1 ILE A 24 6.707 23.592 -10.912 1.00 0.41 C ATOM 336 CG2 ILE A 24 8.654 22.398 -9.871 1.00 0.40 C ATOM 337 CD1 ILE A 24 5.685 23.089 -9.917 1.00 0.41 C ATOM 0 H ILE A 24 7.457 22.710 -13.838 1.00 0.54 H new ATOM 0 HA ILE A 24 9.276 24.030 -11.939 1.00 0.48 H new ATOM 0 HB ILE A 24 7.429 21.655 -11.464 1.00 0.42 H new ATOM 0 HG12 ILE A 24 7.116 24.537 -10.555 1.00 0.41 H new ATOM 0 HG13 ILE A 24 6.210 23.798 -11.860 1.00 0.41 H new ATOM 0 HG21 ILE A 24 7.990 22.038 -9.085 1.00 0.40 H new ATOM 0 HG22 ILE A 24 9.439 21.663 -10.048 1.00 0.40 H new ATOM 0 HG23 ILE A 24 9.103 23.342 -9.563 1.00 0.40 H new ATOM 0 HD11 ILE A 24 4.900 23.835 -9.793 1.00 0.41 H new ATOM 0 HD12 ILE A 24 5.248 22.159 -10.282 1.00 0.41 H new ATOM 0 HD13 ILE A 24 6.169 22.910 -8.957 1.00 0.41 H new ATOM 349 N GLU A 25 11.066 22.352 -12.341 1.00 0.58 N ATOM 350 CA GLU A 25 12.114 21.357 -12.421 1.00 0.67 C ATOM 351 C GLU A 25 11.973 20.398 -11.256 1.00 0.64 C ATOM 352 O GLU A 25 12.008 20.814 -10.092 1.00 0.63 O ATOM 353 CB GLU A 25 13.495 22.013 -12.403 1.00 0.78 C ATOM 354 CG GLU A 25 13.897 22.644 -13.728 1.00 0.95 C ATOM 355 CD GLU A 25 14.088 21.616 -14.827 1.00 1.60 C ATOM 356 OE1 GLU A 25 15.167 20.988 -14.870 1.00 2.07 O ATOM 357 OE2 GLU A 25 13.166 21.442 -15.647 1.00 2.30 O ATOM 0 H GLU A 25 11.387 23.287 -12.090 1.00 0.58 H new ATOM 0 HA GLU A 25 12.017 20.813 -13.361 1.00 0.67 H new ATOM 0 HB2 GLU A 25 13.512 22.779 -11.627 1.00 0.78 H new ATOM 0 HB3 GLU A 25 14.238 21.264 -12.128 1.00 0.78 H new ATOM 0 HG2 GLU A 25 13.133 23.359 -14.033 1.00 0.95 H new ATOM 0 HG3 GLU A 25 14.822 23.204 -13.594 1.00 0.95 H new ATOM 364 N THR A 26 11.771 19.128 -11.565 1.00 0.68 N ATOM 365 CA THR A 26 11.645 18.118 -10.538 1.00 0.69 C ATOM 366 C THR A 26 12.928 18.026 -9.730 1.00 0.71 C ATOM 367 O THR A 26 14.001 18.390 -10.211 1.00 0.82 O ATOM 368 CB THR A 26 11.290 16.740 -11.126 1.00 0.79 C ATOM 369 OG1 THR A 26 12.074 16.481 -12.304 1.00 0.84 O ATOM 370 CG2 THR A 26 9.807 16.667 -11.458 1.00 0.87 C ATOM 0 H THR A 26 11.691 18.776 -12.519 1.00 0.68 H new ATOM 0 HA THR A 26 10.826 18.418 -9.884 1.00 0.69 H new ATOM 0 HB THR A 26 11.517 15.979 -10.379 1.00 0.79 H new ATOM 0 HG1 THR A 26 11.649 16.903 -13.079 1.00 0.84 H new ATOM 0 HG21 THR A 26 9.575 15.686 -11.872 1.00 0.87 H new ATOM 0 HG22 THR A 26 9.223 16.825 -10.551 1.00 0.87 H new ATOM 0 HG23 THR A 26 9.559 17.437 -12.188 1.00 0.87 H new ATOM 378 N LEU A 27 12.811 17.546 -8.502 1.00 0.68 N ATOM 379 CA LEU A 27 13.944 17.464 -7.595 1.00 0.74 C ATOM 380 C LEU A 27 15.103 16.683 -8.214 1.00 0.89 C ATOM 381 O LEU A 27 16.268 16.987 -7.970 1.00 1.00 O ATOM 382 CB LEU A 27 13.522 16.789 -6.295 1.00 0.74 C ATOM 383 CG LEU A 27 14.500 16.984 -5.141 1.00 0.80 C ATOM 384 CD1 LEU A 27 14.519 18.440 -4.703 1.00 1.48 C ATOM 385 CD2 LEU A 27 14.146 16.077 -3.980 1.00 1.58 C ATOM 0 H LEU A 27 11.934 17.205 -8.108 1.00 0.68 H new ATOM 0 HA LEU A 27 14.282 18.481 -7.395 1.00 0.74 H new ATOM 0 HB2 LEU A 27 12.547 17.175 -5.999 1.00 0.74 H new ATOM 0 HB3 LEU A 27 13.400 15.721 -6.476 1.00 0.74 H new ATOM 0 HG LEU A 27 15.499 16.716 -5.486 1.00 0.80 H new ATOM 0 HD11 LEU A 27 15.222 18.563 -3.879 1.00 1.48 H new ATOM 0 HD12 LEU A 27 14.827 19.068 -5.539 1.00 1.48 H new ATOM 0 HD13 LEU A 27 13.522 18.735 -4.377 1.00 1.48 H new ATOM 0 HD21 LEU A 27 14.856 16.232 -3.168 1.00 1.58 H new ATOM 0 HD22 LEU A 27 13.139 16.308 -3.631 1.00 1.58 H new ATOM 0 HD23 LEU A 27 14.188 15.037 -4.305 1.00 1.58 H new ATOM 397 N SER A 28 14.772 15.676 -9.010 1.00 0.97 N ATOM 398 CA SER A 28 15.780 14.838 -9.634 1.00 1.16 C ATOM 399 C SER A 28 16.041 15.260 -11.082 1.00 1.12 C ATOM 400 O SER A 28 16.773 14.581 -11.800 1.00 1.25 O ATOM 401 CB SER A 28 15.328 13.378 -9.585 1.00 1.34 C ATOM 402 OG SER A 28 13.993 13.243 -10.049 1.00 2.04 O ATOM 0 H SER A 28 13.811 15.421 -9.238 1.00 0.97 H new ATOM 0 HA SER A 28 16.713 14.954 -9.083 1.00 1.16 H new ATOM 0 HB2 SER A 28 15.993 12.767 -10.196 1.00 1.34 H new ATOM 0 HB3 SER A 28 15.401 13.005 -8.563 1.00 1.34 H new ATOM 0 HG SER A 28 13.727 12.301 -10.010 1.00 2.04 H new ATOM 408 N HIS A 29 15.429 16.384 -11.489 1.00 1.00 N ATOM 409 CA HIS A 29 15.514 16.924 -12.861 1.00 1.01 C ATOM 410 C HIS A 29 15.449 15.821 -13.919 1.00 1.02 C ATOM 411 O HIS A 29 16.164 15.840 -14.921 1.00 1.13 O ATOM 412 CB HIS A 29 16.764 17.818 -13.051 1.00 1.17 C ATOM 413 CG HIS A 29 18.099 17.131 -12.942 1.00 1.75 C ATOM 414 ND1 HIS A 29 18.873 16.781 -14.028 1.00 2.53 N ATOM 415 CD2 HIS A 29 18.816 16.778 -11.844 1.00 2.06 C ATOM 416 CE1 HIS A 29 20.008 16.241 -13.567 1.00 3.29 C ATOM 417 NE2 HIS A 29 20.026 16.216 -12.247 1.00 3.03 N ATOM 0 H HIS A 29 14.853 16.953 -10.868 1.00 1.00 H new ATOM 0 HA HIS A 29 14.637 17.556 -13.003 1.00 1.01 H new ATOM 0 HB2 HIS A 29 16.701 18.290 -14.032 1.00 1.17 H new ATOM 0 HB3 HIS A 29 16.729 18.617 -12.310 1.00 1.17 H new ATOM 0 HD2 HIS A 29 18.499 16.912 -10.820 1.00 2.06 H new ATOM 0 HE1 HIS A 29 20.806 15.873 -14.194 1.00 3.29 H new ATOM 0 HE2 HIS A 29 20.770 15.860 -11.647 1.00 3.03 H new ATOM 425 N ASP A 30 14.552 14.871 -13.695 1.00 1.05 N ATOM 426 CA ASP A 30 14.408 13.725 -14.584 1.00 1.17 C ATOM 427 C ASP A 30 13.023 13.731 -15.230 1.00 1.15 C ATOM 428 O ASP A 30 12.783 13.064 -16.234 1.00 1.31 O ATOM 429 CB ASP A 30 14.617 12.426 -13.794 1.00 1.31 C ATOM 430 CG ASP A 30 14.761 11.203 -14.686 1.00 2.12 C ATOM 431 OD1 ASP A 30 13.731 10.592 -15.041 1.00 2.89 O ATOM 432 OD2 ASP A 30 15.910 10.829 -15.015 1.00 2.47 O ATOM 0 H ASP A 30 13.910 14.871 -12.902 1.00 1.05 H new ATOM 0 HA ASP A 30 15.160 13.788 -15.370 1.00 1.17 H new ATOM 0 HB2 ASP A 30 15.509 12.524 -13.175 1.00 1.31 H new ATOM 0 HB3 ASP A 30 13.774 12.279 -13.119 1.00 1.31 H new ATOM 437 N GLU A 31 12.121 14.514 -14.656 1.00 1.06 N ATOM 438 CA GLU A 31 10.736 14.540 -15.102 1.00 1.19 C ATOM 439 C GLU A 31 10.270 15.984 -15.277 1.00 1.07 C ATOM 440 O GLU A 31 10.725 16.877 -14.558 1.00 0.94 O ATOM 441 CB GLU A 31 9.858 13.807 -14.081 1.00 1.37 C ATOM 442 CG GLU A 31 8.417 13.622 -14.519 1.00 1.33 C ATOM 443 CD GLU A 31 8.311 12.840 -15.807 1.00 1.49 C ATOM 444 OE1 GLU A 31 8.392 13.458 -16.890 1.00 1.80 O ATOM 445 OE2 GLU A 31 8.133 11.608 -15.740 1.00 1.65 O ATOM 0 H GLU A 31 12.325 15.141 -13.878 1.00 1.06 H new ATOM 0 HA GLU A 31 10.653 14.036 -16.065 1.00 1.19 H new ATOM 0 HB2 GLU A 31 10.294 12.828 -13.880 1.00 1.37 H new ATOM 0 HB3 GLU A 31 9.872 14.361 -13.142 1.00 1.37 H new ATOM 0 HG2 GLU A 31 7.864 13.105 -13.735 1.00 1.33 H new ATOM 0 HG3 GLU A 31 7.950 14.598 -14.648 1.00 1.33 H new ATOM 452 N GLU A 32 9.368 16.200 -16.222 1.00 1.20 N ATOM 453 CA GLU A 32 8.871 17.536 -16.523 1.00 1.14 C ATOM 454 C GLU A 32 7.426 17.663 -16.061 1.00 1.04 C ATOM 455 O GLU A 32 6.589 16.811 -16.369 1.00 1.17 O ATOM 456 CB GLU A 32 9.005 17.814 -18.029 1.00 1.41 C ATOM 457 CG GLU A 32 8.509 19.184 -18.476 1.00 1.85 C ATOM 458 CD GLU A 32 7.054 19.179 -18.912 1.00 2.71 C ATOM 459 OE1 GLU A 32 6.210 19.763 -18.206 1.00 3.37 O ATOM 460 OE2 GLU A 32 6.751 18.588 -19.973 1.00 3.06 O ATOM 0 H GLU A 32 8.962 15.462 -16.798 1.00 1.20 H new ATOM 0 HA GLU A 32 9.464 18.279 -15.989 1.00 1.14 H new ATOM 0 HB2 GLU A 32 10.053 17.714 -18.310 1.00 1.41 H new ATOM 0 HB3 GLU A 32 8.454 17.048 -18.575 1.00 1.41 H new ATOM 0 HG2 GLU A 32 8.634 19.894 -17.658 1.00 1.85 H new ATOM 0 HG3 GLU A 32 9.128 19.536 -19.301 1.00 1.85 H new ATOM 467 N VAL A 33 7.139 18.709 -15.295 1.00 0.87 N ATOM 468 CA VAL A 33 5.792 18.927 -14.790 1.00 0.80 C ATOM 469 C VAL A 33 5.270 20.296 -15.199 1.00 0.75 C ATOM 470 O VAL A 33 5.821 21.330 -14.801 1.00 0.71 O ATOM 471 CB VAL A 33 5.706 18.821 -13.252 1.00 0.71 C ATOM 472 CG1 VAL A 33 4.255 18.866 -12.804 1.00 0.78 C ATOM 473 CG2 VAL A 33 6.386 17.564 -12.739 1.00 0.76 C ATOM 0 H VAL A 33 7.818 19.415 -15.012 1.00 0.87 H new ATOM 0 HA VAL A 33 5.182 18.138 -15.230 1.00 0.80 H new ATOM 0 HB VAL A 33 6.234 19.674 -12.827 1.00 0.71 H new ATOM 0 HG11 VAL A 33 4.207 18.790 -11.718 1.00 0.78 H new ATOM 0 HG12 VAL A 33 3.805 19.806 -13.123 1.00 0.78 H new ATOM 0 HG13 VAL A 33 3.711 18.034 -13.250 1.00 0.78 H new ATOM 0 HG21 VAL A 33 6.305 17.524 -11.653 1.00 0.76 H new ATOM 0 HG22 VAL A 33 5.904 16.687 -13.171 1.00 0.76 H new ATOM 0 HG23 VAL A 33 7.438 17.577 -13.024 1.00 0.76 H new ATOM 483 N PHE A 34 4.211 20.292 -15.994 1.00 0.83 N ATOM 484 CA PHE A 34 3.511 21.514 -16.343 1.00 0.82 C ATOM 485 C PHE A 34 2.694 22.012 -15.152 1.00 0.75 C ATOM 486 O PHE A 34 1.840 21.301 -14.617 1.00 0.78 O ATOM 487 CB PHE A 34 2.607 21.288 -17.564 1.00 0.94 C ATOM 488 CG PHE A 34 1.454 22.248 -17.648 1.00 0.95 C ATOM 489 CD1 PHE A 34 0.161 21.798 -17.441 1.00 1.02 C ATOM 490 CD2 PHE A 34 1.659 23.594 -17.910 1.00 0.93 C ATOM 491 CE1 PHE A 34 -0.905 22.669 -17.493 1.00 1.06 C ATOM 492 CE2 PHE A 34 0.592 24.469 -17.966 1.00 0.97 C ATOM 493 CZ PHE A 34 -0.690 24.003 -17.755 1.00 1.04 C ATOM 0 H PHE A 34 3.817 19.449 -16.411 1.00 0.83 H new ATOM 0 HA PHE A 34 4.247 22.276 -16.601 1.00 0.82 H new ATOM 0 HB2 PHE A 34 3.207 21.374 -18.470 1.00 0.94 H new ATOM 0 HB3 PHE A 34 2.219 20.270 -17.534 1.00 0.94 H new ATOM 0 HD1 PHE A 34 -0.014 20.752 -17.236 1.00 1.02 H new ATOM 0 HD2 PHE A 34 2.662 23.961 -18.072 1.00 0.93 H new ATOM 0 HE1 PHE A 34 -1.909 22.305 -17.328 1.00 1.06 H new ATOM 0 HE2 PHE A 34 0.760 25.515 -18.174 1.00 0.97 H new ATOM 0 HZ PHE A 34 -1.526 24.686 -17.796 1.00 1.04 H new ATOM 503 N PHE A 35 2.970 23.234 -14.739 1.00 0.68 N ATOM 504 CA PHE A 35 2.273 23.845 -13.625 1.00 0.65 C ATOM 505 C PHE A 35 1.677 25.188 -14.034 1.00 0.66 C ATOM 506 O PHE A 35 2.371 26.067 -14.534 1.00 0.67 O ATOM 507 CB PHE A 35 3.237 23.984 -12.434 1.00 0.62 C ATOM 508 CG PHE A 35 2.939 25.127 -11.503 1.00 0.80 C ATOM 509 CD1 PHE A 35 3.701 26.285 -11.551 1.00 1.17 C ATOM 510 CD2 PHE A 35 1.911 25.044 -10.582 1.00 1.23 C ATOM 511 CE1 PHE A 35 3.439 27.337 -10.697 1.00 1.72 C ATOM 512 CE2 PHE A 35 1.644 26.094 -9.726 1.00 1.76 C ATOM 513 CZ PHE A 35 2.408 27.242 -9.783 1.00 1.96 C ATOM 0 H PHE A 35 3.681 23.829 -15.165 1.00 0.68 H new ATOM 0 HA PHE A 35 1.442 23.208 -13.320 1.00 0.65 H new ATOM 0 HB2 PHE A 35 3.220 23.056 -11.862 1.00 0.62 H new ATOM 0 HB3 PHE A 35 4.250 24.103 -12.818 1.00 0.62 H new ATOM 0 HD1 PHE A 35 4.508 26.364 -12.264 1.00 1.17 H new ATOM 0 HD2 PHE A 35 1.310 24.148 -10.532 1.00 1.23 H new ATOM 0 HE1 PHE A 35 4.039 28.233 -10.743 1.00 1.72 H new ATOM 0 HE2 PHE A 35 0.837 26.017 -9.012 1.00 1.76 H new ATOM 0 HZ PHE A 35 2.200 28.064 -9.114 1.00 1.96 H new ATOM 523 N HIS A 36 0.376 25.324 -13.846 1.00 0.72 N ATOM 524 CA HIS A 36 -0.314 26.566 -14.152 1.00 0.74 C ATOM 525 C HIS A 36 -0.558 27.324 -12.848 1.00 0.70 C ATOM 526 O HIS A 36 -0.830 26.710 -11.822 1.00 0.74 O ATOM 527 CB HIS A 36 -1.634 26.252 -14.865 1.00 0.84 C ATOM 528 CG HIS A 36 -2.150 27.353 -15.739 1.00 0.94 C ATOM 529 ND1 HIS A 36 -1.927 27.417 -17.097 1.00 1.06 N ATOM 530 CD2 HIS A 36 -2.908 28.434 -15.435 1.00 1.15 C ATOM 531 CE1 HIS A 36 -2.540 28.511 -17.565 1.00 1.12 C ATOM 532 NE2 HIS A 36 -3.151 29.163 -16.595 1.00 1.18 N ATOM 0 H HIS A 36 -0.227 24.586 -13.481 1.00 0.72 H new ATOM 0 HA HIS A 36 0.289 27.188 -14.813 1.00 0.74 H new ATOM 0 HB2 HIS A 36 -1.499 25.357 -15.473 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -2.389 26.017 -14.115 1.00 0.84 H new ATOM 0 HD2 HIS A 36 -3.267 28.689 -14.449 1.00 1.15 H new ATOM 0 HE1 HIS A 36 -2.535 28.819 -18.600 1.00 1.12 H new ATOM 0 HE2 HIS A 36 -3.691 30.025 -16.678 1.00 1.18 H new ATOM 540 N PHE A 37 -0.442 28.643 -12.868 1.00 0.68 N ATOM 541 CA PHE A 37 -0.578 29.423 -11.635 1.00 0.67 C ATOM 542 C PHE A 37 -2.015 29.442 -11.122 1.00 0.73 C ATOM 543 O PHE A 37 -2.254 29.699 -9.946 1.00 0.75 O ATOM 544 CB PHE A 37 -0.079 30.848 -11.836 1.00 0.71 C ATOM 545 CG PHE A 37 1.415 30.968 -11.749 1.00 0.68 C ATOM 546 CD1 PHE A 37 2.192 31.051 -12.891 1.00 0.73 C ATOM 547 CD2 PHE A 37 2.042 30.994 -10.514 1.00 0.69 C ATOM 548 CE1 PHE A 37 3.567 31.155 -12.805 1.00 0.74 C ATOM 549 CE2 PHE A 37 3.416 31.098 -10.420 1.00 0.72 C ATOM 550 CZ PHE A 37 4.179 31.179 -11.568 1.00 0.73 C ATOM 0 H PHE A 37 -0.257 29.194 -13.706 1.00 0.68 H new ATOM 0 HA PHE A 37 0.038 28.932 -10.882 1.00 0.67 H new ATOM 0 HB2 PHE A 37 -0.410 31.208 -12.810 1.00 0.71 H new ATOM 0 HB3 PHE A 37 -0.534 31.495 -11.086 1.00 0.71 H new ATOM 0 HD1 PHE A 37 1.718 31.034 -13.861 1.00 0.73 H new ATOM 0 HD2 PHE A 37 1.449 30.932 -9.613 1.00 0.69 H new ATOM 0 HE1 PHE A 37 4.162 31.217 -13.704 1.00 0.74 H new ATOM 0 HE2 PHE A 37 3.892 31.116 -9.451 1.00 0.72 H new ATOM 0 HZ PHE A 37 5.254 31.261 -11.498 1.00 0.73 H new ATOM 560 N SER A 38 -2.962 29.169 -12.005 1.00 0.80 N ATOM 561 CA SER A 38 -4.374 29.132 -11.631 1.00 0.90 C ATOM 562 C SER A 38 -4.642 28.049 -10.578 1.00 0.92 C ATOM 563 O SER A 38 -5.543 28.192 -9.751 1.00 1.07 O ATOM 564 CB SER A 38 -5.250 28.902 -12.870 1.00 0.98 C ATOM 565 OG SER A 38 -6.631 29.042 -12.568 1.00 1.63 O ATOM 0 H SER A 38 -2.782 28.969 -12.989 1.00 0.80 H new ATOM 0 HA SER A 38 -4.631 30.097 -11.193 1.00 0.90 H new ATOM 0 HB2 SER A 38 -4.973 29.613 -13.649 1.00 0.98 H new ATOM 0 HB3 SER A 38 -5.063 27.905 -13.268 1.00 0.98 H new ATOM 0 HG SER A 38 -7.160 28.891 -13.379 1.00 1.63 H new ATOM 571 N ASN A 39 -3.853 26.977 -10.595 1.00 0.82 N ATOM 572 CA ASN A 39 -4.025 25.893 -9.637 1.00 0.87 