USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 862 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: B 32 SER OG : rot 170:sc= 1.32 USER MOD Set 1.2: B 78 HIS : no HE2:sc= 1.11 K(o=2.4,f=-6.4!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 166:sc= 1.75 (180deg=-0.265) USER MOD Set 2.2: B 29 TYR OH : rot 30:sc= 0.444 USER MOD Set 3.1: A 32 SER OG : rot -165:sc= 1.29 USER MOD Set 3.2: A 78 HIS : no HE2:sc= 1.09 K(o=2.4,f=-6.4!) USER MOD Set 4.1: A 29 TYR OH : rot 30:sc= 0.562 USER MOD Set 4.2: B 19 LYS NZ :NH3+ 168:sc= 1.72 (180deg=-0.313) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.05) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0785) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 141:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc= -2.43 K(o=-2.4,f=-3.3!) USER MOD Single : A 51 MET CE :methyl -156:sc= -1.43 (180deg=-4.38!) USER MOD Single : A 53 CYS SG : rot 61:sc= 1.19 USER MOD Single : A 55 SER OG : rot 75:sc= 1.02 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0406 (180deg=-0.223) USER MOD Single : A 72 SER OG : rot -85:sc= 0.48 USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 85 SER OG : rot 34:sc= 1.23 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ -157:sc= 1.21 (180deg=1.13) USER MOD Single : B 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0818) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 124:sc= 1.25 USER MOD Single : B 48 ASN : amide:sc= -2.47 K(o=-2.5,f=-3.3!) USER MOD Single : B 51 MET CE :methyl -157:sc= -1.41 (180deg=-4.42!) USER MOD Single : B 53 CYS SG : rot 84:sc= 1.22 USER MOD Single : B 55 SER OG : rot 77:sc= 1 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ -170:sc= -0.03 (180deg=-0.198) USER MOD Single : B 72 SER OG : rot -85:sc= 0.483 USER MOD Single : B 84 ASN :FLIP amide:sc=-0.00809 F(o=-1,f=-0.0081) USER MOD Single : B 85 SER OG : rot 32:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.575 -7.930 7.030 1.00 0.93 N ATOM 49 CA ALA A 17 -7.497 -7.280 6.306 1.00 0.81 C ATOM 50 C ALA A 17 -6.184 -7.527 7.031 1.00 0.69 C ATOM 51 O ALA A 17 -5.639 -6.633 7.687 1.00 0.70 O ATOM 52 CB ALA A 17 -7.766 -5.789 6.165 1.00 1.09 C ATOM 0 HA ALA A 17 -7.434 -7.700 5.302 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.946 -5.321 5.620 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.698 -5.637 5.620 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.847 -5.339 7.154 1.00 1.09 H new ATOM 58 N SER A 18 -5.693 -8.753 6.924 1.00 0.64 N ATOM 59 CA SER A 18 -4.488 -9.158 7.621 1.00 0.61 C ATOM 60 C SER A 18 -3.263 -8.520 6.977 1.00 0.50 C ATOM 61 O SER A 18 -3.305 -8.130 5.809 1.00 0.45 O ATOM 62 CB SER A 18 -4.365 -10.686 7.623 1.00 0.66 C ATOM 63 OG SER A 18 -3.255 -11.120 8.393 1.00 1.32 O ATOM 0 H SER A 18 -6.116 -9.487 6.356 1.00 0.64 H new ATOM 0 HA SER A 18 -4.549 -8.816 8.654 1.00 0.61 H new ATOM 0 HB2 SER A 18 -5.279 -11.125 8.023 1.00 0.66 H new ATOM 0 HB3 SER A 18 -4.261 -11.044 6.599 1.00 0.66 H new ATOM 0 HG SER A 18 -3.207 -12.099 8.375 1.00 1.32 H new ATOM 69 N LYS A 19 -2.184 -8.411 7.739 1.00 0.50 N ATOM 70 CA LYS A 19 -0.984 -7.716 7.286 1.00 0.43 C ATOM 71 C LYS A 19 -0.514 -8.234 5.929 1.00 0.34 C ATOM 72 O LYS A 19 -0.268 -7.451 5.005 1.00 0.28 O ATOM 73 CB LYS A 19 0.127 -7.868 8.324 1.00 0.54 C ATOM 74 CG LYS A 19 -0.271 -7.380 9.708 1.00 0.84 C ATOM 75 CD LYS A 19 0.900 -7.408 10.677 1.00 1.12 C ATOM 76 CE LYS A 19 1.978 -6.419 10.269 1.00 1.73 C ATOM 77 NZ LYS A 19 1.449 -5.034 10.183 1.00 2.10 N ATOM 0 H LYS A