C ATOM 573 C ASN A 39 -3.011 26.015 -8.506 1.00 0.80 C ATOM 574 O ASN A 39 -2.753 25.053 -7.776 1.00 0.87 O ATOM 575 CB ASN A 39 -3.878 24.531 -10.321 1.00 0.92 C ATOM 576 CG ASN A 39 -2.614 24.435 -11.152 1.00 1.28 C ATOM 577 OD1 ASN A 39 -2.651 24.552 -12.377 1.00 2.07 O ATOM 578 ND2 ASN A 39 -1.482 24.260 -10.493 1.00 1.54 N ATOM 0 H ASN A 39 -3.092 26.838 -11.260 1.00 0.82 H new ATOM 0 HA ASN A 39 -5.031 25.968 -9.223 1.00 0.87 H new ATOM 0 HB2 ASN A 39 -3.873 23.746 -9.564 1.00 0.92 H new ATOM 0 HB3 ASN A 39 -4.743 24.353 -10.959 1.00 0.92 H new ATOM 0 HD21 ASN A 39 -0.598 24.218 -11.000 1.00 1.54 H new ATOM 0 HD22 ASN A 39 -1.492 24.167 -9.477 1.00 1.54 H new ATOM 585 N TYR A 40 -2.422 27.191 -8.375 1.00 0.72 N ATOM 586 CA TYR A 40 -1.475 27.458 -7.307 1.00 0.66 C ATOM 587 C TYR A 40 -2.193 28.056 -6.102 1.00 0.73 C ATOM 588 O TYR A 40 -2.952 29.017 -6.232 1.00 0.87 O ATOM 589 CB TYR A 40 -0.375 28.404 -7.796 1.00 0.65 C ATOM 590 CG TYR A 40 0.565 28.861 -6.703 1.00 0.59 C ATOM 591 CD1 TYR A 40 1.412 27.963 -6.067 1.00 0.55 C ATOM 592 CD2 TYR A 40 0.596 30.191 -6.302 1.00 0.75 C ATOM 593 CE1 TYR A 40 2.260 28.376 -5.059 1.00 0.64 C ATOM 594 CE2 TYR A 40 1.444 30.611 -5.300 1.00 0.81 C ATOM 595 CZ TYR A 40 2.271 29.700 -4.680 1.00 0.74 C ATOM 596 OH TYR A 40 3.109 30.117 -3.674 1.00 0.91 O ATOM 0 H TYR A 40 -2.585 27.981 -9.000 1.00 0.72 H new ATOM 0 HA TYR A 40 -1.014 26.517 -7.006 1.00 0.66 H new ATOM 0 HB2 TYR A 40 0.202 27.904 -8.574 1.00 0.65 H new ATOM 0 HB3 TYR A 40 -0.837 29.278 -8.254 1.00 0.65 H new ATOM 0 HD1 TYR A 40 1.407 26.925 -6.366 1.00 0.55 H new ATOM 0 HD2 TYR A 40 -0.054 30.907 -6.783 1.00 0.75 H new ATOM 0 HE1 TYR A 40 2.911 27.665 -4.571 1.00 0.64 H new ATOM 0 HE2 TYR A 40 1.460 31.649 -5.002 1.00 0.81 H new ATOM 0 HH TYR A 40 3.174 31.095 -3.686 1.00 0.91 H new ATOM 606 N MET A 41 -1.953 27.484 -4.930 1.00 0.69 N ATOM 607 CA MET A 41 -2.591 27.964 -3.714 1.00 0.79 C ATOM 608 C MET A 41 -1.575 28.666 -2.824 1.00 0.77 C ATOM 609 O MET A 41 -0.885 28.036 -2.018 1.00 0.77 O ATOM 610 CB MET A 41 -3.268 26.808 -2.970 1.00 0.87 C ATOM 611 CG MET A 41 -4.018 27.230 -1.713 1.00 1.35 C ATOM 612 SD MET A 41 -5.040 25.910 -1.032 1.00 1.73 S ATOM 613 CE MET A 41 -3.812 24.654 -0.685 1.00 1.39 C ATOM 0 H MET A 41 -1.325 26.692 -4.797 1.00 0.69 H new ATOM 0 HA MET A 41 -3.361 28.686 -3.986 1.00 0.79 H new ATOM 0 HB2 MET A 41 -3.965 26.313 -3.647 1.00 0.87 H new ATOM 0 HB3 MET A 41 -2.511 26.072 -2.698 1.00 0.87 H new ATOM 0 HG2 MET A 41 -3.301 27.553 -0.959 1.00 1.35 H new ATOM 0 HG3 MET A 41 -4.648 28.089 -1.943 1.00 1.35 H new ATOM 0 HE1 MET A 41 -4.310 23.724 -0.411 1.00 1.39 H new ATOM 0 HE2 MET A 41 -3.199 24.490 -1.571 1.00 1.39 H new ATOM 0 HE3 MET A 41 -3.178 24.983 0.139 1.00 1.39 H new ATOM 623 N GLY A 42 -1.472 29.972 -3.004 1.00 0.87 N ATOM 624 CA GLY A 42 -0.530 30.764 -2.248 1.00 0.91 C ATOM 625 C GLY A 42 -0.487 32.189 -2.755 1.00 0.92 C ATOM 626 O GLY A 42 -1.529 32.812 -2.939 1.00 1.05 O ATOM 0 H GLY A 42 -2.033 30.503 -3.670 1.00 0.87 H new ATOM 0 HA2 GLY A 42 -0.808 30.758 -1.194 1.00 0.91 H new ATOM 0 HA3 GLY A 42 0.463 30.319 -2.318 1.00 0.91 H new ATOM 630 N ASN A 43 0.711 32.696 -3.009 1.00 0.89 N ATOM 631 CA ASN A 43 0.873 34.046 -3.542 1.00 0.91 C ATOM 632 C ASN A 43 2.131 34.136 -4.401 1.00 0.83 C ATOM 633 O ASN A 43 3.249 34.061 -3.891 1.00 0.83 O ATOM 634 CB ASN A 43 0.927 35.076 -2.407 1.00 1.02 C ATOM 635 CG ASN A 43 1.145 36.495 -2.909 1.00 1.48 C ATOM 636 OD1 ASN A 43 0.815 36.828 -4.046 1.00 2.14 O ATOM 637 ND2 ASN A 43 1.691 37.343 -2.054 1.00 2.03 N ATOM 0 H ASN A 43 1.586 32.195 -2.856 1.00 0.89 H new ATOM 0 HA ASN A 43 0.009 34.270 -4.168 1.00 0.91 H new ATOM 0 HB2 ASN A 43 -0.003 35.035 -1.841 1.00 1.02 H new ATOM 0 HB3 ASN A 43 1.731 34.811 -1.720 1.00 1.02 H new ATOM 0 HD21 ASN A 43 1.852 38.312 -2.329 1.00 2.03 H new ATOM 0 HD22 ASN A 43 1.951 37.028 -1.119 1.00 2.03 H new ATOM 644 N PRO A 44 1.962 34.303 -5.724 1.00 0.84 N ATOM 645 CA PRO A 44 3.079 34.306 -6.675 1.00 0.82 C ATOM 646 C PRO A 44 3.938 35.566 -6.597 1.00 0.88 C ATOM 647 O PRO A 44 5.067 35.584 -7.085 1.00 0.91 O ATOM 648 CB PRO A 44 2.381 34.208 -8.033 1.00 0.92 C ATOM 649 CG PRO A 44 1.037 34.811 -7.817 1.00 1.01 C ATOM 650 CD PRO A 44 0.659 34.486 -6.397 1.00 0.93 C ATOM 0 HA PRO A 44 3.779 33.495 -6.474 1.00 0.82 H new ATOM 0 HB2 PRO A 44 2.936 34.745 -8.802 1.00 0.92 H new ATOM 0 HB3 PRO A 44 2.301 33.172 -8.362 1.00 0.92 H new ATOM 0 HG2 PRO A 44 1.063 35.889 -7.977 1.00 1.01 H new ATOM 0 HG3 PRO A 44 0.309 34.402 -8.518 1.00 1.01 H new ATOM 0 HD2 PRO A 44 0.082 35.291 -5.941 1.00 0.93 H new ATOM 0 HD3 PRO A 44 0.049 33.585 -6.341 1.00 0.93 H new ATOM 658 N ASN A 45 3.415 36.609 -5.966 1.00 0.94 N ATOM 659 CA ASN A 45 4.142 37.871 -5.847 1.00 1.05 C ATOM 660 C ASN A 45 5.348 37.730 -4.923 1.00 1.04 C ATOM 661 O ASN A 45 6.248 38.570 -4.932 1.00 1.15 O ATOM 662 CB ASN A 45 3.222 38.979 -5.337 1.00 1.15 C ATOM 663 CG ASN A 45 2.231 39.444 -6.385 1.00 1.43 C ATOM 664 OD1 ASN A 45 1.134 38.904 -6.506 1.00 2.08 O ATOM 665 ND2 ASN A 45 2.612 40.456 -7.149 1.00 1.88 N ATOM 0 H ASN A 45 2.493 36.609 -5.529 1.00 0.94 H new ATOM 0 HA ASN A 45 4.500 38.138 -6.841 1.00 1.05 H new ATOM 0 HB2 ASN A 45 2.679 38.621 -4.463 1.00 1.15 H new ATOM 0 HB3 ASN A 45 3.826 39.826 -5.012 1.00 1.15 H new ATOM 0 HD21 ASN A 45 1.986 40.815 -7.870 1.00 1.88 H new ATOM 0 HD22 ASN A 45 3.532 40.877 -7.017 1.00 1.88 H new ATOM 672 N TRP A 46 5.368 36.664 -4.131 1.00 0.98 N ATOM 673 CA TRP A 46 6.474 36.420 -3.216 1.00 1.04 C ATOM 674 C TRP A 46 7.233 35.154 -3.598 1.00 0.96 C ATOM 675 O TRP A 46 7.986 34.593 -2.797 1.00 1.02 O ATOM 676 CB TRP A 46 5.970 36.328 -1.779 1.00 1.10 C ATOM 677 CG TRP A 46 5.679 37.670 -1.183 1.00 1.28 C ATOM 678 CD1 TRP A 46 4.514 38.374 -1.266 1.00 1.30 C ATOM 679 CD2 TRP A 46 6.581 38.475 -0.422 1.00 1.56 C ATOM 680 NE1 TRP A 46 4.634 39.565 -0.594 1.00 1.52 N ATOM 681 CE2 TRP A 46 5.893 39.648 -0.063 1.00 1.67 C ATOM 682 CE3 TRP A 46 7.899 38.306 0.006 1.00 1.80 C ATOM 683 CZ2 TRP A 46 6.489 40.659 0.686 1.00 1.97 C ATOM 684 CZ3 TRP A 46 8.492 39.310 0.749 1.00 2.13 C ATOM 685 CH2 TRP A 46 7.784 40.470 1.090 1.00 2.18 C ATOM 0 H TRP A 46 4.633 35.958 -4.105 1.00 0.98 H new ATOM 0 HA TRP A 46 7.163 37.261 -3.289 1.00 1.04 H new ATOM 0 HB2 TRP A 46 5.066 35.720 -1.753 1.00 1.10 H new ATOM 0 HB3 TRP A 46 6.715 35.818 -1.169 1.00 1.10 H new ATOM 0 HD1 TRP A 46 3.626 38.043 -1.785 1.00 1.30 H new ATOM 0 HE1 TRP A 46 3.904 40.272 -0.505 1.00 1.52 H new ATOM 0 HE3 TRP A 46 8.446 37.407 -0.239 1.00 1.80 H new ATOM 0 HZ2 TRP A 46 5.950 41.560 0.939 1.00 1.97 H new ATOM 0 HZ3 TRP A 46 9.517 39.198 1.071 1.00 2.13 H new ATOM 0 HH2 TRP A 46 8.269 41.231 1.684 1.00 2.18 H new ATOM 696 N LEU A 47 7.026 34.714 -4.828 1.00 0.85 N ATOM 697 CA LEU A 47 7.775 33.598 -5.373 1.00 0.78 C ATOM 698 C LEU A 47 8.948 34.106 -6.191 1.00 0.82 C ATOM 699 O LEU A 47 9.010 35.285 -6.542 1.00 0.92 O ATOM 700 CB LEU A 47 6.887 32.709 -6.249 1.00 0.68 C ATOM 701 CG LEU A 47 5.936 31.785 -5.493 1.00 0.62 C ATOM 702 CD1 LEU A 47 5.037 31.040 -6.462 1.00 0.57 C ATOM 703 CD2 LEU A 47 6.719 30.798 -4.649 1.00 0.66 C ATOM 0 H LEU A 47 6.342 35.116 -5.469 1.00 0.85 H new ATOM 0 HA LEU A 47 8.142 33.002 -4.537 1.00 0.78 H new ATOM 0 HB2 LEU A 47 6.299 33.348 -6.907 1.00 0.68 H new ATOM 0 HB3 LEU A 47 7.528 32.100 -6.886 1.00 0.68 H new ATOM 0 HG LEU A 47 5.315 32.395 -4.837 1.00 0.62 H new ATOM 0 HD11 LEU A 47 4.366 30.386 -5.906 1.00 0.57 H new ATOM 0 HD12 LEU A 47 4.451 31.756 -7.039 1.00 0.57 H new ATOM 0 HD13 LEU A 47 5.648 30.442 -7.139 1.00 0.57 H new ATOM 0 HD21 LEU A 47 6.027 30.146 -4.116 1.00 0.66 H new ATOM 0 HD22 LEU A 47 7.361 30.197 -5.293 1.00 0.66 H new ATOM 0 HD23 LEU A 47 7.333 31.341 -3.930 1.00 0.66 H new ATOM 715 N GLU A 48 9.867 33.212 -6.489 1.00 0.81 N ATOM 716 CA GLU A 48 11.023 33.546 -7.291 1.00 0.89 C ATOM 717 C GLU A 48 11.541 32.295 -7.969 1.00 0.71 C ATOM 718 O GLU A 48 11.131 31.183 -7.633 1.00 0.62 O ATOM 719 CB GLU A 48 12.124 34.182 -6.431 1.00 1.15 C ATOM 720 CG GLU A 48 12.587 33.313 -5.270 1.00 1.48 C ATOM 721 CD GLU A 48 13.779 33.900 -4.537 1.00 1.86 C ATOM 722 OE1 GLU A 48 14.933 33.568 -4.900 1.00 2.35 O ATOM 723 OE2 GLU A 48 13.569 34.695 -3.596 1.00 2.13 O ATOM 0 H GLU A 48 9.834 32.239 -6.184 1.00 0.81 H new ATOM 0 HA GLU A 48 10.729 34.274 -8.047 1.00 0.89 H new ATOM 0 HB2 GLU A 48 12.981 34.408 -7.066 1.00 1.15 H new ATOM 0 HB3 GLU A 48 11.760 35.131 -6.038 1.00 1.15 H new ATOM 0 HG2 GLU A 48 11.763 33.182 -4.569 1.00 1.48 H new ATOM 0 HG3 GLU A 48 12.847 32.323 -5.644 1.00 1.48 H new ATOM 730 N LEU A 49 12.416 32.478 -8.937 1.00 0.75 N ATOM 731 CA LEU A 49 13.020 31.361 -9.623 1.00 0.67 C ATOM 732 C LEU A 49 13.962 30.629 -8.674 1.00 0.67 C ATOM 733 O LEU A 49 14.832 31.241 -8.059 1.00 0.73 O ATOM 734 CB LEU A 49 13.778 31.838 -10.871 1.00 0.76 C ATOM 735 CG LEU A 49 12.933 32.522 -11.960 1.00 0.85 C ATOM 736 CD1 LEU A 49 11.692 31.699 -12.279 1.00 1.40 C ATOM 737 CD2 LEU A 49 12.555 33.948 -11.565 1.00 1.11 C ATOM 0 H LEU A 49 12.723 33.394 -9.265 1.00 0.75 H new ATOM 0 HA LEU A 49 12.235 30.677 -9.946 1.00 0.67 H new ATOM 0 HB2 LEU A 49 14.556 32.533 -10.554 1.00 0.76 H new ATOM 0 HB3 LEU A 49 14.280 30.979 -11.316 1.00 0.76 H new ATOM 0 HG LEU A 49 13.544 32.583 -12.861 1.00 0.85 H new ATOM 0 HD11 LEU A 49 11.110 32.202 -13.051 1.00 1.40 H new ATOM 0 HD12 LEU A 49 11.991 30.713 -12.634 1.00 1.40 H new ATOM 0 HD13 LEU A 49 11.085 31.592 -11.380 1.00 1.40 H new ATOM 0 HD21 LEU A 49 11.959 34.399 -12.358 1.00 1.11 H new ATOM 0 HD22 LEU A 49 11.976 33.928 -10.642 1.00 1.11 H new ATOM 0 HD23 LEU A 49 13.460 34.535 -11.413 1.00 1.11 H new ATOM 749 N GLY A 50 13.762 29.331 -8.537 1.00 0.66 N ATOM 750 CA GLY A 50 14.572 28.550 -7.629 1.00 0.72 C ATOM 751 C GLY A 50 13.913 28.369 -6.275 1.00 0.69 C ATOM 752 O GLY A 50 14.476 27.727 -5.390 1.00 0.75 O ATOM 0 H GLY A 50 13.050 28.801 -9.040 1.00 0.66 H new ATOM 0 HA2 GLY A 50 14.766 27.572 -8.069 1.00 0.72 H new ATOM 0 HA3 GLY A 50 15.538 29.037 -7.497 1.00 0.72 H new ATOM 756 N GLN A 51 12.721 28.942 -6.112 1.00 0.62 N ATOM 757 CA GLN A 51 11.976 28.823 -4.860 1.00 0.60 C ATOM 758 C GLN A 51 11.519 27.386 -4.639 1.00 0.56 C ATOM 759 O GLN A 51 10.792 26.817 -5.458 1.00 0.53 O ATOM 760 CB GLN A 51 10.766 29.766 -4.858 1.00 0.59 C ATOM 761 CG GLN A 51 9.903 29.693 -3.598 1.00 0.60 C ATOM 762 CD GLN A 51 10.658 30.054 -2.330 1.00 0.70 C ATOM 763 OE1 GLN A 51 11.170 29.052 -1.632 1.00 1.06 O flip ATOM 764 NE2 GLN A 51 10.739 31.223 -1.960 1.00 0.87 N flip ATOM 0 H GLN A 51 12.251 29.493 -6.831 1.00 0.62 H new ATOM 0 HA GLN A 51 12.641 29.106 -4.044 1.00 0.60 H new ATOM 0 HB2 GLN A 51 11.120 30.790 -4.981 1.00 0.59 H new ATOM 0 HB3 GLN A 51 10.143 29.538 -5.723 1.00 0.59 H new ATOM 0 HG2 GLN A 51 9.052 30.365 -3.710 1.00 0.60 H new ATOM 0 HG3 GLN A 51 9.502 28.684 -3.499 1.00 0.60 H new ATOM 0 HE21 GLN A 51 10.331 31.967 -2.527 1.00 0.87 H new ATOM 0 HE22 GLN A 51 11.214 31.450 -1.086 1.00 0.87 H new ATOM 773 N GLU A 52 11.967 26.815 -3.531 1.00 0.57 N ATOM 774 CA GLU A 52 11.594 25.467 -3.134 1.00 0.55 C ATOM 775 C GLU A 52 10.096 25.382 -2.843 1.00 0.50 C ATOM 776 O GLU A 52 9.570 26.129 -2.016 1.00 0.55 O ATOM 777 CB GLU A 52 12.404 25.063 -1.900 1.00 0.63 C ATOM 778 CG GLU A 52 13.906 25.091 -2.143 1.00 1.15 C ATOM 779 CD GLU A 52 14.715 25.172 -0.863 1.00 1.94 C ATOM 780 OE1 GLU A 52 14.939 24.111 -0.234 1.00 2.44 O ATOM 781 OE2 GLU A 52 15.119 26.286 -0.473 1.00 2.51 O ATOM 0 H GLU A 52 12.602 27.276 -2.880 1.00 0.57 H new ATOM 0 HA GLU A 52 11.814 24.781 -3.952 1.00 0.55 H new ATOM 0 HB2 GLU A 52 12.162 25.735 -1.077 1.00 0.63 H new ATOM 0 HB3 GLU A 52 12.110 24.060 -1.591 1.00 0.63 H new ATOM 0 HG2 GLU A 52 14.196 24.195 -2.693 1.00 1.15 H new ATOM 0 HG3 GLU A 52 14.150 25.945 -2.774 1.00 1.15 H new ATOM 788 N VAL A 53 9.411 24.488 -3.548 1.00 0.43 N ATOM 789 CA VAL A 53 7.979 24.277 -3.365 1.00 0.40 C ATOM 790 C VAL A 53 7.652 22.787 -3.476 1.00 0.41 C ATOM 791 O VAL A 53 8.285 22.068 -4.256 1.00 0.44 O ATOM 792 CB VAL A 53 7.139 25.065 -4.409 1.00 0.37 C ATOM 793 CG1 VAL A 53 7.304 26.573 -4.237 1.00 0.41 C ATOM 794 CG2 VAL A 53 7.505 24.651 -5.832 1.00 0.37 C ATOM 0 H VAL A 53 9.831 23.891 -4.260 1.00 0.43 H new ATOM 0 HA VAL A 53 7.720 24.645 -2.372 1.00 0.40 H new ATOM 0 HB VAL A 53 6.092 24.818 -4.235 1.00 0.37 H new ATOM 0 HG11 VAL A 53 6.703 27.092 -4.983 1.00 0.41 H new ATOM 0 HG12 VAL A 53 6.975 26.864 -3.239 1.00 0.41 H new ATOM 0 HG13 VAL A 53 8.353 26.841 -4.365 1.00 0.41 H new ATOM 0 HG21 VAL A 53 6.903 25.218 -6.542 1.00 0.37 H new ATOM 0 HG22 VAL A 53 8.561 24.853 -6.010 1.00 0.37 H new ATOM 0 HG23 VAL A 53 7.313 23.586 -5.962 1.00 0.37 H new ATOM 804 N GLU A 54 6.688 22.314 -2.697 1.00 0.47 N ATOM 805 CA GLU A 54 6.273 20.921 -2.788 1.00 0.54 C ATOM 806 C GLU A 54 4.827 20.831 -3.252 1.00 0.52 C ATOM 807 O GLU A 54 4.016 21.716 -2.971 1.00 0.54 O ATOM 808 CB GLU A 54 6.489 20.169 -1.466 1.00 0.72 C ATOM 809 CG GLU A 54 5.603 20.609 -0.311 1.00 0.81 C ATOM 810 CD GLU A 54 5.814 19.746 0.923 1.00 1.05 C ATOM 811 OE1 GLU A 54 5.401 20.165 2.031 1.00 1.49 O ATOM 812 OE2 GLU A 54 6.390 18.646 0.803 1.00 1.30 O ATOM 0 H GLU A 54 6.184 22.867 -2.003 1.00 0.47 H new ATOM 0 HA GLU A 54 6.903 20.431 -3.530 1.00 0.54 H new ATOM 0 HB2 GLU A 54 6.326 19.106 -1.642 1.00 0.72 H new ATOM 0 HB3 GLU A 54 7.531 20.286 -1.167 1.00 0.72 H new ATOM 0 HG2 GLU A 54 5.814 21.650 -0.067 1.00 0.81 H new ATOM 0 HG3 GLU A 54 4.558 20.559 -0.615 1.00 0.81 H new ATOM 819 N TYR A 55 4.513 19.770 -3.981 1.00 0.54 N ATOM 820 CA TYR A 55 3.216 19.664 -4.639 1.00 0.58 C ATOM 821 C TYR A 55 2.904 18.231 -5.060 1.00 0.64 C ATOM 822 O TYR A 55 3.716 17.326 -4.880 1.00 0.66 O ATOM 823 CB TYR A 55 3.179 20.599 -5.858 1.00 0.55 C ATOM 824 CG TYR A 55 4.199 20.290 -6.944 1.00 0.52 C ATOM 825 CD1 TYR A 55 5.564 20.261 -6.674 1.00 0.54 C ATOM 826 CD2 TYR A 55 3.792 20.050 -8.247 1.00 0.63 C ATOM 827 CE1 TYR A 55 6.486 19.995 -7.666 1.00 0.56 C ATOM 828 CE2 TYR A 55 4.710 19.783 -9.247 1.00 0.65 C ATOM 829 CZ TYR A 55 6.054 19.757 -8.951 1.00 0.57 C ATOM 830 OH TYR A 55 6.968 19.491 -9.942 1.00 0.63 O ATOM 0 H TYR A 55 5.133 18.974 -4.132 1.00 0.54 H new ATOM 0 HA TYR A 55 2.450 19.963 -3.923 1.00 0.58 H new ATOM 0 HB2 TYR A 55 2.182 20.558 -6.297 1.00 0.55 H new ATOM 0 HB3 TYR A 55 3.335 21.622 -5.516 1.00 0.55 H new ATOM 0 HD1 TYR A 55 5.909 20.450 -5.668 1.00 0.54 H new ATOM 0 HD2 TYR A 55 2.739 20.072 -8.486 1.00 0.63 H new ATOM 0 HE1 TYR A 55 7.541 19.974 -7.435 1.00 0.56 H new ATOM 0 HE2 TYR A 55 4.373 19.596 -10.256 1.00 0.65 H new ATOM 0 HH TYR A 55 7.247 18.553 -9.887 1.00 0.63 H new ATOM 840 N THR A 56 1.719 18.028 -5.619 1.00 0.72 N ATOM 841 CA THR A 56 1.312 16.711 -6.081 1.00 0.82 C ATOM 842 C THR A 56 0.882 16.753 -7.546 1.00 0.85 C ATOM 843 O THR A 56 0.675 17.830 -8.113 1.00 0.85 O ATOM 844 CB THR A 56 0.165 16.142 -5.221 1.00 0.88 C ATOM 845 OG1 THR A 56 -0.836 17.143 -5.004 1.00 0.84 O ATOM 846 CG2 THR A 56 0.682 15.641 -3.880 1.00 0.94 C ATOM 0 H THR A 56 1.023 18.760 -5.763 1.00 0.72 H new ATOM 0 HA THR A 56 2.177 16.055 -5.984 1.00 0.82 H new ATOM 0 HB THR A 56 -0.272 15.302 -5.761 1.00 0.88 H new ATOM 0 HG1 THR A 56 -1.559 16.769 -4.458 1.00 0.84 H new ATOM 0 HG21 THR A 56 -0.148 15.246 -3.295 1.00 0.94 H new ATOM 0 HG22 THR A 56 1.417 14.854 -4.045 1.00 0.94 H new ATOM 0 HG23 THR A 56 1.147 16.465 -3.339 1.00 0.94 H new ATOM 854 N LEU A 57 0.754 15.581 -8.158 1.00 0.96 N ATOM 855 CA LEU A 57 0.380 15.493 -9.561 1.00 1.03 C ATOM 856 C LEU A 57 -1.115 15.241 -9.718 1.00 1.12 C ATOM 857 O LEU A 57 -1.691 14.414 -9.015 1.00 1.19 O ATOM 858 CB LEU A 57 1.170 14.385 -10.266 1.00 1.09 C ATOM 859 CG LEU A 57 2.670 14.646 -10.420 1.00 1.04 C ATOM 860 CD1 LEU A 57 3.350 13.483 -11.132 1.00 1.13 C ATOM 861 CD2 LEU A 57 2.904 15.951 -11.171 1.00 1.03 C ATOM 0 H LEU A 57 0.904 14.680 -7.703 1.00 0.96 H new ATOM 0 HA LEU A 57 0.621 16.450 -10.025 1.00 1.03 H new ATOM 0 HB2 LEU A 57 1.035 13.456 -9.711 1.00 1.09 H new ATOM 0 HB3 LEU A 57 0.742 14.230 -11.256 1.00 1.09 H new ATOM 0 HG LEU A 57 3.110 14.735 -9.427 1.00 1.04 H new ATOM 0 HD11 LEU A 57 4.416 13.690 -11.231 1.00 1.13 H new ATOM 0 HD12 LEU A 57 3.210 12.570 -10.553 1.00 1.13 H new ATOM 0 HD13 LEU A 57 2.912 13.356 -12.122 1.00 1.13 H new ATOM 0 HD21 LEU A 57 3.975 16.125 -11.274 1.00 1.03 H new ATOM 0 HD22 LEU A 57 2.450 15.888 -12.160 1.00 1.03 H new ATOM 0 HD23 LEU A 57 2.454 16.775 -10.617 1.00 1.03 H new ATOM 873 N ALA A 58 -1.724 15.936 -10.669 1.00 1.17 N ATOM 874 CA ALA A 58 -3.152 15.790 -10.939 1.00 1.30 C ATOM 875 C ALA A 58 -3.414 14.628 -11.897 1.00 1.40 C ATOM 876 O ALA A 58 -4.340 14.667 -12.708 1.00 2.04 O ATOM 877 CB ALA A 58 -3.705 17.081 -11.520 1.00 1.33 C ATOM 0 H ALA A 58 -1.251 16.610 -11.270 1.00 1.17 H new ATOM 0 HA ALA A 58 -3.657 15.574 -9.998 1.00 1.30 H new ATOM 0 HB1 ALA A 58 -4.770 16.964 -11.718 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -3.556 17.893 -10.809 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -3.186 17.313 -12.450 1.00 1.33 H new ATOM 1026 N LEU A 70 0.616 16.514 -17.599 1.00 1.49 N ATOM 1027 CA LEU A 70 -0.608 16.932 -16.935 1.00 1.50 C ATOM 1028 C LEU A 70 -0.336 18.100 -15.995 1.00 1.25 C ATOM 1029 O LEU A 70 0.787 18.267 -15.518 1.00 1.15 O ATOM 1030 CB LEU A 70 -1.215 15.756 -16.155 1.00 1.71 C ATOM 1031 CG LEU A 70 -1.596 14.530 -16.992 1.00 1.88 C ATOM 1032 CD1 LEU A 70 -2.190 13.448 -16.108 1.00 2.30 C ATOM 1033 CD2 LEU A 70 -2.570 14.907 -18.096 1.00 2.29 C ATOM 0 HA LEU A 70 -1.319 17.258 -17.694 1.00 1.50 H new ATOM 0 HB2 LEU A 70 -0.503 15.444 -15.391 1.00 1.71 H new ATOM 0 HB3 LEU A 70 -2.106 16.109 -15.635 1.00 1.71 H new ATOM 0 HG LEU A 70 -0.690 14.142 -17.457 1.00 1.88 H new ATOM 0 HD11 LEU A 70 -2.455 12.585 -16.718 1.00 2.30 H new ATOM 0 HD12 LEU A 70 -1.459 13.150 -15.356 1.00 2.30 H new ATOM 0 HD13 LEU A 70 -3.083 13.831 -15.614 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -2.825 14.020 -18.675 1.00 2.29 H new ATOM 0 HD22 LEU A 70 -3.475 15.325 -17.656 1.00 2.29 H new ATOM 0 HD23 LEU A 70 -2.110 15.648 -18.750 1.00 2.29 H new ATOM 1045 N PRO A 71 -1.360 18.932 -15.741 1.00 1.22 N ATOM 1046 CA PRO A 71 -1.266 20.044 -14.792 1.00 1.05 C ATOM 1047 C PRO A 71 -0.977 19.559 -13.373 1.00 0.97 C ATOM 1048 O PRO A 71 -1.264 18.413 -13.020 1.00 1.14 O ATOM 1049 CB PRO A 71 -2.652 20.701 -14.848 1.00 1.18 C ATOM 1050 CG PRO A 71 -3.549 19.670 -15.440 1.00 1.38 C ATOM 1051 CD PRO A 71 -2.691 18.858 -16.364 1.00 1.43 C ATOM 0 HA PRO A 71 -0.452 20.722 -15.048 1.00 1.05 H new ATOM 0 HB2 PRO A 71 -2.990 20.993 -13.854 1.00 1.18 H new ATOM 0 HB3 PRO A 71 -2.635 21.605 -15.457 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -3.989 19.043 -14.664 1.00 1.38 H new ATOM 0 HG3 PRO A 71 -4.374 20.134 -15.980 1.00 1.38 H new ATOM 0 HD2 PRO A 71 -3.043 17.829 -16.440 1.00 1.43 H new ATOM 0 HD3 PRO A 71 -2.686 19.269 -17.374 1.00 1.43 H new ATOM 1059 N ALA A 72 -0.398 20.431 -12.571 1.00 0.80 N ATOM 1060 CA ALA A 72 -0.128 20.130 -11.179 1.00 0.74 C ATOM 1061 C ALA A 72 -1.223 20.709 -10.292 1.00 0.72 C ATOM 1062 O ALA A 72 -2.063 21.477 -10.763 1.00 0.82 O ATOM 1063 CB ALA A 72 1.229 20.696 -10.788 1.00 0.70 C ATOM 0 H ALA A 72 -0.103 21.363 -12.864 1.00 0.80 H new ATOM 0 HA ALA A 72 -0.113 19.049 -11.043 1.00 0.74 H new ATOM 0 HB1 ALA A 72 1.430 20.469 -9.741 1.00 0.70 H new ATOM 0 HB2 ALA A 72 2.003 20.249 -11.412 1.00 0.70 H new ATOM 0 HB3 ALA A 72 1.227 21.777 -10.931 1.00 0.70 H new ATOM 1069 N GLU A 73 -1.224 20.331 -9.020 1.00 0.74 N ATOM 1070 CA GLU A 73 -2.140 20.919 -8.050 1.00 0.77 C ATOM 1071 C GLU A 73 -1.615 20.727 -6.631 1.00 0.69 C ATOM 1072 O GLU A 73 -0.620 20.030 -6.422 1.00 0.71 O ATOM 1073 CB GLU A 73 -3.553 20.341 -8.185 1.00 0.94 C ATOM 1074 CG GLU A 73 -3.631 18.828 -8.044 1.00 1.28 C ATOM 1075 CD GLU A 73 -5.063 18.324 -8.054 1.00 1.84 C ATOM 1076 OE1 GLU A 73 -5.641 18.145 -6.962 1.00 2.30 O ATOM 1077 OE2 GLU A 73 -5.624 18.120 -9.151 1.00 2.28 O ATOM 0 H GLU A 73 -0.601 19.620 -8.636 1.00 0.74 H new ATOM 0 HA GLU A 73 -2.200 21.987 -8.259 1.00 0.77 H new ATOM 0 HB2 GLU A 73 -4.192 20.797 -7.429 1.00 0.94 H new ATOM 0 HB3 GLU A 73 -3.957 20.624 -9.157 1.00 0.94 H new ATOM 0 HG2 GLU A 73 -3.077 18.360 -8.858 1.00 1.28 H new ATOM 0 HG3 GLU A 73 -3.148 18.526 -7.115 1.00 1.28 H new ATOM 1084 N ASN A 74 -2.288 21.365 -5.669 1.00 0.68 N ATOM 1085 CA ASN A 74 -1.890 21.323 -4.255 1.00 0.69 C ATOM 1086 C ASN A 74 -0.491 21.899 -4.066 1.00 0.59 C ATOM 1087 O ASN A 74 0.206 21.563 -3.110 1.00 0.66 O ATOM 1088 CB ASN A 74 -1.945 19.894 -3.698 1.00 0.81 C ATOM 1089 CG ASN A 74 -3.353 19.335 -3.653 1.00 1.39 C ATOM 1090 OD1 ASN A 74 -3.734 18.609 -4.692 1.00 1.81 O flip ATOM 1091 ND2 ASN A 74 -4.078 19.527 -2.680 1.00 2.01 N flip ATOM 0 H ASN A 74 -3.122 21.924 -5.846 1.00 0.68 H new ATOM 0 HA ASN A 74 -2.602 21.935 -3.701 1.00 0.69 H new ATOM 0 HB2 ASN A 74 -1.321 19.245 -4.312 1.00 0.81 H new ATOM 0 HB3 ASN A 74 -1.523 19.884 -2.693 1.00 0.81 H new ATOM 0 HD21 ASN A 74 -3.745 20.093 -1.900 1.00 2.01 H new ATOM 0 HD22 ASN A 74 -5.013 19.120 -2.652 1.00 2.01 H new ATOM 1098 N VAL A 75 -0.105 22.790 -4.969 1.00 0.66 N ATOM 1099 CA VAL A 75 1.222 23.385 -4.943 1.00 0.58 C ATOM 1100 C VAL A 75 1.368 24.341 -3.764 1.00 0.59 C ATOM 1101 O VAL A 75 0.652 25.341 -3.670 1.00 0.64 O ATOM 1102 CB VAL A 75 1.518 24.140 -6.255 1.00 0.56 C ATOM 1103 CG1 VAL A 75 2.955 24.647 -6.276 1.00 0.72 C ATOM 1104 CG2 VAL A 75 1.247 23.249 -7.460 1.00 0.80 C ATOM 0 H VAL A 75 -0.697 23.117 -5.732 1.00 0.66 H new ATOM 0 HA VAL A 75 1.940 22.572 -4.833 1.00 0.58 H new ATOM 0 HB VAL A 75 0.852 25.002 -6.308 1.00 0.56 H new ATOM 0 HG11 VAL A 75 3.141 25.176 -7.211 1.00 0.72 H new ATOM 0 HG12 VAL A 75 3.114 25.325 -5.437 1.00 0.72 H new ATOM 0 HG13 VAL A 75 3.640 23.803 -6.195 1.00 0.72 H new ATOM 0 HG21 VAL A 75 1.462 23.800 -8.376 1.00 0.80 H new ATOM 0 HG22 VAL A 75 1.884 22.366 -7.410 1.00 0.80 H new ATOM 0 HG23 VAL A 75 0.201 22.943 -7.458 1.00 0.80 H new ATOM 1114 N ARG A 76 2.288 24.018 -2.868 1.00 0.58 N ATOM 1115 CA ARG A 76 2.531 24.823 -1.685 1.00 0.62 C ATOM 1116 C ARG A 76 4.002 25.196 -1.582 1.00 0.55 C ATOM 1117 O ARG A 76 4.865 24.527 -2.150 1.00 0.52 O ATOM 1118 CB ARG A 76 2.103 24.063 -0.429 1.00 0.73 C ATOM 1119 CG ARG A 76 0.596 23.924 -0.290 1.00 1.28 C ATOM 1120 CD ARG A 76 -0.064 25.275 -0.071 1.00 1.58 C ATOM 1121 NE ARG A 76 0.363 25.890 1.184 1.00 2.10 N ATOM 1122 CZ ARG A 76 0.046 27.125 1.560 1.00 2.75 C ATOM 1123 NH1 ARG A 76 -0.632 27.924 0.743 1.00 3.11 N ATOM 1124 NH2 ARG A 76 0.439 27.567 2.748 1.00 3.51 N ATOM 0 H ARG A 76 2.884 23.194 -2.941 1.00 0.58 H new ATOM 0 HA ARG A 76 1.942 25.736 -1.769 1.00 0.62 H new ATOM 0 HB2 ARG A 76 2.552 23.070 -0.444 1.00 0.73 H new ATOM 0 HB3 ARG A 76 2.495 24.577 0.449 1.00 0.73 H new ATOM 0 HG2 ARG A 76 0.187 23.458 -1.187 1.00 1.28 H new ATOM 0 HG3 ARG A 76 0.365 23.264 0.546 1.00 1.28 H new ATOM 0 HD2 ARG A 76 0.179 25.937 -0.902 1.00 1.58 H new ATOM 0 HD3 ARG A 76 -1.147 25.154 -0.067 1.00 1.58 H new ATOM 0 HE ARG A 76 0.943 25.335 1.813 1.00 2.10 H new ATOM 0 HH11 ARG A 76 -0.913 27.591 -0.179 1.00 3.11 H new ATOM 0 HH12 ARG A 76 -0.872 28.870 1.038 1.00 3.11 H new ATOM 0 HH21 ARG A 76 0.980 26.960 3.364 1.00 3.51 H new ATOM 0 HH22 ARG A 76 0.200 28.513 3.045 1.00 3.51 H new ATOM 1138 N MET A 77 4.282 26.273 -0.861 1.00 0.63 N ATOM 1139 CA MET A 77 5.655 26.704 -0.645 1.00 0.60 C ATOM 1140 C MET A 77 6.361 25.768 0.314 1.00 0.70 C ATOM 1141 O MET A 77 5.749 25.217 1.230 1.00 0.91 O ATOM 1142 CB MET A 77 5.716 28.134 -0.103 1.00 0.72 C ATOM 1143 CG MET A 77 5.342 29.205 -1.115 1.00 0.80 C ATOM 1144 SD MET A 77 5.552 30.871 -0.440 1.00 1.12 S ATOM 1145 CE MET A 77 4.928 31.880 -1.781 1.00 0.86 C ATOM 0 H MET A 77 3.578 26.863 -0.417 1.00 0.63 H new ATOM 0 HA MET A 77 6.159 26.681 -1.611 1.00 0.60 H new ATOM 0 HB2 MET A 77 5.049 28.213 0.755 1.00 0.72 H new ATOM 0 HB3 MET A 77 6.725 28.330 0.259 1.00 0.72 H new ATOM 0 HG2 MET A 77 5.959 29.094 -2.007 1.00 0.80 H new ATOM 0 HG3 MET A 77 4.306 29.066 -1.425 1.00 0.80 H new ATOM 0 HE1 MET A 77 5.466 32.828 -1.804 1.00 0.86 H new ATOM 0 HE2 MET A 77 5.072 31.358 -2.727 1.00 0.86 H new ATOM 0 HE3 MET A 77 3.865 32.070 -1.630 1.00 0.86 H new ATOM 1155 N LEU A 78 7.644 25.594 0.094 1.00 0.65 N ATOM 1156 CA LEU A 78 8.453 24.737 0.928 1.00 0.83 C ATOM 1157 C LEU A 78 9.565 25.567 1.555 1.00 0.83 C ATOM 1158 O LEU A 78 10.209 26.356 0.862 1.00 0.93 O ATOM 1159 CB LEU A 78 9.034 23.605 0.078 1.00 0.99 C ATOM 1160 CG LEU A 78 9.693 22.464 0.844 1.00 1.05 C ATOM 1161 CD1 LEU A 78 8.671 21.751 1.718 1.00 1.49 C ATOM 1162 CD2 LEU A 78 10.335 21.491 -0.130 1.00 1.67 C ATOM 0 H LEU A 78 8.155 26.042 -0.667 1.00 0.65 H new ATOM 0 HA LEU A 78 7.848 24.298 1.722 1.00 0.83 H new ATOM 0 HB2 LEU A 78 8.234 23.190 -0.535 1.00 0.99 H new ATOM 0 HB3 LEU A 78 9.770 24.031 -0.604 1.00 0.99 H new ATOM 0 HG LEU A 78 10.468 22.874 1.492 1.00 1.05 H new ATOM 0 HD11 LEU A 78 9.158 20.939 2.258 1.00 1.49 H new ATOM 0 HD12 LEU A 78 8.246 22.458 2.431 1.00 1.49 H new ATOM 0 HD13 LEU A 78 7.877 21.345 1.092 1.00 1.49 H new ATOM 0 HD21 LEU A 78 10.804 20.678 0.424 1.00 1.67 H new ATOM 0 HD22 LEU A 78 9.572 21.085 -0.794 1.00 1.67 H new ATOM 0 HD23 LEU A 78 11.090 22.011 -0.720 1.00 1.67 H new ATOM 1174 N PRO A 79 9.768 25.457 2.877 1.00 1.15 N ATOM 1175 CA PRO A 79 10.836 26.185 3.560 1.00 1.27 C ATOM 1176 C PRO A 79 12.198 25.904 2.942 1.00 1.13 C ATOM 1177 O PRO A 79 12.452 24.800 2.456 1.00 1.59 O ATOM 1178 CB PRO A 79 10.779 25.660 4.997 1.00 1.97 C ATOM 1179 CG PRO A 79 9.389 25.153 5.160 1.00 2.15 C ATOM 1180 CD PRO A 79 8.974 24.639 3.810 1.00 1.65 C ATOM 0 HA PRO A 79 10.702 27.265 3.491 1.00 1.27 H new ATOM 0 HB2 PRO A 79 11.511 24.868 5.159 1.00 1.97 H new ATOM 0 HB3 PRO A 79 10.999 26.449 5.716 1.00 1.97 H new ATOM 0 HG2 PRO A 79 9.348 24.362 5.908 1.00 2.15 H new ATOM 0 HG3 PRO A 79 8.722 25.946 5.498 1.00 2.15 H new ATOM 0 HD2 PRO A 79 9.192 23.577 3.700 1.00 1.65 H new ATOM 0 HD3 PRO A 79 7.904 24.764 3.644 1.00 1.65 H new ATOM 1188 N LYS A 80 13.058 26.912 2.950 1.00 1.09 N ATOM 1189 CA LYS A 80 14.402 26.778 2.411 1.00 1.37 C ATOM 1190 C LYS A 80 15.169 25.680 3.145 1.00 1.18 C ATOM 1191 O LYS A 80 14.763 25.254 4.231 1.00 1.19 O ATOM 1192 CB LYS A 80 15.149 28.110 2.524 1.00 1.96 C ATOM 1193 CG LYS A 80 15.296 28.599 3.958 1.00 2.65 C ATOM 1194 CD LYS A 80 16.060 29.910 4.036 1.00 3.44 C ATOM 1195 CE LYS A 80 15.303 31.041 3.362 1.00 4.04 C ATOM 1196 NZ LYS A 80 15.982 32.349 3.547 1.00 4.61 N ATOM 0 H LYS A 80 12.847 27.836 3.326 1.00 1.09 H new ATOM 0 HA LYS A 80 14.327 26.502 1.359 1.00 1.37 H new ATOM 0 HB2 LYS A 80 16.139 28.002 2.081 1.00 1.96 H new ATOM 0 HB3 LYS A 80 14.620 28.865 1.942 1.00 1.96 H new ATOM 0 HG2 LYS A 80 14.308 28.728 4.400 1.00 2.65 H new ATOM 0 HG3 LYS A 80 15.813 27.842 4.548 1.00 2.65 H new ATOM 0 HD2 LYS A 80 16.241 30.164 5.080 1.00 3.44 H new ATOM 0 HD3 LYS A 80 17.035 29.792 3.563 1.00 3.44 H new ATOM 0 HE2 LYS A 80 15.207 30.829 2.297 1.00 4.04 H new ATOM 0 HE3 LYS A 80 14.293 31.095 3.769 1.00 4.04 H new ATOM 0 HZ1 LYS A 80 15.434 33.095 3.072 1.00 4.61 H new ATOM 0 HZ2 LYS A 80 16.052 32.563 4.562 1.00 4.61 H new ATOM 0 HZ3 LYS A 80 16.936 32.306 3.136 1.00 4.61 H new ATOM 1210 N ASN A 81 16.261 25.217 2.532 1.00 1.26 N ATOM 1211 CA ASN A 81 17.139 24.203 3.127 1.00 1.35 C ATOM 1212 C ASN A 81 16.521 22.802 3.004 1.00 1.23 C ATOM 1213 O ASN A 81 17.092 21.804 3.455 1.00 1.43 O ATOM 1214 CB ASN A 81 17.458 24.569 4.595 1.00 1.57 C ATOM 1215 CG ASN A 81 18.286 23.532 5.333 1.00 2.26 C ATOM 1216 OD1 ASN A 81 19.516 23.531 5.270 1.00 2.84 O ATOM 1217 ND2 ASN A 81 17.613 22.664 6.074 1.00 2.81 N ATOM 0 H ASN A 81 16.562 25.533 1.610 1.00 1.26 H new ATOM 0 HA ASN A 81 18.080 24.184 2.577 1.00 1.35 H new ATOM 0 HB2 ASN A 81 17.990 25.520 4.612 1.00 1.57 H new ATOM 0 HB3 ASN A 81 16.521 24.717 5.132 1.00 1.57 H new ATOM 0 HD21 ASN A 81 18.114 21.962 6.619 1.00 2.81 H new ATOM 0 HD22 ASN A 81 16.594 22.698 6.100 1.00 2.81 H new ATOM 1224 N SER A 82 15.369 22.718 2.352 1.00 1.01 N ATOM 1225 CA SER A 82 14.724 21.435 2.125 1.00 1.03 C ATOM 1226 C SER A 82 15.366 20.743 0.928 1.00 0.96 C ATOM 1227 O SER A 82 15.368 19.513 0.824 1.00 1.12 O ATOM 1228 CB SER A 82 13.223 21.618 1.903 1.00 1.08 C ATOM 1229 OG SER A 82 12.613 22.238 3.025 1.00 1.70 O ATOM 0 H SER A 82 14.865 23.520 1.973 1.00 1.01 H new ATOM 0 HA SER A 82 14.858 20.810 3.008 1.00 1.03 H new ATOM 0 HB2 SER A 82 13.055 22.224 1.013 1.00 1.08 H new ATOM 0 HB3 SER A 82 12.758 20.649 1.721 1.00 1.08 H new ATOM 0 HG SER A 82 12.300 23.132 2.774 1.00 1.70 H new ATOM 1235 N ILE A 83 15.899 21.548 0.019 1.00 0.83 N ATOM 1236 CA ILE A 83 16.705 21.046 -1.081 1.00 0.77 C ATOM 1237 C ILE A 83 18.172 21.033 -0.649 1.00 0.76 C ATOM 1238 O ILE A 83 18.748 22.083 -0.341 1.00 0.78 O ATOM 1239 CB ILE A 83 16.518 21.898 -2.372 1.00 0.76 C ATOM 1240 CG1 ILE A 83 15.294 21.454 -3.172 1.00 0.92 C ATOM 1241 CG2 ILE A 83 17.731 21.803 -3.267 1.00 0.79 C ATOM 1242 CD1 ILE A 83 14.021 21.396 -2.381 1.00 0.69 C ATOM 0 H ILE A 83 15.785 22.562 0.024 1.00 0.83 H new ATOM 0 HA ILE A 83 16.379 20.034 -1.322 1.00 0.77 H new ATOM 0 HB ILE A 83 16.378 22.928 -2.043 1.00 0.76 H new ATOM 0 HG12 ILE A 83 15.156 22.138 -4.009 1.00 0.92 H new ATOM 0 HG13 ILE A 83 15.490 20.468 -3.594 1.00 0.92 H new ATOM 0 HG21 ILE A 83 17.572 22.407 -4.160 1.00 0.79 H new ATOM 0 HG22 ILE A 83 18.607 22.169 -2.732 1.00 0.79 H new ATOM 0 HG23 ILE A 83 17.890 20.764 -3.556 1.00 0.79 H new ATOM 0 HD11 ILE A 83 13.205 21.072 -3.027 1.00 0.69 H new ATOM 0 HD12 ILE A 83 14.135 20.689 -1.559 1.00 0.69 H new ATOM 0 HD13 ILE A 83 13.796 22.385 -1.981 1.00 0.69 H new ATOM 1254 N PRO A 84 18.784 19.842 -0.586 1.00 0.82 N ATOM 1255 CA PRO A 84 20.162 19.688 -0.114 1.00 0.89 C ATOM 1256 C PRO A 84 21.184 20.140 -1.150 1.00 0.83 C ATOM 1257 O PRO A 84 20.910 20.147 -2.353 1.00 0.82 O ATOM 1258 CB PRO A 84 20.275 18.184 0.130 1.00 1.03 C ATOM 1259 CG PRO A 84 19.345 17.587 -0.864 1.00 1.03 C ATOM 1260 CD PRO A 84 18.190 18.548 -0.975 1.00 0.91 C ATOM 0 HA PRO A 84 20.367 20.297 0.766 1.00 0.89 H new ATOM 0 HB2 PRO A 84 21.296 17.832 -0.017 1.00 1.03 H new ATOM 0 HB3 PRO A 84 19.991 17.923 1.149 1.00 1.03 H new ATOM 0 HG2 PRO A 84 19.836 17.453 -1.828 1.00 1.03 H new ATOM 0 HG3 PRO A 84 19.005 16.603 -0.540 1.00 1.03 H new ATOM 0 HD2 PRO A 84 17.788 18.578 -1.988 1.00 0.91 H new ATOM 0 HD3 PRO A 84 17.369 18.268 -0.315 1.00 0.91 H new ATOM 1268 N GLN A 85 22.358 20.521 -0.682 1.00 0.88 N ATOM 1269 CA GLN A 85 23.423 20.932 -1.571 1.00 0.88 C ATOM 1270 C GLN A 85 24.573 19.932 -1.486 1.00 0.77 C ATOM 1271 O GLN A 85 24.715 19.239 -0.477 1.00 0.74 O ATOM 1272 CB GLN A 85 23.909 22.353 -1.233 1.00 1.06 C ATOM 1273 CG GLN A 85 24.766 22.457 0.026 1.00 1.73 C ATOM 1274 CD GLN A 85 24.000 22.208 1.314 1.00 2.21 C ATOM 1275 OE1 GLN A 85 22.746 22.628 1.356 1.00 2.76 O flip ATOM 1276 NE2 GLN A 85 24.547 21.672 2.278 1.00 2.65 N flip ATOM 0 H GLN A 85 22.596 20.554 0.309 1.00 0.88 H new ATOM 0 HA GLN A 85 23.041 20.950 -2.592 1.00 0.88 H new ATOM 0 HB2 GLN A 85 24.482 22.736 -2.078 1.00 1.06 H new ATOM 0 HB3 GLN A 85 23.040 23.001 -1.118 1.00 1.06 H new ATOM 0 HG2 GLN A 85 25.584 21.740 -0.043 1.00 1.73 H new ATOM 0 HG3 GLN A 85 25.214 23.450 0.068 1.00 1.73 H new ATOM 0 HE21 GLN A 85 25.516 21.361 2.207 1.00 2.65 H new ATOM 0 HE22 GLN A 85 24.031 21.539 3.148 1.00 2.65 H new ATOM 1285 N PRO A 86 25.394 19.827 -2.545 1.00 0.81 N ATOM 1286 CA PRO A 86 26.556 18.933 -2.549 1.00 0.79 C ATOM 1287 C PRO A 86 27.601 19.380 -1.528 1.00 0.77 C ATOM 1288 O PRO A 86 27.806 20.582 -1.330 1.00 0.85 O ATOM 1289 CB PRO A 86 27.105 19.052 -3.978 1.00 0.88 C ATOM 1290 CG PRO A 86 26.032 19.719 -4.773 1.00 1.08 C ATOM 1291 CD PRO A 86 25.268 20.571 -3.806 1.00 0.95 C ATOM 0 HA PRO A 86 26.296 17.910 -2.278 1.00 0.79 H new ATOM 0 HB2 PRO A 86 28.025 19.636 -3.996 1.00 0.88 H new ATOM 0 HB3 PRO A 86 27.343 18.071 -4.388 1.00 0.88 H new ATOM 0 HG2 PRO A 86 26.459 20.324 -5.573 1.00 1.08 H new ATOM 0 HG3 PRO A 86 25.380 18.983 -5.243 1.00 1.08 H new ATOM 0 HD2 PRO A 86 25.691 21.573 -3.728 1.00 0.95 H new ATOM 0 HD3 PRO A 86 24.226 20.687 -4.105 1.00 0.95 H new ATOM 1299 N ALA A 87 28.257 18.424 -0.879 1.00 0.84 N ATOM 1300 CA ALA A 87 29.189 18.742 0.195 1.00 0.93 C ATOM 1301 C ALA A 87 30.541 19.172 -0.358 1.00 0.90 C ATOM 1302 O ALA A 87 31.401 18.344 -0.656 1.00 0.98 O ATOM 1303 CB ALA A 87 29.342 17.548 1.123 1.00 1.10 C ATOM 0 H ALA A 87 28.161 17.428 -1.077 1.00 0.84 H new ATOM 0 HA ALA A 87 28.784 19.579 0.763 1.00 0.93 H new ATOM 0 HB1 ALA A 87 30.041 17.796 1.922 1.00 1.10 H new ATOM 0 HB2 ALA A 87 28.373 17.295 1.553 1.00 1.10 H new ATOM 0 HB3 ALA A 87 29.722 16.696 0.560 1.00 1.10 H new ATOM 1309 N VAL A 88 30.714 20.479 -0.494 1.00 0.87 N ATOM 1310 CA VAL A 88 31.947 21.053 -1.015 1.00 0.88 C ATOM 1311 C VAL A 88 32.280 22.320 -0.236 1.00 1.02 C ATOM 1312 O VAL A 88 31.422 23.186 -0.063 1.00 1.23 O ATOM 1313 CB VAL A 88 31.839 21.400 -2.522 1.00 0.81 C ATOM 1314 CG1 VAL A 88 33.191 21.822 -3.072 1.00 0.87 C ATOM 1315 CG2 VAL A 88 31.286 20.231 -3.321 1.00 0.94 C ATOM 0 H VAL A 88 30.006 21.170 -0.247 1.00 0.87 H new ATOM 0 HA VAL A 88 32.734 20.308 -0.899 1.00 0.88 H new ATOM 0 HB VAL A 88 31.144 22.234 -2.621 1.00 0.81 H new ATOM 0 HG11 VAL A 88 33.094 22.061 -4.131 1.00 0.87 H new ATOM 0 HG12 VAL A 88 33.545 22.700 -2.532 1.00 0.87 H new ATOM 0 HG13 VAL A 88 33.905 21.007 -2.948 1.00 0.87 H new ATOM 0 HG21 VAL A 88 31.223 20.507 -4.374 1.00 0.94 H new ATOM 0 HG22 VAL A 88 31.946 19.370 -3.211 1.00 0.94 H new ATOM 0 HG23 VAL A 88 30.292 19.976 -2.953 1.00 0.94 H new ATOM 1325 N LEU A 89 33.516 22.432 0.229 1.00 1.09 N ATOM 1326 CA LEU A 89 33.904 23.560 1.066 1.00 1.27 C ATOM 1327 C LEU A 89 34.467 24.716 0.247 1.00 1.15 C ATOM 1328 O LEU A 89 33.914 25.813 0.262 1.00 1.29 O ATOM 1329 CB LEU A 89 34.936 23.123 2.105 1.00 1.54 C ATOM 1330 CG LEU A 89 34.448 22.110 3.135 1.00 2.14 C ATOM 1331 CD1 LEU A 89 35.590 21.718 4.049 1.00 2.87 C ATOM 1332 CD2 LEU A 89 33.296 22.687 3.944 1.00 2.45 C ATOM 0 H LEU A 89 34.262 21.762 0.043 1.00 1.09 H new ATOM 0 HA LEU A 89 33.001 23.910 1.567 1.00 1.27 H new ATOM 0 HB2 LEU A 89 35.793 22.698 1.583 1.00 1.54 H new ATOM 0 HB3 LEU A 89 35.291 24.008 2.633 1.00 1.54 H new ATOM 0 HG LEU A 89 34.089 21.222 2.615 1.00 2.14 H new ATOM 0 HD11 LEU A 89 35.236 20.994 4.783 1.00 2.87 H new ATOM 0 HD12 LEU A 89 36.392 21.274 3.459 1.00 2.87 H new ATOM 0 HD13 LEU A 89 35.965 22.603 4.563 1.00 2.87 H new ATOM 0 HD21 LEU A 89 32.960 21.951 4.674 1.00 2.45 H new ATOM 0 HD22 LEU A 89 33.630 23.586 4.462 1.00 2.45 H new ATOM 0 HD23 LEU A 89 32.472 22.938 3.276 1.00 2.45 H new ATOM 1344 N GLU A 90 35.557 24.473 -0.473 1.00 1.05 N ATOM 1345 CA GLU A 90 36.238 25.546 -1.186 1.00 1.13 C ATOM 1346 C GLU A 90 35.700 25.706 -2.607 1.00 1.04 C ATOM 1347 O GLU A 90 35.305 26.804 -3.004 1.00 1.34 O ATOM 1348 CB GLU A 90 37.757 25.297 -1.193 1.00 1.30 C ATOM 1349 CG GLU A 90 38.175 23.940 -1.756 1.00 1.98 C ATOM 1350 CD GLU A 90 39.665 23.672 -1.628 1.00 2.31 C ATOM 1351 OE1 GLU A 90 40.044 22.602 -1.104 1.00 2.59 O ATOM 1352 OE2 GLU A 90 40.466 24.544 -2.038 1.00 2.84 O ATOM 0 H GLU A 90 35.984 23.553 -0.578 1.00 1.05 H new ATOM 0 HA GLU A 90 36.041 26.481 -0.661 1.00 1.13 H new ATOM 0 HB2 GLU A 90 38.238 26.082 -1.777 1.00 1.30 H new ATOM 0 HB3 GLU A 90 38.131 25.384 -0.173 1.00 1.30 H new ATOM 0 HG2 GLU A 90 37.625 23.154 -1.238 1.00 1.98 H new ATOM 0 HG3 GLU A 90 37.892 23.887 -2.807 1.00 1.98 H new ATOM 1359 N THR A 91 35.673 24.604 -3.345 1.00 0.84 N ATOM 1360 CA THR A 91 35.172 24.572 -4.717 1.00 0.77 C ATOM 1361 C THR A 91 35.604 23.261 -5.362 1.00 0.77 C ATOM 1362 O THR A 91 36.542 22.618 -4.885 1.00 0.95 O ATOM 1363 CB THR A 91 35.698 25.757 -5.570 1.00 0.81 C ATOM 1364 OG1 THR A 91 35.049 25.771 -6.849 1.00 1.42 O ATOM 1365 CG2 THR A 91 37.209 25.682 -5.769 1.00 1.41 C ATOM 0 H THR A 91 36.000 23.699 -3.008 1.00 0.84 H new ATOM 0 HA THR A 91 34.086 24.656 -4.679 1.00 0.77 H new ATOM 0 HB THR A 91 35.471 26.676 -5.029 1.00 0.81 H new ATOM 0 HG1 THR A 91 35.387 26.523 -7.379 1.00 1.42 H new ATOM 0 HG21 THR A 91 37.539 26.529 -6.371 1.00 1.41 H new ATOM 0 HG22 THR A 91 37.706 25.711 -4.799 1.00 1.41 H new ATOM 0 HG23 THR A 91 37.463 24.753 -6.279 1.00 1.41 H new ATOM 1373 N THR A 92 34.923 22.851 -6.416 1.00 0.69 N ATOM 1374 CA THR A 92 35.313 21.650 -7.128 1.00 0.73 C ATOM 1375 C THR A 92 35.978 22.015 -8.447 1.00 0.65 C ATOM 1376 O THR A 92 37.084 21.565 -8.750 1.00 0.69 O ATOM 1377 CB THR A 92 34.109 20.742 -7.410 1.00 0.81 C ATOM 1378 OG1 THR A 92 33.136 20.878 -6.366 1.00 1.30 O ATOM 1379 CG2 THR A 92 34.553 19.287 -7.500 1.00 0.82 C ATOM 0 H THR A 92 34.104 23.327 -6.795 1.00 0.69 H new ATOM 0 HA THR A 92 36.014 21.109 -6.492 1.00 0.73 H new ATOM 0 HB THR A 92 33.666 21.041 -8.360 1.00 0.81 H new ATOM 0 HG1 THR A 92 32.614 20.052 -6.296 1.00 1.30 H new ATOM 0 HG21 THR A 92 33.688 18.654 -7.700 1.00 0.82 H new ATOM 0 HG22 THR A 92 35.278 19.177 -8.307 1.00 0.82 H new ATOM 0 HG23 THR A 92 35.011 18.987 -6.557 1.00 0.82 H new ATOM 1387 N HIS A 93 35.301 22.848 -9.226 1.00 0.59 N ATOM 1388 CA HIS A 93 35.795 23.250 -10.534 1.00 0.54 C ATOM 1389 C HIS A 93 35.457 24.703 -10.800 1.00 0.49 C ATOM 1390 O HIS A 93 34.667 25.317 -10.083 1.00 0.63 O ATOM 1391 CB HIS A 93 35.187 22.395 -11.659 1.00 0.68 C ATOM 1392 CG HIS A 93 35.532 20.939 -11.610 1.00 0.62 C ATOM 1393 ND1 HIS A 93 36.708 20.403 -12.097 1.00 0.98 N ATOM 1394 CD2 HIS A 93 34.814 19.891 -11.135 1.00 0.72 C ATOM 1395 CE1 HIS A 93 36.664 19.078 -11.910 1.00 1.29 C ATOM 1396 NE2 HIS A 93 35.535 18.717 -11.330 1.00 1.10 N ATOM 0 H HIS A 93 34.403 23.260 -8.972 1.00 0.59 H new ATOM 0 HA HIS A 93 36.876 23.107 -10.525 1.00 0.54 H new ATOM 0 HB2 HIS A 93 34.102 22.496 -11.625 1.00 0.68 H new ATOM 0 HB3 HIS A 93 35.515 22.798 -12.617 1.00 0.68 H new ATOM 0 HD2 HIS A 93 33.838 19.957 -10.678 1.00 0.72 H new ATOM 0 HE1 HIS A 93 37.449 18.394 -12.196 1.00 1.29 H new ATOM 0 HE2 HIS A 93 35.249 17.771 -11.077 1.00 1.10 H new ATOM 1404 N ASN A 94 36.060 25.241 -11.837 1.00 0.45 N ATOM 1405 CA ASN A 94 35.708 26.548 -12.341 1.00 0.48 C ATOM 1406 C ASN A 94 35.399 26.397 -13.816 1.00 0.51 C ATOM 1407 O ASN A 94 35.912 25.486 -14.463 1.00 0.78 O ATOM 1408 CB ASN A 94 36.843 27.559 -12.119 1.00 0.57 C ATOM 1409 CG ASN A 94 38.061 27.294 -12.987 1.00 0.67 C ATOM 1410 OD1 ASN A 94 38.927 26.494 -12.634 1.00 1.36 O ATOM 1411 ND2 ASN A 94 38.147 27.983 -14.116 1.00 1.19 N ATOM 0 H ASN A 94 36.810 24.783 -12.355 1.00 0.45 H new ATOM 0 HA ASN A 94 34.840 26.934 -11.806 1.00 0.48 H new ATOM 0 HB2 ASN A 94 36.471 28.563 -12.323 1.00 0.57 H new ATOM 0 HB3 ASN A 94 37.141 27.537 -11.071 1.00 0.57 H new ATOM 0 HD21 ASN A 94 38.953 27.860 -14.729 1.00 1.19 H new ATOM 0 HD22 ASN A 94 37.407 28.637 -14.372 1.00 1.19 H new ATOM 1418 N GLY A 95 34.546 27.244 -14.346 1.00 0.45 N ATOM 1419 CA GLY A 95 34.182 27.106 -15.734 1.00 0.49 C ATOM 1420 C GLY A 95 33.673 28.389 -16.325 1.00 0.47 C ATOM 1421 O GLY A 95 33.711 29.443 -15.683 1.00 0.53 O ATOM 0 H GLY A 95 34.102 28.017 -13.850 1.00 0.45 H new ATOM 0 HA2 GLY A 95 35.049 26.767 -16.302 1.00 0.49 H new ATOM 0 HA3 GLY A 95 33.416 26.336 -15.831 1.00 0.49 H new ATOM 1425 N VAL A 96 33.194 28.304 -17.549 1.00 0.47 N ATOM 1426 CA VAL A 96 32.662 29.453 -18.241 1.00 0.48 C ATOM 1427 C VAL A 96 31.365 29.065 -18.950 1.00 0.45 C ATOM 1428 O VAL A 96 31.228 27.933 -19.424 1.00 0.43 O ATOM 1429 CB VAL A 96 33.700 30.020 -19.245 1.00 0.55 C ATOM 1430 CG1 VAL A 96 33.983 29.040 -20.370 1.00 1.21 C ATOM 1431 CG2 VAL A 96 33.249 31.349 -19.803 1.00 1.37 C ATOM 0 H VAL A 96 33.164 27.439 -18.088 1.00 0.47 H new ATOM 0 HA VAL A 96 32.445 30.238 -17.517 1.00 0.48 H new ATOM 0 HB VAL A 96 34.628 30.175 -18.695 1.00 0.55 H new ATOM 0 HG11 VAL A 96 34.714 29.472 -21.053 1.00 1.21 H new ATOM 0 HG12 VAL A 96 34.378 28.113 -19.954 1.00 1.21 H new ATOM 0 HG13 VAL A 96 33.060 28.831 -20.911 1.00 1.21 H new ATOM 0 HG21 VAL A 96 33.996 31.722 -20.503 1.00 1.37 H new ATOM 0 HG22 VAL A 96 32.298 31.223 -20.320 1.00 1.37 H new ATOM 0 HG23 VAL A 96 33.127 32.063 -18.989 1.00 1.37 H new ATOM 1441 N VAL A 97 30.401 29.978 -18.972 1.00 0.50 N ATOM 1442 CA VAL A 97 29.112 29.712 -19.599 1.00 0.53 C ATOM 1443 C VAL A 97 29.293 29.420 -21.087 1.00 0.60 C ATOM 1444 O VAL A 97 29.854 30.235 -21.823 1.00 0.67 O ATOM 1445 CB VAL A 97 28.142 30.896 -19.420 1.00 0.60 C ATOM 1446 CG1 VAL A 97 26.826 30.643 -20.144 1.00 0.69 C ATOM 1447 CG2 VAL A 97 27.906 31.177 -17.941 1.00 0.57 C ATOM 0 H VAL A 97 30.487 30.908 -18.563 1.00 0.50 H new ATOM 0 HA VAL A 97 28.683 28.839 -19.107 1.00 0.53 H new ATOM 0 HB VAL A 97 28.600 31.779 -19.866 1.00 0.60 H new ATOM 0 HG11 VAL A 97 26.162 31.495 -20.000 1.00 0.69 H new ATOM 0 HG12 VAL A 97 27.017 30.507 -21.209 1.00 0.69 H new ATOM 0 HG13 VAL A 97 26.357 29.745 -19.742 1.00 0.69 H new ATOM 0 HG21 VAL A 97 27.219 32.016 -17.835 1.00 0.57 H new ATOM 0 HG22 VAL A 97 27.477 30.294 -17.467 1.00 0.57 H new ATOM 0 HG23 VAL A 97 28.854 31.422 -17.461 1.00 0.57 H new ATOM 1457 N ALA A 98 28.811 28.255 -21.515 1.00 0.61 N ATOM 1458 CA ALA A 98 29.036 27.789 -22.875 1.00 0.70 C ATOM 1459 C ALA A 98 27.987 28.321 -23.842 1.00 0.83 C ATOM 1460 O ALA A 98 28.307 28.650 -24.983 1.00 0.89 O ATOM 1461 CB ALA A 98 29.066 26.268 -22.913 1.00 0.76 C ATOM 0 H ALA A 98 28.262 27.619 -20.937 1.00 0.61 H new ATOM 0 HA ALA A 98 30.003 28.176 -23.197 1.00 0.70 H new ATOM 0 HB1 ALA A 98 29.235 25.933 -23.936 1.00 0.76 H new ATOM 0 HB2 ALA A 98 29.871 25.904 -22.274 1.00 0.76 H new ATOM 0 HB3 ALA A 98 28.114 25.876 -22.556 1.00 0.76 H new ATOM 1467 N ARG A 99 26.737 28.400 -23.396 1.00 0.97 N ATOM 1468 CA ARG A 99 25.659 28.827 -24.280 1.00 1.17 C ATOM 1469 C ARG A 99 24.497 29.447 -23.503 1.00 1.38 C ATOM 1470 O ARG A 99 24.142 28.975 -22.423 1.00 1.41 O ATOM 1471 CB ARG A 99 25.156 27.633 -25.098 1.00 1.25 C ATOM 1472 CG ARG A 99 24.557 26.522 -24.250 1.00 1.85 C ATOM 1473 CD ARG A 99 24.145 25.332 -25.099 1.00 2.04 C ATOM 1474 NE ARG A 99 23.257 25.717 -26.198 1.00 2.61 N ATOM 1475 CZ ARG A 99 22.525 24.855 -26.901 1.00 2.99 C ATOM 1476 NH1 ARG A 99 22.510 23.569 -26.579 1.00 2.82 N ATOM 1477 NH2 ARG A 99 21.797 25.282 -27.925 1.00 3.92 N ATOM 0 H ARG A 99 26.449 28.178 -22.443 1.00 0.97 H new ATOM 0 HA ARG A 99 26.059 29.592 -24.946 1.00 1.17 H new ATOM 0 HB2 ARG A 99 24.406 27.980 -25.809 1.00 1.25 H new ATOM 0 HB3 ARG A 99 25.984 27.228 -25.680 1.00 1.25 H new ATOM 0 HG2 ARG A 99 25.283 26.202 -23.502 1.00 1.85 H new ATOM 0 HG3 ARG A 99 23.690 26.903 -23.710 1.00 1.85 H new ATOM 0 HD2 ARG A 99 25.035 24.852 -25.505 1.00 2.04 H new ATOM 0 HD3 ARG A 99 23.644 24.596 -24.471 1.00 2.04 H new ATOM 0 HE ARG A 99 23.195 26.706 -26.440 1.00 2.61 H new ATOM 0 HH11 ARG A 99 23.061 23.235 -25.789 1.00 2.82 H new ATOM 0 HH12 ARG A 99 21.947 22.914 -27.122 1.00 2.82 H new ATOM 0 HH21 ARG A 99 21.798 26.271 -28.174 1.00 3.92 H new ATOM 0 HH22 ARG A 99 21.237 24.621 -28.463 1.00 3.92 H new ATOM 1688 N ALA A 112 17.999 23.541 -19.066 1.00 1.24 N ATOM 1689 CA ALA A 112 18.957 23.498 -17.965 1.00 1.02 C ATOM 1690 C ALA A 112 20.331 24.049 -18.364 1.00 0.97 C ATOM 1691 O ALA A 112 21.163 24.317 -17.501 1.00 1.15 O ATOM 1692 CB ALA A 112 19.083 22.077 -17.433 1.00 1.06 C ATOM 0 HA ALA A 112 18.574 24.144 -17.176 1.00 1.02 H new ATOM 0 HB1 ALA A 112 19.800 22.058 -16.612 1.00 1.06 H new ATOM 0 HB2 ALA A 112 18.112 21.735 -17.074 1.00 1.06 H new ATOM 0 HB3 ALA A 112 19.427 21.419 -18.231 1.00 1.06 H new ATOM 1698 N GLY A 113 20.568 24.201 -19.667 1.00 0.94 N ATOM 1699 CA GLY A 113 21.803 24.814 -20.148 1.00 0.89 C ATOM 1700 C GLY A 113 23.041 23.996 -19.827 1.00 0.79 C ATOM 1701 O GLY A 113 22.945 22.923 -19.229 1.00 0.83 O ATOM 0 H GLY A 113 19.925 23.910 -20.403 1.00 0.94 H new ATOM 0 HA2 GLY A 113 21.736 24.952 -21.227 1.00 0.89 H new ATOM 0 HA3 GLY A 113 21.905 25.805 -19.706 1.00 0.89 H new ATOM 1705 N LEU A 114 24.215 24.501 -20.210 1.00 0.73 N ATOM 1706 CA LEU A 114 25.446 23.755 -20.007 1.00 0.66 C ATOM 1707 C LEU A 114 26.642 24.678 -19.859 1.00 0.58 C ATOM 1708 O LEU A 114 26.744 25.707 -20.531 1.00 0.63 O ATOM 1709 CB LEU A 114 25.686 22.767 -21.153 1.00 0.74 C ATOM 1710 CG LEU A 114 24.850 21.487 -21.089 1.00 0.83 C ATOM 1711 CD1 LEU A 114 25.059 20.648 -22.331 1.00 0.93 C ATOM 1712 CD2 LEU A 114 25.211 20.679 -19.857 1.00 0.80 C ATOM 0 H LEU A 114 24.334 25.411 -20.656 1.00 0.73 H new ATOM 0 HA LEU A 114 25.331 23.195 -19.079 1.00 0.66 H new ATOM 0 HB2 LEU A 114 25.479 23.271 -22.097 1.00 0.74 H new ATOM 0 HB3 LEU A 114 26.741 22.494 -21.162 1.00 0.74 H new ATOM 0 HG LEU A 114 23.800 21.772 -21.032 1.00 0.83 H new ATOM 0 HD11 LEU A 114 24.455 19.743 -22.264 1.00 0.93 H new ATOM 0 HD12 LEU A 114 24.761 21.219 -23.210 1.00 0.93 H new ATOM 0 HD13 LEU A 114 26.111 20.377 -22.414 1.00 0.93 H new ATOM 0 HD21 LEU A 114 24.607 19.772 -19.827 1.00 0.80 H new ATOM 0 HD22 LEU A 114 26.267 20.411 -19.894 1.00 0.80 H new ATOM 0 HD23 LEU A 114 25.019 21.273 -18.963 1.00 0.80 H new ATOM 1724 N ILE A 115 27.526 24.300 -18.957 1.00 0.49 N ATOM 1725 CA ILE A 115 28.771 25.009 -18.738 1.00 0.42 C ATOM 1726 C ILE A 115 29.928 24.157 -19.249 1.00 0.43 C ATOM 1727 O ILE A 115 29.975 22.952 -18.986 1.00 0.47 O ATOM 1728 CB ILE A 115 28.976 25.307 -17.234 1.00 0.34 C ATOM 1729 CG1 ILE A 115 27.779 26.090 -16.685 1.00 0.36 C ATOM 1730 CG2 ILE A 115 30.274 26.074 -17.007 1.00 0.31 C ATOM 1731 CD1 ILE A 115 27.716 26.124 -15.175 1.00 0.28 C ATOM 0 H ILE A 115 27.400 23.488 -18.352 1.00 0.49 H new ATOM 0 HA ILE A 115 28.735 25.956 -19.276 1.00 0.42 H new ATOM 0 HB ILE A 115 29.048 24.361 -16.698 1.00 0.34 H new ATOM 0 HG12 ILE A 115 27.821 27.112 -17.061 1.00 0.36 H new ATOM 0 HG13 ILE A 115 26.860 25.647 -17.068 1.00 0.36 H new ATOM 0 HG21 ILE A 115 30.398 26.273 -15.942 1.00 0.31 H new ATOM 0 HG22 ILE A 115 31.115 25.480 -17.365 1.00 0.31 H new ATOM 0 HG23 ILE A 115 30.239 27.018 -17.551 1.00 0.31 H new ATOM 0 HD11 ILE A 115 26.843 26.696 -14.860 1.00 0.28 H new ATOM 0 HD12 ILE A 115 27.642 25.107 -14.791 1.00 0.28 H new ATOM 0 HD13 ILE A 115 28.618 26.594 -14.784 1.00 0.28 H new ATOM 1743 N GLU A 116 30.846 24.766 -19.985 1.00 0.43 N ATOM 1744 CA GLU A 116 32.005 24.041 -20.486 1.00 0.47 C ATOM 1745 C GLU A 116 33.106 24.053 -19.430 1.00 0.45 C ATOM 1746 O GLU A 116 33.673 25.096 -19.098 1.00 0.49 O ATOM 1747 CB GLU A 116 32.487 24.618 -21.833 1.00 0.54 C ATOM 1748 CG GLU A 116 32.777 26.110 -21.820 1.00 0.84 C ATOM 1749 CD GLU A 116 33.176 26.644 -23.184 1.00 1.03 C ATOM 1750 OE1 GLU A 116 33.889 25.933 -23.925 1.00 1.14 O ATOM 1751 OE2 GLU A 116 32.781 27.780 -23.525 1.00 1.40 O ATOM 0 H GLU A 116 30.812 25.751 -20.247 1.00 0.43 H new ATOM 0 HA GLU A 116 31.725 23.005 -20.678 1.00 0.47 H new ATOM 0 HB2 GLU A 116 33.391 24.089 -22.136 1.00 0.54 H new ATOM 0 HB3 GLU A 116 31.730 24.416 -22.591 1.00 0.54 H new ATOM 0 HG2 GLU A 116 31.894 26.644 -21.470 1.00 0.84 H new ATOM 0 HG3 GLU A 116 33.576 26.314 -21.107 1.00 0.84 H new ATOM 1758 N ILE A 117 33.360 22.884 -18.870 1.00 0.47 N ATOM 1759 CA ILE A 117 34.307 22.736 -17.783 1.00 0.50 C ATOM 1760 C ILE A 117 35.675 22.442 -18.357 1.00 0.56 C ATOM 1761 O ILE A 117 35.843 21.459 -19.080 1.00 0.63 O ATOM 1762 CB ILE A 117 33.898 21.577 -16.851 1.00 0.53 C ATOM 1763 CG1 ILE A 117 32.371 21.517 -16.720 1.00 0.48 C ATOM 1764 CG2 ILE A 117 34.555 21.734 -15.486 1.00 0.60 C ATOM 1765 CD1 ILE A 117 31.746 22.770 -16.147 1.00 0.41 C ATOM 0 H ILE A 117 32.915 22.012 -19.157 1.00 0.47 H new ATOM 0 HA ILE A 117 34.322 23.661 -17.207 1.00 0.50 H new ATOM 0 HB ILE A 117 34.242 20.638 -17.285 1.00 0.53 H new ATOM 0 HG12 ILE A 117 31.941 21.327 -17.703 1.00 0.48 H new ATOM 0 HG13 ILE A 117 32.105 20.670 -16.087 1.00 0.48 H new ATOM 0 HG21 ILE A 117 34.256 20.908 -14.841 1.00 0.60 H new ATOM 0 HG22 ILE A 117 35.639 21.730 -15.601 1.00 0.60 H new ATOM 0 HG23 ILE A 117 34.241 22.677 -15.037 1.00 0.60 H new ATOM 0 HD11 ILE A 117 30.665 22.643 -16.089 1.00 0.41 H new ATOM 0 HD12 ILE A 117 32.145 22.952 -15.149 1.00 0.41 H new ATOM 0 HD13 ILE A 117 31.978 23.619 -16.790 1.00 0.41 H new ATOM 1777 N LEU A 118 36.641 23.280 -18.058 1.00 0.61 N ATOM 1778 CA LEU A 118 37.969 23.103 -18.613 1.00 0.70 C ATOM 1779 C LEU A 118 38.807 22.232 -17.688 1.00 0.79 C ATOM 1780 O LEU A 118 38.570 22.200 -16.477 1.00 0.88 O ATOM 1781 CB LEU A 118 38.652 24.459 -18.877 1.00 0.84 C ATOM 1782 CG LEU A 118 39.166 25.231 -17.653 1.00 0.96 C ATOM 1783 CD1 LEU A 118 39.925 26.470 -18.099 1.00 1.15 C ATOM 1784 CD2 LEU A 118 38.029 25.634 -16.729 1.00 1.21 C ATOM 0 H LEU A 118 36.537 24.085 -17.440 1.00 0.61 H new ATOM 0 HA LEU A 118 37.877 22.598 -19.575 1.00 0.70 H new ATOM 0 HB2 LEU A 118 39.494 24.289 -19.548 1.00 0.84 H new ATOM 0 HB3 LEU A 118 37.945 25.097 -19.407 1.00 0.84 H new ATOM 0 HG LEU A 118 39.834 24.570 -17.101 1.00 0.96 H new ATOM 0 HD11 LEU A 118 40.285 27.011 -17.224 1.00 1.15 H new ATOM 0 HD12 LEU A 118 40.773 26.175 -18.717 1.00 1.15 H new ATOM 0 HD13 LEU A 118 39.262 27.115 -18.676 1.00 1.15 H new ATOM 0 HD21 LEU A 118 38.430 26.178 -15.874 1.00 1.21 H new ATOM 0 HD22 LEU A 118 37.330 26.272 -17.269 1.00 1.21 H new ATOM 0 HD23 LEU A 118 37.510 24.741 -16.380 1.00 1.21 H new ATOM 1796 N ASP A 119 39.754 21.503 -18.266 1.00 0.83 N ATOM 1797 CA ASP A 119 40.640 20.633 -17.497 1.00 0.95 C ATOM 1798 C ASP A 119 41.423 21.449 -16.482 1.00 1.01 C ATOM 1799 O ASP A 119 41.508 22.675 -16.595 1.00 0.98 O ATOM 1800 CB ASP A 119 41.631 19.909 -18.414 1.00 1.05 C ATOM 1801 CG ASP A 119 40.976 19.247 -19.610 1.00 1.65 C ATOM 1802 OD1 ASP A 119 41.137 19.749 -20.738 1.00 2.29 O ATOM 1803 OD2 ASP A 119 40.274 18.228 -19.413 1.00 2.22 O ATOM 0 H ASP A 119 39.930 21.496 -19.271 1.00 0.83 H new ATOM 0 HA ASP A 119 40.020 19.896 -16.987 1.00 0.95 H new ATOM 0 HB2 ASP A 119 42.376 20.623 -18.766 1.00 1.05 H new ATOM 0 HB3 ASP A 119 42.163 19.153 -17.836 1.00 1.05 H new ATOM 1808 N GLU A 120 42.034 20.781 -15.516 1.00 1.17 N ATOM 1809 CA GLU A 120 42.811 21.473 -14.499 1.00 1.32 C ATOM 1810 C GLU A 120 44.024 22.150 -15.133 1.00 1.33 C ATOM 1811 O GLU A 120 44.590 23.089 -14.572 1.00 1.44 O ATOM 1812 CB GLU A 120 43.255 20.519 -13.383 1.00 1.55 C ATOM 1813 CG GLU A 120 44.032 19.311 -13.871 1.00 1.63 C ATOM 1814 CD GLU A 120 43.139 18.138 -14.217 1.00 1.96 C ATOM 1815 OE1 GLU A 120 43.051 17.193 -13.409 1.00 1.89 O ATOM 1816 OE2 GLU A 120 42.521 18.166 -15.302 1.00 2.78 O ATOM 0 H GLU A 120 42.008 19.766 -15.415 1.00 1.17 H new ATOM 0 HA GLU A 120 42.172 22.233 -14.050 1.00 1.32 H new ATOM 0 HB2 GLU A 120 43.871 21.070 -12.672 1.00 1.55 H new ATOM 0 HB3 GLU A 120 42.373 20.176 -12.842 1.00 1.55 H new ATOM 0 HG2 GLU A 120 44.614 19.590 -14.749 1.00 1.63 H new ATOM 0 HG3 GLU A 120 44.742 19.007 -13.102 1.00 1.63 H new ATOM 1823 N LEU A 121 44.406 21.682 -16.320 1.00 1.28 N ATOM 1824 CA LEU A 121 45.532 22.261 -17.040 1.00 1.34 C ATOM 1825 C LEU A 121 45.038 23.280 -18.063 1.00 1.21 C ATOM 1826 O LEU A 121 45.787 23.685 -18.953 1.00 1.27 O ATOM 1827 CB LEU A 121 46.354 21.176 -17.753 1.00 1.45 C ATOM 1828 CG LEU A 121 46.959 20.078 -16.869 1.00 1.65 C ATOM 1829 CD1 LEU A 121 47.321 20.603 -15.489 1.00 1.77 C ATOM 1830 CD2 LEU A 121 46.019 18.890 -16.766 1.00 1.65 C ATOM 0 H LEU A 121 43.952 20.905 -16.800 1.00 1.28 H new ATOM 0 HA LEU A 121 46.172 22.758 -16.311 1.00 1.34 H new ATOM 0 HB2 LEU A 121 45.716 20.700 -18.498 1.00 1.45 H new ATOM 0 HB3 LEU A 121 47.165 21.664 -18.293 1.00 1.45 H new ATOM 0 HG LEU A 121 47.882 19.746 -17.344 1.00 1.65 H new ATOM 0 HD11 LEU A 121 47.746 19.796 -14.893 1.00 1.77 H new ATOM 0 HD12 LEU A 121 48.051 21.407 -15.585 1.00 1.77 H new ATOM 0 HD13 LEU A 121 46.425 20.984 -14.998 1.00 1.77 H new ATOM 0 HD21 LEU A 121 46.469 18.124 -16.134 1.00 1.65 H new ATOM 0 HD22 LEU A 121 45.073 19.211 -16.329 1.00 1.65 H new ATOM 0 HD23 LEU A 121 45.839 18.481 -17.760 1.00 1.65 H new ATOM 1842 N ARG A 122 43.768 23.676 -17.922 1.00 1.11 N ATOM 1843 CA ARG A 122 43.100 24.661 -18.793 1.00 1.08 C ATOM 1844 C ARG A 122 43.261 24.321 -20.277 1.00 1.13 C ATOM 1845 O ARG A 122 43.246 25.204 -21.134 1.00 1.46 O ATOM 1846 CB ARG A 122 43.582 26.104 -18.511 1.00 1.24 C ATOM 1847 CG ARG A 122 44.967 26.446 -19.050 1.00 1.80 C ATOM 1848 CD ARG A 122 45.219 27.946 -19.032 1.00 2.04 C ATOM 1849 NE ARG A 122 44.240 28.666 -19.854 1.00 2.50 N ATOM 1850 CZ ARG A 122 44.480 29.827 -20.468 1.00 3.32 C ATOM 1851 NH1 ARG A 122 45.677 30.402 -20.378 1.00 3.73 N ATOM 1852 NH2 ARG A 122 43.523 30.407 -21.185 1.00 4.14 N ATOM 0 H ARG A 122 43.160 23.316 -17.186 1.00 1.11 H new ATOM 0 HA ARG A 122 42.038 24.609 -18.553 1.00 1.08 H new ATOM 0 HB2 ARG A 122 42.861 26.800 -18.940 1.00 1.24 H new ATOM 0 HB3 ARG A 122 43.580 26.266 -17.433 1.00 1.24 H new ATOM 0 HG2 ARG A 122 45.726 25.942 -18.452 1.00 1.80 H new ATOM 0 HG3 ARG A 122 45.064 26.072 -20.069 1.00 1.80 H new ATOM 0 HD2 ARG A 122 45.173 28.311 -18.006 1.00 2.04 H new ATOM 0 HD3 ARG A 122 46.225 28.151 -19.399 1.00 2.04 H new ATOM 0 HE ARG A 122 43.314 28.252 -19.964 1.00 2.50 H new ATOM 0 HH11 ARG A 122 46.418 29.956 -19.837 1.00 3.73 H new ATOM 0 HH12 ARG A 122 45.853 31.289 -20.850 1.00 3.73 H new ATOM 0 HH21 ARG A 122 42.607 29.965 -21.265 1.00 4.14 H new ATOM 0 HH22 ARG A 122 43.704 31.294 -21.655 1.00 4.14 H new ATOM 1866 N THR A 123 43.374 23.039 -20.577 1.00 1.08 N ATOM 1867 CA THR A 123 43.582 22.593 -21.942 1.00 1.20 C ATOM 1868 C THR A 123 42.298 22.670 -22.769 1.00 1.15 C ATOM 1869 O THR A 123 42.192 23.487 -23.686 1.00 1.38 O ATOM 1870 CB THR A 123 44.130 21.157 -21.961 1.00 1.40 C ATOM 1871 OG1 THR A 123 43.730 20.474 -20.765 1.00 1.86 O ATOM 1872 CG2 THR A 123 45.649 21.150 -22.067 1.00 1.87 C ATOM 0 H THR A 123 43.325 22.286 -19.890 1.00 1.08 H new ATOM 0 HA THR A 123 44.312 23.265 -22.394 1.00 1.20 H new ATOM 0 HB THR A 123 43.723 20.647 -22.834 1.00 1.40 H new ATOM 0 HG1 THR A 123 42.898 19.983 -20.931 1.00 1.86 H new ATOM 0 HG21 THR A 123 46.008 20.121 -22.078 1.00 1.87 H new ATOM 0 HG22 THR A 123 45.952 21.650 -22.987 1.00 1.87 H new ATOM 0 HG23 THR A 123 46.076 21.674 -21.212 1.00 1.87 H new ATOM 1880 N THR A 124 41.326 21.836 -22.433 1.00 1.01 N ATOM 1881 CA THR A 124 40.105 21.735 -23.212 1.00 1.03 C ATOM 1882 C THR A 124 38.882 21.633 -22.308 1.00 0.89 C ATOM 1883 O THR A 124 38.983 21.811 -21.095 1.00 0.85 O ATOM 1884 CB THR A 124 40.158 20.501 -24.130 1.00 1.26 C ATOM 1885 OG1 THR A 124 40.692 19.377 -23.408 1.00 1.54 O ATOM 1886 CG2 THR A 124 41.006 20.782 -25.362 1.00 1.53 C ATOM 0 H THR A 124 41.361 21.218 -21.623 1.00 1.01 H new ATOM 0 HA THR A 124 40.022 22.639 -23.815 1.00 1.03 H new ATOM 0 HB THR A 124 39.145 20.268 -24.457 1.00 1.26 H new ATOM 0 HG1 THR A 124 40.679 19.569 -22.447 1.00 1.54 H new ATOM 0 HG21 THR A 124 41.030 19.896 -25.997 1.00 1.53 H new ATOM 0 HG22 THR A 124 40.576 21.615 -25.917 1.00 1.53 H new ATOM 0 HG23 THR A 124 42.021 21.036 -25.055 1.00 1.53 H new ATOM 1894 N VAL A 125 37.728 21.363 -22.907 1.00 0.90 N ATOM 1895 CA VAL A 125 36.510 21.124 -22.149 1.00 0.82 C ATOM 1896 C VAL A 125 36.359 19.628 -21.893 1.00 0.86 C ATOM 1897 O VAL A 125 36.483 18.822 -22.813 1.00 0.96 O ATOM 1898 CB VAL A 125 35.260 21.674 -22.882 1.00 0.82 C ATOM 1899 CG1 VAL A 125 35.185 21.148 -24.310 1.00 1.17 C ATOM 1900 CG2 VAL A 125 33.987 21.331 -22.116 1.00 1.29 C ATOM 0 H VAL A 125 37.612 21.304 -23.919 1.00 0.90 H new ATOM 0 HA VAL A 125 36.588 21.654 -21.200 1.00 0.82 H new ATOM 0 HB VAL A 125 35.351 22.759 -22.927 1.00 0.82 H new ATOM 0 HG11 VAL A 125 34.298 21.550 -24.800 1.00 1.17 H new ATOM 0 HG12 VAL A 125 36.075 21.457 -24.859 1.00 1.17 H new ATOM 0 HG13 VAL A 125 35.128 20.060 -24.294 1.00 1.17 H new ATOM 0 HG21 VAL A 125 33.123 21.727 -22.650 1.00 1.29 H new ATOM 0 HG22 VAL A 125 33.895 20.248 -22.030 1.00 1.29 H new ATOM 0 HG23 VAL A 125 34.032 21.772 -21.120 1.00 1.29 H new ATOM 1910 N ILE A 126 36.118 19.255 -20.643 1.00 0.82 N ATOM 1911 CA ILE A 126 36.046 17.848 -20.283 1.00 0.90 C ATOM 1912 C ILE A 126 34.838 17.188 -20.936 1.00 0.93 C ATOM 1913 O ILE A 126 34.982 16.350 -21.826 1.00 1.03 O ATOM 1914 CB ILE A 126 35.935 17.680 -18.755 1.00 0.89 C ATOM 1915 CG1 ILE A 126 37.033 18.477 -18.049 1.00 0.87 C ATOM 1916 CG2 ILE A 126 36.018 16.207 -18.378 1.00 1.00 C ATOM 1917 CD1 ILE A 126 36.782 18.677 -16.570 1.00 0.87 C ATOM 0 H ILE A 126 35.970 19.902 -19.868 1.00 0.82 H new ATOM 0 HA ILE A 126 36.960 17.371 -20.636 1.00 0.90 H new ATOM 0 HB ILE A 126 34.968 18.066 -18.432 1.00 0.89 H new ATOM 0 HG12 ILE A 126 37.985 17.963 -18.181 1.00 0.87 H new ATOM 0 HG13 ILE A 126 37.128 19.452 -18.528 1.00 0.87 H new ATOM 0 HG21 ILE A 126 35.938 16.103 -17.296 1.00 1.00 H new ATOM 0 HG22 ILE A 126 35.203 15.663 -18.856 1.00 1.00 H new ATOM 0 HG23 ILE A 126 36.972 15.799 -18.712 1.00 1.00 H new ATOM 0 HD11 ILE A 126 37.601 19.250 -16.136 1.00 0.87 H new ATOM 0 HD12 ILE A 126 35.846 19.218 -16.430 1.00 0.87 H new ATOM 0 HD13 ILE A 126 36.717 17.707 -16.077 1.00 0.87 H new ATOM 1929 N SER A 127 33.643 17.552 -20.491 1.00 0.87 N ATOM 1930 CA SER A 127 32.433 17.128 -21.171 1.00 0.92 C ATOM 1931 C SER A 127 31.426 18.275 -21.234 1.00 0.84 C ATOM 1932 O SER A 127 31.383 19.033 -22.205 1.00 0.85 O ATOM 1933 CB SER A 127 31.842 15.901 -20.472 1.00 0.99 C ATOM 1934 OG SER A 127 32.792 14.853 -20.409 1.00 1.56 O ATOM 0 H SER A 127 33.489 18.135 -19.669 1.00 0.87 H new ATOM 0 HA SER A 127 32.678 16.848 -22.196 1.00 0.92 H new ATOM 0 HB2 SER A 127 31.522 16.169 -19.465 1.00 0.99 H new ATOM 0 HB3 SER A 127 30.956 15.563 -21.009 1.00 0.99 H new ATOM 0 HG SER A 127 32.396 14.079 -19.958 1.00 1.56 H new ATOM 1940 N GLN A 128 30.642 18.393 -20.161 1.00 0.79 N ATOM 1941 CA GLN A 128 29.715 19.498 -19.946 1.00 0.74 C ATOM 1942 C GLN A 128 29.064 19.328 -18.574 1.00 0.69 C ATOM 1943 O GLN A 128 28.814 18.199 -18.152 1.00 0.73 O ATOM 1944 CB GLN A 128 28.635 19.572 -21.044 1.00 0.86 C ATOM 1945 CG GLN A 128 27.633 18.420 -21.042 1.00 1.02 C ATOM 1946 CD GLN A 128 28.206 17.116 -21.554 1.00 1.43 C ATOM 1947 OE1 GLN A 128 28.727 16.306 -20.789 1.00 2.08 O ATOM 1948 NE2 GLN A 128 28.107 16.901 -22.853 1.00 1.88 N ATOM 0 H GLN A 128 30.636 17.709 -19.405 1.00 0.79 H new ATOM 0 HA GLN A 128 30.274 20.433 -19.990 1.00 0.74 H new ATOM 0 HB2 GLN A 128 28.089 20.509 -20.933 1.00 0.86 H new ATOM 0 HB3 GLN A 128 29.128 19.603 -22.016 1.00 0.86 H new ATOM 0 HG2 GLN A 128 27.265 18.272 -20.027 1.00 1.02 H new ATOM 0 HG3 GLN A 128 26.775 18.695 -21.655 1.00 1.02 H new ATOM 0 HE21 GLN A 128 27.667 17.599 -23.453 1.00 1.88 H new ATOM 0 HE22 GLN A 128 28.470 16.037 -23.256 1.00 1.88 H new ATOM 1957 N HIS A 129 28.813 20.414 -17.861 1.00 0.63 N ATOM 1958 CA HIS A 129 28.067 20.315 -16.610 1.00 0.60 C ATOM 1959 C HIS A 129 26.757 21.069 -16.717 1.00 0.58 C ATOM 1960 O HIS A 129 26.730 22.256 -17.051 1.00 0.54 O ATOM 1961 CB HIS A 129 28.864 20.828 -15.398 1.00 0.54 C ATOM 1962 CG HIS A 129 29.976 19.921 -14.939 1.00 0.58 C ATOM 1963 ND1 HIS A 129 30.516 18.822 -15.527 1.00 0.58 N flip ATOM 1964 CD2 HIS A 129 30.688 20.105 -13.768 1.00 0.65 C flip ATOM 1965 CE1 HIS A 129 31.551 18.336 -14.732 1.00 0.65 C flip ATOM 1966 NE2 HIS A 129 31.614 19.142 -13.693 1.00 0.68 N flip ATOM 0 H HIS A 129 29.106 21.357 -18.117 1.00 0.63 H new ATOM 0 HA HIS A 129 27.873 19.255 -16.445 1.00 0.60 H new ATOM 0 HB2 HIS A 129 29.288 21.801 -15.646 1.00 0.54 H new ATOM 0 HB3 HIS A 129 28.175 20.983 -14.568 1.00 0.54 H new ATOM 0 HD1 HIS A 129 30.211 18.416 -16.412 1.00 0.58 H new ATOM 0 HD2 HIS A 129 30.525 20.888 -13.042 1.00 0.65 H new ATOM 0 HE1 HIS A 129 32.174 17.475 -14.928 1.00 0.65 H new ATOM 1974 N GLU A 130 25.678 20.355 -16.449 1.00 0.64 N ATOM 1975 CA GLU A 130 24.337 20.906 -16.514 1.00 0.64 C ATOM 1976 C GLU A 130 24.033 21.656 -15.223 1.00 0.56 C ATOM 1977 O GLU A 130 24.393 21.190 -14.134 1.00 0.54 O ATOM 1978 CB GLU A 130 23.350 19.754 -16.713 1.00 0.77 C ATOM 1979 CG GLU A 130 22.089 20.122 -17.468 1.00 0.82 C ATOM 1980 CD GLU A 130 21.130 18.953 -17.560 1.00 0.98 C ATOM 1981 OE1 GLU A 130 21.167 18.225 -18.578 1.00 1.18 O ATOM 1982 OE2 GLU A 130 20.360 18.745 -16.601 1.00 1.19 O ATOM 0 H GLU A 130 25.708 19.372 -16.179 1.00 0.64 H new ATOM 0 HA GLU A 130 24.250 21.605 -17.346 1.00 0.64 H new ATOM 0 HB2 GLU A 130 23.855 18.949 -17.247 1.00 0.77 H new ATOM 0 HB3 GLU A 130 23.070 19.361 -15.736 1.00 0.77 H new ATOM 0 HG2 GLU A 130 21.597 20.958 -16.970 1.00 0.82 H new ATOM 0 HG3 GLU A 130 22.351 20.458 -18.471 1.00 0.82 H new ATOM 1989 N PHE A 131 23.356 22.792 -15.326 1.00 0.53 N ATOM 1990 CA PHE A 131 23.111 23.617 -14.152 1.00 0.46 C ATOM 1991 C PHE A 131 21.620 23.711 -13.843 1.00 0.51 C ATOM 1992 O PHE A 131 20.776 23.428 -14.689 1.00 0.74 O ATOM 1993 CB PHE A 131 23.726 25.020 -14.311 1.00 0.42 C ATOM 1994 CG PHE A 131 23.233 25.823 -15.490 1.00 0.48 C ATOM 1995 CD1 PHE A 131 22.017 26.486 -15.444 1.00 0.60 C ATOM 1996 CD2 PHE A 131 24.008 25.940 -16.633 1.00 0.46 C ATOM 1997 CE1 PHE A 131 21.582 27.246 -16.513 1.00 0.70 C ATOM 1998 CE2 PHE A 131 23.577 26.695 -17.706 1.00 0.56 C ATOM 1999 CZ PHE A 131 22.363 27.350 -17.646 1.00 0.68 C ATOM 0 H PHE A 131 22.972 23.159 -16.197 1.00 0.53 H new ATOM 0 HA PHE A 131 23.600 23.132 -13.307 1.00 0.46 H new ATOM 0 HB2 PHE A 131 23.530 25.587 -13.401 1.00 0.42 H new ATOM 0 HB3 PHE A 131 24.808 24.915 -14.394 1.00 0.42 H new ATOM 0 HD1 PHE A 131 21.401 26.408 -14.561 1.00 0.60 H new ATOM 0 HD2 PHE A 131 24.961 25.434 -16.685 1.00 0.46 H new ATOM 0 HE1 PHE A 131 20.632 27.758 -16.462 1.00 0.70 H new ATOM 0 HE2 PHE A 131 24.190 26.773 -18.592 1.00 0.56 H new ATOM 0 HZ PHE A 131 22.025 27.942 -18.484 1.00 0.68 H new ATOM 2009 N GLY A 132 21.309 24.091 -12.614 1.00 0.48 N ATOM 2010 CA GLY A 132 19.933 24.163 -12.175 1.00 0.51 C ATOM 2011 C GLY A 132 19.553 25.566 -11.757 1.00 0.50 C ATOM 2012 O GLY A 132 20.414 26.340 -11.350 1.00 0.47 O ATOM 0 H GLY A 132 21.994 24.354 -11.906 1.00 0.48 H new ATOM 0 HA2 GLY A 132 19.276 23.832 -12.980 1.00 0.51 H new ATOM 0 HA3 GLY A 132 19.781 23.480 -11.339 1.00 0.51 H new ATOM 2016 N ILE A 133 18.274 25.905 -11.880 1.00 0.54 N ATOM 2017 CA ILE A 133 17.781 27.226 -11.481 1.00 0.55 C ATOM 2018 C ILE A 133 18.138 27.535 -10.020 1.00 0.54 C ATOM 2019 O ILE A 133 18.340 28.692 -9.648 1.00 0.56 O ATOM 2020 CB ILE A 133 16.251 27.323 -11.686 1.00 0.60 C ATOM 2021 CG1 ILE A 133 15.779 28.770 -11.533 1.00 0.64 C ATOM 2022 CG2 ILE A 133 15.505 26.410 -10.723 1.00 0.61 C ATOM 2023 CD1 ILE A 133 16.278 29.684 -12.630 1.00 0.67 C ATOM 0 H ILE A 133 17.556 25.284 -12.253 1.00 0.54 H new ATOM 0 HA ILE A 133 18.269 27.966 -12.116 1.00 0.55 H new ATOM 0 HB ILE A 133 16.028 26.991 -12.700 1.00 0.60 H new ATOM 0 HG12 ILE A 133 14.689 28.790 -11.522 1.00 0.64 H new ATOM 0 HG13 ILE A 133 16.115 29.154 -10.570 1.00 0.64 H new ATOM 0 HG21 ILE A 133 14.432 26.501 -10.892 1.00 0.61 H new ATOM 0 HG22 ILE A 133 15.812 25.377 -10.889 1.00 0.61 H new ATOM 0 HG23 ILE A 133 15.736 26.697 -9.697 1.00 0.61 H new ATOM 0 HD11 ILE A 133 15.906 30.694 -12.459 1.00 0.67 H new ATOM 0 HD12 ILE A 133 17.368 29.694 -12.628 1.00 0.67 H new ATOM 0 HD13 ILE A 133 15.920 29.324 -13.595 1.00 0.67 H new ATOM 2035 N THR A 134 18.238 26.485 -9.208 1.00 0.57 N ATOM 2036 CA THR A 134 18.623 26.613 -7.813 1.00 0.61 C ATOM 2037 C THR A 134 20.101 26.958 -7.700 1.00 0.57 C ATOM 2038 O THR A 134 20.524 27.681 -6.800 1.00 0.61 O ATOM 2039 CB THR A 134 18.346 25.303 -7.057 1.00 0.71 C ATOM 2040 OG1 THR A 134 18.875 24.189 -7.790 1.00 1.35 O ATOM 2041 CG2 THR A 134 16.860 25.104 -6.852 1.00 0.86 C ATOM 0 H THR A 134 18.054 25.526 -9.502 1.00 0.57 H new ATOM 0 HA THR A 134 18.032 27.415 -7.370 1.00 0.61 H new ATOM 0 HB THR A 134 18.832 25.366 -6.084 1.00 0.71 H new ATOM 0 HG1 THR A 134 18.695 23.360 -7.300 1.00 1.35 H new ATOM 0 HG21 THR A 134 16.688 24.171 -6.315 1.00 0.86 H new ATOM 0 HG22 THR A 134 16.458 25.935 -6.273 1.00 0.86 H new ATOM 0 HG23 THR A 134 16.361 25.062 -7.820 1.00 0.86 H new ATOM 2049 N SER A 135 20.879 26.429 -8.634 1.00 0.54 N ATOM 2050 CA SER A 135 22.301 26.687 -8.693 1.00 0.57 C ATOM 2051 C SER A 135 22.551 28.152 -9.032 1.00 0.46 C ATOM 2052 O SER A 135 23.515 28.751 -8.566 1.00 0.44 O ATOM 2053 CB SER A 135 22.932 25.789 -9.756 1.00 0.72 C ATOM 2054 OG SER A 135 22.368 24.484 -9.710 1.00 1.10 O ATOM 0 H SER A 135 20.537 25.810 -9.369 1.00 0.54 H new ATOM 0 HA SER A 135 22.750 26.472 -7.723 1.00 0.57 H new ATOM 0 HB2 SER A 135 22.778 26.223 -10.744 1.00 0.72 H new ATOM 0 HB3 SER A 135 24.009 25.731 -9.598 1.00 0.72 H new ATOM 0 HG SER A 135 22.239 24.216 -8.776 1.00 1.10 H new ATOM 2060 N LEU A 136 21.657 28.720 -9.835 1.00 0.45 N ATOM 2061 CA LEU A 136 21.772 30.105 -10.282 1.00 0.43 C ATOM 2062 C LEU A 136 21.387 31.095 -9.180 1.00 0.47 C ATOM 2063 O LEU A 136 20.459 31.884 -9.341 1.00 0.53 O ATOM 2064 CB LEU A 136 20.924 30.344 -11.540 1.00 0.48 C ATOM 2065 CG LEU A 136 21.610 30.025 -12.874 1.00 0.81 C ATOM 2066 CD1 LEU A 136 22.043 28.571 -12.948 1.00 1.46 C ATOM 2067 CD2 LEU A 136 20.688 30.352 -14.032 1.00 1.24 C ATOM 0 H LEU A 136 20.834 28.235 -10.194 1.00 0.45 H new ATOM 0 HA LEU A 136 22.820 30.279 -10.528 1.00 0.43 H new ATOM 0 HB2 LEU A 136 20.018 29.742 -11.465 1.00 0.48 H new ATOM 0 HB3 LEU A 136 20.613 31.389 -11.553 1.00 0.48 H new ATOM 0 HG LEU A 136 22.504 30.644 -12.940 1.00 0.81 H new ATOM 0 HD11 LEU A 136 22.525 28.383 -13.907 1.00 1.46 H new ATOM 0 HD12 LEU A 136 22.745 28.359 -12.142 1.00 1.46 H new ATOM 0 HD13 LEU A 136 21.170 27.926 -12.848 1.00 1.46 H new ATOM 0 HD21 LEU A 136 21.189 30.120 -14.972 1.00 1.24 H new ATOM 0 HD22 LEU A 136 19.777 29.759 -13.950 1.00 1.24 H new ATOM 0 HD23 LEU A 136 20.435 31.412 -14.007 1.00 1.24 H new ATOM 2079 N VAL A 137 22.078 31.011 -8.051 1.00 0.49 N ATOM 2080 CA VAL A 137 21.873 31.931 -6.933 1.00 0.60 C ATOM 2081 C VAL A 137 21.822 33.377 -7.430 1.00 0.65 C ATOM 2082 O VAL A 137 20.904 34.129 -7.110 1.00 0.77 O ATOM 2083 CB VAL A 137 23.010 31.800 -5.895 1.00 0.63 C ATOM 2084 CG1 VAL A 137 22.728 32.658 -4.670 1.00 0.82 C ATOM 2085 CG2 VAL A 137 23.226 30.346 -5.501 1.00 0.59 C ATOM 0 H VAL A 137 22.795 30.306 -7.882 1.00 0.49 H new ATOM 0 HA VAL A 137 20.925 31.671 -6.463 1.00 0.60 H new ATOM 0 HB VAL A 137 23.929 32.162 -6.357 1.00 0.63 H new ATOM 0 HG11 VAL A 137 23.543 32.549 -3.954 1.00 0.82 H new ATOM 0 HG12 VAL A 137 22.645 33.703 -4.969 1.00 0.82 H new ATOM 0 HG13 VAL A 137 21.794 32.338 -4.209 1.00 0.82 H new ATOM 0 HG21 VAL A 137 24.032 30.283 -4.770 1.00 0.59 H new ATOM 0 HG22 VAL A 137 22.310 29.947 -5.067 1.00 0.59 H new ATOM 0 HG23 VAL A 137 23.492 29.765 -6.384 1.00 0.59 H new ATOM 2095 N ASN A 138 22.796 33.730 -8.259 1.00 0.59 N ATOM 2096 CA ASN A 138 22.923 35.082 -8.799 1.00 0.66 C ATOM 2097 C ASN A 138 22.226 35.197 -10.157 1.00 0.58 C ATOM 2098 O ASN A 138 22.686 35.910 -11.041 1.00 0.60 O ATOM 2099 CB ASN A 138 24.402 35.470 -8.919 1.00 0.76 C ATOM 2100 CG ASN A 138 25.049 35.704 -7.561 1.00 1.36 C ATOM 2101 OD1 ASN A 138 24.990 36.806 -7.020 1.00 2.08 O ATOM 2102 ND2 ASN A 138 25.676 34.676 -7.006 1.00 2.17 N ATOM 0 H ASN A 138 23.522 33.088 -8.578 1.00 0.59 H new ATOM 0 HA ASN A 138 22.435 35.772 -8.110 1.00 0.66 H new ATOM 0 HB2 ASN A 138 24.941 34.682 -9.445 1.00 0.76 H new ATOM 0 HB3 ASN A 138 24.491 36.374 -9.522 1.00 0.76 H new ATOM 0 HD21 ASN A 138 26.131 34.785 -6.099 1.00 2.17 H new ATOM 0 HD22 ASN A 138 25.704 33.776 -7.486 1.00 2.17 H new ATOM 2109 N LYS A 139 21.106 34.492 -10.298 1.00 0.55 N ATOM 2110 CA LYS A 139 20.357 34.415 -11.562 1.00 0.56 C ATOM 2111 C LYS A 139 19.980 35.784 -12.141 1.00 0.66 C ATOM 2112 O LYS A 139 19.745 35.904 -13.342 1.00 0.76 O ATOM 2113 CB LYS A 139 19.079 33.602 -11.354 1.00 0.62 C ATOM 2114 CG LYS A 139 18.158 34.173 -10.288 1.00 0.75 C ATOM 2115 CD LYS A 139 16.966 33.260 -10.034 1.00 0.96 C ATOM 2116 CE LYS A 139 17.377 31.959 -9.341 1.00 0.74 C ATOM 2117 NZ LYS A 139 17.840 32.184 -7.945 1.00 1.39 N ATOM 0 H LYS A 139 20.686 33.954 -9.540 1.00 0.55 H new ATOM 0 HA LYS A 139 21.022 33.935 -12.280 1.00 0.56 H new ATOM 0 HB2 LYS A 139 18.537 33.546 -12.298 1.00 0.62 H new ATOM 0 HB3 LYS A 139 19.348 32.582 -11.080 1.00 0.62 H new ATOM 0 HG2 LYS A 139 18.715 34.313 -9.361 1.00 0.75 H new ATOM 0 HG3 LYS A 139 17.805 35.156 -10.599 1.00 0.75 H new ATOM 0 HD2 LYS A 139 16.234 33.783 -9.419 1.00 0.96 H new ATOM 0 HD3 LYS A 139 16.479 33.028 -10.981 1.00 0.96 H new ATOM 0 HE2 LYS A 139 16.532 31.271 -9.334 1.00 0.74 H new ATOM 0 HE3 LYS A 139 18.173 31.481 -9.913 1.00 0.74 H new ATOM 0 HZ1 LYS A 139 17.466 31.433 -7.330 1.00 1.39 H new ATOM 0 HZ2 LYS A 139 18.880 32.169 -7.917 1.00 1.39 H new ATOM 0 HZ3 LYS A 139 17.498 33.108 -7.611 1.00 1.39 H new ATOM 2131 N ARG A 140 19.905 36.809 -11.299 1.00 0.73 N ATOM 2132 CA ARG A 140 19.496 38.135 -11.763 1.00 0.87 C ATOM 2133 C ARG A 140 20.661 38.882 -12.405 1.00 0.86 C ATOM 2134 O ARG A 140 20.485 39.973 -12.947 1.00 1.01 O ATOM 2135 CB ARG A 140 18.916 38.968 -10.620 1.00 1.03 C ATOM 2136 CG ARG A 140 19.954 39.637 -9.732 1.00 1.11 C ATOM 2137 CD ARG A 140 19.290 40.623 -8.785 1.00 1.39 C ATOM 2138 NE ARG A 140 20.263 41.435 -8.053 1.00 1.65 N ATOM 2139 CZ ARG A 140 20.128 42.749 -7.849 1.00 2.04 C ATOM 2140 NH1 ARG A 140 19.064 43.400 -8.308 1.00 2.31 N ATOM 2141 NH2 ARG A 140 21.062 43.418 -7.186 1.00 2.46 N ATOM 0 H ARG A 140 20.119 36.752 -10.303 1.00 0.73 H new ATOM 0 HA ARG A 140 18.721 37.985 -12.515 1.00 0.87 H new ATOM 0 HB2 ARG A 140 18.268 39.737 -11.041 1.00 1.03 H new ATOM 0 HB3 ARG A 140 18.289 38.326 -10.002 1.00 1.03 H new ATOM 0 HG2 ARG A 140 20.493 38.882 -9.160 1.00 1.11 H new ATOM 0 HG3 ARG A 140 20.689 40.155 -10.348 1.00 1.11 H new ATOM 0 HD2 ARG A 140 18.628 41.277 -9.352 1.00 1.39 H new ATOM 0 HD3 ARG A 140 18.668 40.078 -8.075 1.00 1.39 H new ATOM 0 HE ARG A 140 21.091 40.972 -7.677 1.00 1.65 H new ATOM 0 HH11 ARG A 140 18.341 42.897 -8.822 1.00 2.31 H new ATOM 0 HH12 ARG A 140 18.971 44.403 -8.147 1.00 2.31 H new ATOM 0 HH21 ARG A 140 21.884 42.930 -6.831 1.00 2.46 H new ATOM 0 HH22 ARG A 140 20.958 44.421 -7.031 1.00 2.46 H new ATOM 2155 N ASP A 141 21.843 38.291 -12.325 1.00 0.73 N ATOM 2156 CA ASP A 141 23.054 38.897 -12.883 1.00 0.75 C ATOM 2157 C ASP A 141 22.997 38.896 -14.416 1.00 0.72 C ATOM 2158 O ASP A 141 22.090 38.322 -15.017 1.00 0.75 O ATOM 2159 CB ASP A 141 24.305 38.138 -12.407 1.00 0.74 C ATOM 2160 CG ASP A 141 25.557 38.999 -12.403 1.00 1.24 C ATOM 2161 OD1 ASP A 141 26.068 39.310 -11.313 1.00 1.89 O ATOM 2162 OD2 ASP A 141 26.022 39.386 -13.493 1.00 1.57 O ATOM 0 H ASP A 141 21.995 37.387 -11.877 1.00 0.73 H new ATOM 0 HA ASP A 141 23.112 39.927 -12.532 1.00 0.75 H new ATOM 0 HB2 ASP A 141 24.130 37.756 -11.401 1.00 0.74 H new ATOM 0 HB3 ASP A 141 24.467 37.275 -13.052 1.00 0.74 H new ATOM 2167 N LEU A 142 23.990 39.513 -15.040 1.00 0.85 N ATOM 2168 CA LEU A 142 24.054 39.628 -16.495 1.00 0.92 C ATOM 2169 C LEU A 142 24.777 38.428 -17.094 1.00 0.80 C ATOM 2170 O LEU A 142 25.193 38.457 -18.256 1.00 1.03 O ATOM 2171 CB LEU A 142 24.757 40.940 -16.887 1.00 1.16 C ATOM 2172 CG LEU A 142 26.122 41.202 -16.223 1.00 2.05 C ATOM 2173 CD1 LEU A 142 27.248 40.456 -16.926 1.00 2.56 C ATOM 2174 CD2 LEU A 142 26.415 42.693 -16.186 1.00 2.88 C ATOM 0 H LEU A 142 24.775 39.949 -14.555 1.00 0.85 H new ATOM 0 HA LEU A 142 23.039 39.644 -16.893 1.00 0.92 H new ATOM 0 HB2 LEU A 142 24.895 40.946 -17.968 1.00 1.16 H new ATOM 0 HB3 LEU A 142 24.093 41.770 -16.646 1.00 1.16 H new ATOM 0 HG LEU A 142 26.068 40.825 -15.202 1.00 2.05 H new ATOM 0 HD11 LEU A 142 28.193 40.668 -16.426 1.00 2.56 H new ATOM 0 HD12 LEU A 142 27.052 39.384 -16.891 1.00 2.56 H new ATOM 0 HD13 LEU A 142 27.306 40.780 -17.965 1.00 2.56 H new ATOM 0 HD21 LEU A 142 27.383 42.862 -15.714 1.00 2.88 H new ATOM 0 HD22 LEU A 142 26.434 43.085 -17.203 1.00 2.88 H new ATOM 0 HD23 LEU A 142 25.639 43.202 -15.615 1.00 2.88 H new ATOM 2186 N LEU A 143 24.883 37.377 -16.286 1.00 0.90 N ATOM 2187 CA LEU A 143 25.660 36.183 -16.607 1.00 0.81 C ATOM 2188 C LEU A 143 25.390 35.697 -18.032 1.00 0.88 C ATOM 2189 O LEU A 143 24.265 35.336 -18.377 1.00 0.97 O ATOM 2190 CB LEU A 143 25.326 35.084 -15.592 1.00 0.70 C ATOM 2191 CG LEU A 143 26.334 33.936 -15.501 1.00 0.60 C ATOM 2192 CD1 LEU A 143 27.721 34.477 -15.198 1.00 0.65 C ATOM 2193 CD2 LEU A 143 25.917 32.941 -14.426 1.00 0.58 C ATOM 0 H LEU A 143 24.425 37.330 -15.376 1.00 0.90 H new ATOM 0 HA LEU A 143 26.720 36.431 -16.550 1.00 0.81 H new ATOM 0 HB2 LEU A 143 25.234 35.541 -14.607 1.00 0.70 H new ATOM 0 HB3 LEU A 143 24.350 34.667 -15.843 1.00 0.70 H new ATOM 0 HG LEU A 143 26.356 33.422 -16.462 1.00 0.60 H new ATOM 0 HD11 LEU A 143 28.428 33.650 -15.136 1.00 0.65 H new ATOM 0 HD12 LEU A 143 28.027 35.158 -15.992 1.00 0.65 H new ATOM 0 HD13 LEU A 143 27.704 35.012 -14.248 1.00 0.65 H new ATOM 0 HD21 LEU A 143 26.646 32.132 -14.376 1.00 0.58 H new ATOM 0 HD22 LEU A 143 25.869 33.446 -13.461 1.00 0.58 H new ATOM 0 HD23 LEU A 143 24.937 32.531 -14.670 1.00 0.58 H new ATOM 2205 N GLN A 144 26.431 35.703 -18.850 1.00 0.90 N ATOM 2206 CA GLN A 144 26.303 35.379 -20.267 1.00 1.00 C ATOM 2207 C GLN A 144 27.424 34.443 -20.709 1.00 0.92 C ATOM 2208 O GLN A 144 28.282 34.075 -19.908 1.00 0.84 O ATOM 2209 CB GLN A 144 26.352 36.663 -21.093 1.00 1.21 C ATOM 2210 CG GLN A 144 27.608 37.486 -20.842 1.00 1.27 C ATOM 2211 CD GLN A 144 27.748 38.657 -21.792 1.00 1.47 C ATOM 2212 OE1 GLN A 144 26.759 39.219 -22.263 1.00 1.71 O ATOM 2213 NE2 GLN A 144 28.983 39.031 -22.087 1.00 1.77 N ATOM 0 H GLN A 144 27.381 35.930 -18.557 1.00 0.90 H new ATOM 0 HA GLN A 144 25.348 34.877 -20.424 1.00 1.00 H new ATOM 0 HB2 GLN A 144 26.296 36.409 -22.152 1.00 1.21 H new ATOM 0 HB3 GLN A 144 25.476 37.269 -20.864 1.00 1.21 H new ATOM 0 HG2 GLN A 144 27.594 37.857 -19.817 1.00 1.27 H new ATOM 0 HG3 GLN A 144 28.482 36.842 -20.936 1.00 1.27 H new ATOM 0 HE21 GLN A 144 29.777 38.540 -21.676 1.00 1.77 H new ATOM 0 HE22 GLN A 144 29.141 39.811 -22.725 1.00 1.77 H new ATOM 2222 N LYS A 145 27.417 34.074 -21.988 1.00 0.97 N ATOM 2223 CA LYS A 145 28.457 33.218 -22.544 1.00 0.98 C ATOM 2224 C LYS A 145 29.799 33.932 -22.498 1.00 1.01 C ATOM 2225 O LYS A 145 29.920 35.078 -22.935 1.00 1.11 O ATOM 2226 CB LYS A 145 28.126 32.831 -23.991 1.00 1.06 C ATOM 2227 CG LYS A 145 29.180 31.951 -24.647 1.00 1.17 C ATOM 2228 CD LYS A 145 28.883 31.721 -26.119 1.00 1.25 C ATOM 2229 CE LYS A 145 29.928 30.821 -26.760 1.00 1.41 C ATOM 2230 NZ LYS A 145 31.293 31.416 -26.705 1.00 1.43 N ATOM 0 H LYS A 145 26.701 34.356 -22.658 1.00 0.97 H new ATOM 0 HA LYS A 145 28.510 32.310 -21.944 1.00 0.98 H new ATOM 0 HB2 LYS A 145 27.169 32.310 -24.008 1.00 1.06 H new ATOM 0 HB3 LYS A 145 28.005 33.739 -24.582 1.00 1.06 H new ATOM 0 HG2 LYS A 145 30.160 32.417 -24.542 1.00 1.17 H new ATOM 0 HG3 LYS A 145 29.226 30.992 -24.131 1.00 1.17 H new ATOM 0 HD2 LYS A 145 27.896 31.270 -26.227 1.00 1.25 H new ATOM 0 HD3 LYS A 145 28.855 32.678 -26.640 1.00 1.25 H new ATOM 0 HE2 LYS A 145 29.934 29.856 -26.254 1.00 1.41 H new ATOM 0 HE3 LYS A 145 29.656 30.634 -27.799 1.00 1.41 H new ATOM 0 HZ1 LYS A 145 31.932 30.876 -27.323 1.00 1.43 H new ATOM 0 HZ2 LYS A 145 31.254 32.404 -27.026 1.00 1.43 H new ATOM 0 HZ3 LYS A 145 31.647 31.383 -25.728 1.00 1.43 H new ATOM 2244 N GLY A 146 30.801 33.257 -21.960 1.00 0.97 N ATOM 2245 CA GLY A 146 32.117 33.848 -21.874 1.00 1.06 C ATOM 2246 C GLY A 146 32.382 34.482 -20.525 1.00 1.00 C ATOM 2247 O GLY A 146 33.483 34.972 -20.276 1.00 1.07 O ATOM 0 H GLY A 146 30.727 32.312 -21.582 1.00 0.97 H new ATOM 0 HA2 GLY A 146 32.869 33.082 -22.066 1.00 1.06 H new ATOM 0 HA3 GLY A 146 32.224 34.602 -22.654 1.00 1.06 H new ATOM 2251 N ASP A 147 31.375 34.486 -19.653 1.00 0.90 N ATOM 2252 CA ASP A 147 31.559 35.002 -18.298 1.00 0.87 C ATOM 2253 C ASP A 147 31.959 33.862 -17.367 1.00 0.72 C ATOM 2254 O ASP A 147 31.521 32.719 -17.540 1.00 0.63 O ATOM 2255 CB ASP A 147 30.292 35.701 -17.792 1.00 0.89 C ATOM 2256 CG ASP A 147 30.564 36.641 -16.626 1.00 1.35 C ATOM 2257 OD1 ASP A 147 29.603 37.264 -16.129 1.00 1.94 O ATOM 2258 OD2 ASP A 147 31.740 36.775 -16.216 1.00 1.60 O ATOM 0 H ASP A 147 30.436 34.143 -19.856 1.00 0.90 H new ATOM 0 HA ASP A 147 32.356 35.746 -18.313 1.00 0.87 H new ATOM 0 HB2 ASP A 147 29.842 36.264 -18.610 1.00 0.89 H new ATOM 0 HB3 ASP A 147 29.565 34.949 -17.485 1.00 0.89 H new ATOM 2263 N LEU A 148 32.790 34.174 -16.386 1.00 0.75 N ATOM 2264 CA LEU A 148 33.410 33.150 -15.558 1.00 0.66 C ATOM 2265 C LEU A 148 32.556 32.824 -14.340 1.00 0.60 C ATOM 2266 O LEU A 148 32.064 33.720 -13.645 1.00 0.63 O ATOM 2267 CB LEU A 148 34.812 33.580 -15.102 1.00 0.75 C ATOM 2268 CG LEU A 148 35.902 33.632 -16.188 1.00 0.93 C ATOM 2269 CD1 LEU A 148 35.995 32.309 -16.934 1.00 1.46 C ATOM 2270 CD2 LEU A 148 35.666 34.780 -17.158 1.00 1.79 C ATOM 0 H LEU A 148 33.052 35.129 -16.143 1.00 0.75 H new ATOM 0 HA LEU A 148 33.496 32.254 -16.173 1.00 0.66 H new ATOM 0 HB2 LEU A 148 34.735 34.568 -14.648 1.00 0.75 H new ATOM 0 HB3 LEU A 148 35.141 32.895 -14.321 1.00 0.75 H new ATOM 0 HG LEU A 148 36.854 33.808 -15.687 1.00 0.93 H new ATOM 0 HD11 LEU A 148 36.773 32.374 -17.695 1.00 1.46 H new ATOM 0 HD12 LEU A 148 36.240 31.512 -16.232 1.00 1.46 H new ATOM 0 HD13 LEU A 148 35.039 32.092 -17.410 1.00 1.46 H new ATOM 0 HD21 LEU A 148 36.454 34.787 -17.911 1.00 1.79 H new ATOM 0 HD22 LEU A 148 34.699 34.652 -17.645 1.00 1.79 H new ATOM 0 HD23 LEU A 148 35.676 35.724 -16.614 1.00 1.79 H new ATOM 2282 N VAL A 149 32.401 31.534 -14.071 1.00 0.53 N ATOM 2283 CA VAL A 149 31.586 31.084 -12.956 1.00 0.48 C ATOM 2284 C VAL A 149 32.334 30.081 -12.087 1.00 0.46 C ATOM 2285 O VAL A 149 33.182 29.323 -12.569 1.00 0.49 O ATOM 2286 CB VAL A 149 30.263 30.439 -13.432 1.00 0.50 C ATOM 2287 CG1 VAL A 149 29.364 31.473 -14.086 1.00 1.16 C ATOM 2288 CG2 VAL A 149 30.538 29.288 -14.386 1.00 1.10 C ATOM 0 H VAL A 149 32.830 30.783 -14.611 1.00 0.53 H new ATOM 0 HA VAL A 149 31.357 31.974 -12.369 1.00 0.48 H new ATOM 0 HB VAL A 149 29.746 30.042 -12.558 1.00 0.50 H new ATOM 0 HG11 VAL A 149 28.440 30.997 -14.413 1.00 1.16 H new ATOM 0 HG12 VAL A 149 29.133 32.260 -13.368 1.00 1.16 H new ATOM 0 HG13 VAL A 149 29.873 31.906 -14.947 1.00 1.16 H new ATOM 0 HG21 VAL A 149 29.594 28.849 -14.708 1.00 1.10 H new ATOM 0 HG22 VAL A 149 31.082 29.658 -15.255 1.00 1.10 H new ATOM 0 HG23 VAL A 149 31.136 28.531 -13.879 1.00 1.10 H new ATOM 2298 N SER A 150 32.030 30.103 -10.802 1.00 0.46 N ATOM 2299 CA SER A 150 32.501 29.084 -9.885 1.00 0.47 C ATOM 2300 C SER A 150 31.312 28.284 -9.377 1.00 0.41 C ATOM 2301 O SER A 150 30.241 28.838 -9.129 1.00 0.49 O ATOM 2302 CB SER A 150 33.268 29.711 -8.723 1.00 0.59 C ATOM 2303 OG SER A 150 34.407 30.406 -9.199 1.00 1.44 O ATOM 0 H SER A 150 31.453 30.823 -10.368 1.00 0.46 H new ATOM 0 HA SER A 150 33.186 28.418 -10.409 1.00 0.47 H new ATOM 0 HB2 SER A 150 32.618 30.396 -8.178 1.00 0.59 H new ATOM 0 HB3 SER A 150 33.575 28.935 -8.021 1.00 0.59 H new ATOM 0 HG SER A 150 34.955 30.694 -8.440 1.00 1.44 H new ATOM 2309 N PHE A 151 31.497 26.986 -9.251 1.00 0.34 N ATOM 2310 CA PHE A 151 30.417 26.090 -8.878 1.00 0.34 C ATOM 2311 C PHE A 151 30.976 24.893 -8.140 1.00 0.41 C ATOM 2312 O PHE A 151 32.186 24.652 -8.168 1.00 0.49 O ATOM 2313 CB PHE A 151 29.661 25.639 -10.130 1.00 0.30 C ATOM 2314 CG PHE A 151 30.562 25.150 -11.231 1.00 0.35 C ATOM 2315 CD1 PHE A 151 30.983 26.015 -12.229 1.00 0.39 C ATOM 2316 CD2 PHE A 151 30.999 23.836 -11.261 1.00 0.47 C ATOM 2317 CE1 PHE A 151 31.825 25.580 -13.233 1.00 0.53 C ATOM 2318 CE2 PHE A 151 31.837 23.395 -12.265 1.00 0.59 C ATOM 2319 CZ PHE A 151 32.252 24.270 -13.250 1.00 0.61 C ATOM 0 H PHE A 151 32.393 26.523 -9.403 1.00 0.34 H new ATOM 0 HA PHE A 151 29.724 26.615 -8.221 1.00 0.34 H new ATOM 0 HB2 PHE A 151 28.967 24.843 -9.859 1.00 0.30 H new ATOM 0 HB3 PHE A 151 29.063 26.470 -10.503 1.00 0.30 H new ATOM 0 HD1 PHE A 151 30.648 27.042 -12.221 1.00 0.39 H new ATOM 0 HD2 PHE A 151 30.681 23.149 -10.491 1.00 0.47 H new ATOM 0 HE1 PHE A 151 32.148 26.265 -14.003 1.00 0.53 H new ATOM 0 HE2 PHE A 151 32.168 22.367 -12.281 1.00 0.59 H new ATOM 0 HZ PHE A 151 32.911 23.927 -14.034 1.00 0.61 H new ATOM 2329 N ARG A 152 30.113 24.138 -7.486 1.00 0.44 N ATOM 2330 CA ARG A 152 30.573 22.979 -6.756 1.00 0.51 C ATOM 2331 C ARG A 152 29.794 21.741 -7.179 1.00 0.50 C ATOM 2332 O ARG A 152 28.569 21.686 -7.048 1.00 0.54 O ATOM 2333 CB ARG A 152 30.376 23.230 -5.260 1.00 0.69 C ATOM 2334 CG ARG A 152 31.011 24.522 -4.767 1.00 0.94 C ATOM 2335 CD ARG A 152 30.201 25.143 -3.639 1.00 1.05 C ATOM 2336 NE ARG A 152 30.781 26.401 -3.165 1.00 1.29 N ATOM 2337 CZ ARG A 152 30.460 27.607 -3.643 1.00 1.57 C ATOM 2338 NH1 ARG A 152 29.608 27.729 -4.652 1.00 2.03 N ATOM 2339 NH2 ARG A 152 30.996 28.694 -3.110 1.00 2.20 N ATOM 0 H ARG A 152 29.107 24.304 -7.447 1.00 0.44 H new ATOM 0 HA ARG A 152 31.628 22.810 -6.971 1.00 0.51 H new ATOM 0 HB2 ARG A 152 29.308 23.254 -5.042 1.00 0.69 H new ATOM 0 HB3 ARG A 152 30.796 22.393 -4.702 1.00 0.69 H new ATOM 0 HG2 ARG A 152 32.025 24.322 -4.421 1.00 0.94 H new ATOM 0 HG3 ARG A 152 31.089 25.229 -5.593 1.00 0.94 H new ATOM 0 HD2 ARG A 152 29.182 25.322 -3.982 1.00 1.05 H new ATOM 0 HD3 ARG A 152 30.139 24.439 -2.809 1.00 1.05 H new ATOM 0 HE ARG A 152 31.476 26.354 -2.420 1.00 1.29 H new ATOM 0 HH11 ARG A 152 29.191 26.898 -5.071 1.00 2.03 H new ATOM 0 HH12 ARG A 152 29.370 28.654 -5.009 1.00 2.03 H new ATOM 0 HH21 ARG A 152 31.654 28.611 -2.335 1.00 2.20 H new ATOM 0 HH22 ARG A 152 30.751 29.615 -3.475 1.00 2.20 H new ATOM 2353 N ILE A 153 30.509 20.755 -7.701 1.00 0.51 N ATOM 2354 CA ILE A 153 29.956 19.440 -7.924 1.00 0.56 C ATOM 2355 C ILE A 153 30.442 18.499 -6.826 1.00 0.65 C ATOM 2356 O ILE A 153 31.538 18.689 -6.296 1.00 0.75 O ATOM 2357 CB ILE A 153 30.310 18.891 -9.324 1.00 0.58 C ATOM 2358 CG1 ILE A 153 31.764 18.455 -9.413 1.00 1.23 C ATOM 2359 CG2 ILE A 153 30.025 19.941 -10.386 1.00 0.93 C ATOM 2360 CD1 ILE A 153 32.041 17.578 -10.611 1.00 1.24 C ATOM 0 H ILE A 153 31.486 20.850 -7.979 1.00 0.51 H new ATOM 0 HA ILE A 153 28.869 19.512 -7.887 1.00 0.56 H new ATOM 0 HB ILE A 153 29.686 18.014 -9.496 1.00 0.58 H new ATOM 0 HG12 ILE A 153 32.401 19.338 -9.460 1.00 1.23 H new ATOM 0 HG13 ILE A 153 32.033 17.916 -8.504 1.00 1.23 H new ATOM 0 HG21 ILE A 153 30.278 19.543 -11.369 1.00 0.93 H new ATOM 0 HG22 ILE A 153 28.968 20.204 -10.363 1.00 0.93 H new ATOM 0 HG23 ILE A 153 30.625 20.830 -10.189 1.00 0.93 H new ATOM 0 HD11 ILE A 153 33.094 17.298 -10.621 1.00 1.24 H new ATOM 0 HD12 ILE A 153 31.428 16.679 -10.553 1.00 1.24 H new ATOM 0 HD13 ILE A 153 31.801 18.123 -11.524 1.00 1.24 H new ATOM 2372 N ASP A 154 29.645 17.505 -6.474 1.00 0.71 N ATOM 2373 CA ASP A 154 30.060 16.526 -5.467 1.00 0.82 C ATOM 2374 C ASP A 154 29.222 15.258 -5.576 1.00 0.96 C ATOM 2375 O ASP A 154 29.532 14.381 -6.383 1.00 1.09 O ATOM 2376 CB ASP A 154 30.014 17.150 -4.053 1.00 0.84 C ATOM 2377 CG ASP A 154 30.049 16.142 -2.916 1.00 1.45 C ATOM 2378 OD1 ASP A 154 31.125 15.564 -2.644 1.00 1.92 O ATOM 2379 OD2 ASP A 154 28.992 15.946 -2.277 1.00 1.73 O ATOM 0 H ASP A 154 28.715 17.349 -6.862 1.00 0.71 H new ATOM 0 HA ASP A 154 31.095 16.238 -5.653 1.00 0.82 H new ATOM 0 HB2 ASP A 154 30.858 17.832 -3.943 1.00 0.84 H new ATOM 0 HB3 ASP A 154 29.107 17.748 -3.963 1.00 0.84 H new ATOM 2384 N GLU A 155 28.144 15.167 -4.816 1.00 1.00 N ATOM 2385 CA GLU A 155 27.312 13.975 -4.845 1.00 1.17 C ATOM 2386 C GLU A 155 26.329 14.007 -6.011 1.00 1.23 C ATOM 2387 O GLU A 155 26.032 12.975 -6.604 1.00 1.46 O ATOM 2388 CB GLU A 155 26.565 13.802 -3.524 1.00 1.25 C ATOM 2389 CG GLU A 155 25.632 14.952 -3.180 1.00 1.32 C ATOM 2390 CD GLU A 155 24.763 14.648 -1.981 1.00 2.00 C ATOM 2391 OE1 GLU A 155 23.934 13.720 -2.070 1.00 2.28 O ATOM 2392 OE2 GLU A 155 24.901 15.326 -0.947 1.00 2.76 O ATOM 0 H GLU A 155 27.826 15.896 -4.177 1.00 1.00 H new ATOM 0 HA GLU A 155 27.972 13.119 -4.987 1.00 1.17 H new ATOM 0 HB2 GLU A 155 25.986 12.879 -3.565 1.00 1.25 H new ATOM 0 HB3 GLU A 155 27.293 13.686 -2.721 1.00 1.25 H new ATOM 0 HG2 GLU A 155 26.221 15.847 -2.981 1.00 1.32 H new ATOM 0 HG3 GLU A 155 24.998 15.172 -4.039 1.00 1.32 H new ATOM 2399 N SER A 156 25.839 15.195 -6.347 1.00 1.10 N ATOM 2400 CA SER A 156 24.869 15.332 -7.425 1.00 1.19 C ATOM 2401 C SER A 156 25.558 15.251 -8.784 1.00 1.14 C ATOM 2402 O SER A 156 24.911 15.013 -9.802 1.00 1.27 O ATOM 2403 CB SER A 156 24.106 16.655 -7.285 1.00 1.17 C ATOM 2404 OG SER A 156 23.149 16.818 -8.319 1.00 1.98 O ATOM 0 H SER A 156 26.096 16.071 -5.892 1.00 1.10 H new ATOM 0 HA SER A 156 24.157 14.510 -7.357 1.00 1.19 H new ATOM 0 HB2 SER A 156 23.606 16.686 -6.317 1.00 1.17 H new ATOM 0 HB3 SER A 156 24.811 17.486 -7.307 1.00 1.17 H new ATOM 0 HG SER A 156 23.429 16.308 -9.107 1.00 1.98 H new ATOM 2410 N GLY A 157 26.873 15.442 -8.789 1.00 1.04 N ATOM 2411 CA GLY A 157 27.643 15.322 -10.018 1.00 1.09 C ATOM 2412 C GLY A 157 27.452 16.486 -10.985 1.00 1.02 C ATOM 2413 O GLY A 157 28.238 16.652 -11.922 1.00 1.27 O ATOM 0 H GLY A 157 27.422 15.678 -7.963 1.00 1.04 H new ATOM 0 HA2 GLY A 157 28.700 15.242 -9.766 1.00 1.09 H new ATOM 0 HA3 GLY A 157 27.364 14.396 -10.521 1.00 1.09 H new ATOM 2417 N ARG A 158 26.422 17.298 -10.766 1.00 0.79 N ATOM 2418 CA ARG A 158 26.128 18.410 -11.667 1.00 0.72 C ATOM 2419 C ARG A 158 26.580 19.723 -11.041 1.00 0.56 C ATOM 2420 O ARG A 158 27.004 19.748 -9.886 1.00 0.57 O ATOM 2421 CB ARG A 158 24.630 18.466 -12.016 1.00 0.85 C ATOM 2422 CG ARG A 158 23.750 19.050 -10.918 1.00 1.47 C ATOM 2423 CD ARG A 158 22.279 19.049 -11.317 1.00 1.52 C ATOM 2424 NE ARG A 158 22.041 19.728 -12.599 1.00 2.12 N ATOM 2425 CZ ARG A 158 20.825 20.012 -13.079 1.00 2.75 C ATOM 2426 NH1 ARG A 158 19.746 19.786 -12.338 1.00 3.00 N ATOM 2427 NH2 ARG A 158 20.688 20.538 -14.290 1.00 3.61 N ATOM 0 H ARG A 158 25.780 17.209 -9.978 1.00 0.79 H new ATOM 0 HA ARG A 158 26.678 18.251 -12.594 1.00 0.72 H new ATOM 0 HB2 ARG A 158 24.502 19.059 -12.921 1.00 0.85 H new ATOM 0 HB3 ARG A 158 24.284 17.458 -12.244 1.00 0.85 H new ATOM 0 HG2 ARG A 158 23.879 18.473 -10.002 1.00 1.47 H new ATOM 0 HG3 ARG A 158 24.068 20.070 -10.700 1.00 1.47 H new ATOM 0 HD2 ARG A 158 21.925 18.020 -11.384 1.00 1.52 H new ATOM 0 HD3 ARG A 158 21.694 19.537 -10.537 1.00 1.52 H new ATOM 0 HE ARG A 158 22.852 19.999 -13.156 1.00 2.12 H new ATOM 0 HH11 ARG A 158 19.844 19.395 -11.401 1.00 3.00 H new ATOM 0 HH12 ARG A 158 18.820 20.003 -12.706 1.00 3.00 H new ATOM 0 HH21 ARG A 158 21.512 20.728 -14.860 1.00 3.61 H new ATOM 0 HH22 ARG A 158 19.758 20.752 -14.651 1.00 3.61 H new ATOM 2441 N ALA A 159 26.461 20.816 -11.787 1.00 0.48 N ATOM 2442 CA ALA A 159 26.951 22.104 -11.324 1.00 0.39 C ATOM 2443 C ALA A 159 25.906 22.790 -10.464 1.00 0.39 C ATOM 2444 O ALA A 159 24.857 23.210 -10.951 1.00 0.48 O ATOM 2445 CB ALA A 159 27.326 22.984 -12.504 1.00 0.37 C ATOM 0 H ALA A 159 26.031 20.834 -12.712 1.00 0.48 H new ATOM 0 HA ALA A 159 27.842 21.938 -10.719 1.00 0.39 H new ATOM 0 HB1 ALA A 159 27.691 23.944 -12.140 1.00 0.37 H new ATOM 0 HB2 ALA A 159 28.107 22.497 -13.088 1.00 0.37 H new ATOM 0 HB3 ALA A 159 26.450 23.143 -13.132 1.00 0.37 H new ATOM 2451 N ALA A 160 26.193 22.870 -9.177 1.00 0.38 N ATOM 2452 CA ALA A 160 25.291 23.481 -8.230 1.00 0.41 C ATOM 2453 C ALA A 160 25.959 24.664 -7.552 1.00 0.41 C ATOM 2454 O ALA A 160 27.190 24.729 -7.473 1.00 0.42 O ATOM 2455 CB ALA A 160 24.838 22.459 -7.199 1.00 0.49 C ATOM 0 H ALA A 160 27.055 22.514 -8.765 1.00 0.38 H new ATOM 0 HA ALA A 160 24.414 23.843 -8.766 1.00 0.41 H new ATOM 0 HB1 ALA A 160 24.158 22.933 -6.491 1.00 0.49 H new ATOM 0 HB2 ALA A 160 24.325 21.639 -7.701 1.00 0.49 H new ATOM 0 HB3 ALA A 160 25.706 22.072 -6.665 1.00 0.49 H new ATOM 2461 N CYS A 161 25.135 25.596 -7.083 1.00 0.47 N ATOM 2462 CA CYS A 161 25.611 26.778 -6.378 1.00 0.51 C ATOM 2463 C CYS A 161 26.583 27.584 -7.238 1.00 0.42 C ATOM 2464 O CYS A 161 27.650 27.985 -6.775 1.00 0.49 O ATOM 2465 CB CYS A 161 26.273 26.364 -5.063 1.00 0.63 C ATOM 2466 SG CYS A 161 25.244 25.286 -4.035 1.00 1.55 S ATOM 0 H CYS A 161 24.121 25.552 -7.181 1.00 0.47 H new ATOM 0 HA CYS A 161 24.755 27.418 -6.162 1.00 0.51 H new ATOM 0 HB2 CYS A 161 27.210 25.853 -5.284 1.00 0.63 H new ATOM 0 HB3 CYS A 161 26.524 27.260 -4.496 1.00 0.63 H new ATOM 0 HG CYS A 161 25.885 24.985 -2.945 1.00 1.55 H new ATOM 2472 N VAL A 162 26.204 27.816 -8.488 1.00 0.37 N ATOM 2473 CA VAL A 162 27.029 28.597 -9.395 1.00 0.35 C ATOM 2474 C VAL A 162 27.019 30.067 -8.986 1.00 0.39 C ATOM 2475 O VAL A 162 25.962 30.672 -8.763 1.00 0.48 O ATOM 2476 CB VAL A 162 26.591 28.462 -10.880 1.00 0.45 C ATOM 2477 CG1 VAL A 162 26.579 27.008 -11.315 1.00 1.15 C ATOM 2478 CG2 VAL A 162 25.234 29.090 -11.133 1.00 1.26 C ATOM 0 H VAL A 162 25.333 27.475 -8.894 1.00 0.37 H new ATOM 0 HA VAL A 162 28.040 28.196 -9.320 1.00 0.35 H new ATOM 0 HB VAL A 162 27.327 29.003 -11.475 1.00 0.45 H new ATOM 0 HG11 VAL A 162 26.269 26.943 -12.358 1.00 1.15 H new ATOM 0 HG12 VAL A 162 27.579 26.588 -11.207 1.00 1.15 H new ATOM 0 HG13 VAL A 162 25.881 26.448 -10.693 1.00 1.15 H new ATOM 0 HG21 VAL A 162 24.969 28.972 -12.184 1.00 1.26 H new ATOM 0 HG22 VAL A 162 24.485 28.599 -10.512 1.00 1.26 H new ATOM 0 HG23 VAL A 162 25.272 30.151 -10.885 1.00 1.26 H new ATOM 2488 N ASN A 163 28.200 30.628 -8.849 1.00 0.43 N ATOM 2489 CA ASN A 163 28.340 32.032 -8.526 1.00 0.53 C ATOM 2490 C ASN A 163 29.284 32.696 -9.518 1.00 0.52 C ATOM 2491 O ASN A 163 30.398 32.220 -9.757 1.00 0.53 O ATOM 2492 CB ASN A 163 28.804 32.225 -7.069 1.00 0.67 C ATOM 2493 CG ASN A 163 30.080 31.473 -6.723 1.00 1.29 C ATOM 2494 OD1 ASN A 163 30.040 30.308 -6.327 1.00 1.96 O ATOM 2495 ND2 ASN A 163 31.215 32.142 -6.837 1.00 2.05 N ATOM 0 H ASN A 163 29.084 30.130 -8.957 1.00 0.43 H new ATOM 0 HA ASN A 163 27.366 32.514 -8.609 1.00 0.53 H new ATOM 0 HB2 ASN A 163 28.960 33.288 -6.886 1.00 0.67 H new ATOM 0 HB3 ASN A 163 28.009 31.899 -6.399 1.00 0.67 H new ATOM 0 HD21 ASN A 163 32.098 31.694 -6.593 1.00 2.05 H new ATOM 0 HD22 ASN A 163 31.207 33.106 -7.169 1.00 2.05 H new ATOM 2502 N ALA A 164 28.803 33.762 -10.141 1.00 0.53 N ATOM 2503 CA ALA A 164 29.581 34.493 -11.126 1.00 0.56 C ATOM 2504 C ALA A 164 30.790 35.148 -10.481 1.00 0.63 C ATOM 2505 O ALA A 164 30.667 35.854 -9.479 1.00 0.75 O ATOM 2506 CB ALA A 164 28.712 35.536 -11.810 1.00 0.60 C ATOM 0 H ALA A 164 27.870 34.141 -9.979 1.00 0.53 H new ATOM 0 HA ALA A 164 29.939 33.787 -11.876 1.00 0.56 H new ATOM 0 HB1 ALA A 164 29.306 36.078 -12.546 1.00 0.60 H new ATOM 0 HB2 ALA A 164 27.877 35.044 -12.308 1.00 0.60 H new ATOM 0 HB3 ALA A 164 28.330 36.235 -11.066 1.00 0.60 H new ATOM 2512 N VAL A 165 31.959 34.911 -11.048 1.00 0.62 N ATOM 2513 CA VAL A 165 33.188 35.451 -10.487 1.00 0.70 C ATOM 2514 C VAL A 165 33.917 36.336 -11.490 1.00 0.71 C ATOM 2515 O VAL A 165 34.443 35.859 -12.494 1.00 0.95 O ATOM 2516 CB VAL A 165 34.142 34.337 -10.004 1.00 1.07 C ATOM 2517 CG1 VAL A 165 35.432 34.939 -9.460 1.00 1.43 C ATOM 2518 CG2 VAL A 165 33.467 33.478 -8.946 1.00 1.56 C ATOM 0 H VAL A 165 32.085 34.352 -11.892 1.00 0.62 H new ATOM 0 HA VAL A 165 32.892 36.052 -9.627 1.00 0.70 H new ATOM 0 HB VAL A 165 34.390 33.702 -10.855 1.00 1.07 H new ATOM 0 HG11 VAL A 165 36.093 34.140 -9.124 1.00 1.43 H new ATOM 0 HG12 VAL A 165 35.925 35.512 -10.245 1.00 1.43 H new ATOM 0 HG13 VAL A 165 35.202 35.596 -8.621 1.00 1.43 H new ATOM 0 HG21 VAL A 165 34.154 32.698 -8.618 1.00 1.56 H new ATOM 0 HG22 VAL A 165 33.190 34.100 -8.095 1.00 1.56 H new ATOM 0 HG23 VAL A 165 32.572 33.019 -9.366 1.00 1.56 H new ATOM 2528 N ARG A 166 33.938 37.627 -11.207 1.00 0.84 N ATOM 2529 CA ARG A 166 34.687 38.569 -12.014 1.00 1.15 C ATOM 2530 C ARG A 166 36.058 38.761 -11.393 1.00 1.13 C ATOM 2531 O ARG A 166 36.177 39.057 -10.201 1.00 1.05 O ATOM 2532 CB ARG A 166 33.947 39.904 -12.145 1.00 1.51 C ATOM 2533 CG ARG A 166 32.726 39.843 -13.057 1.00 1.76 C ATOM 2534 CD ARG A 166 31.586 39.051 -12.439 1.00 1.58 C ATOM 2535 NE ARG A 166 30.556 38.713 -13.422 1.00 1.94 N ATOM 2536 CZ ARG A 166 29.254 38.933 -13.249 1.00 2.24 C ATOM 2537 NH1 ARG A 166 28.804 39.554 -12.159 1.00 2.45 N ATOM 2538 NH2 ARG A 166 28.398 38.543 -14.178 1.00 2.94 N ATOM 0 H ARG A 166 33.442 38.046 -10.420 1.00 0.84 H new ATOM 0 HA ARG A 166 34.797 38.171 -13.023 1.00 1.15 H new ATOM 0 HB2 ARG A 166 33.633 40.234 -11.155 1.00 1.51 H new ATOM 0 HB3 ARG A 166 34.638 40.656 -12.527 1.00 1.51 H new ATOM 0 HG2 ARG A 166 32.386 40.856 -13.275 1.00 1.76 H new ATOM 0 HG3 ARG A 166 33.007 39.390 -14.008 1.00 1.76 H new ATOM 0 HD2 ARG A 166 31.979 38.136 -11.997 1.00 1.58 H new ATOM 0 HD3 ARG A 166 31.139 39.630 -11.630 1.00 1.58 H new ATOM 0 HE ARG A 166 30.855 38.281 -14.296 1.00 1.94 H new ATOM 0 HH11 ARG A 166 29.460 39.868 -11.443 1.00 2.45 H new ATOM 0 HH12 ARG A 166 27.804 39.715 -12.040 1.00 2.45 H new ATOM 0 HH21 ARG A 166 28.736 38.077 -15.020 1.00 2.94 H new ATOM 0 HH22 ARG A 166 27.399 38.708 -14.053 1.00 2.94 H new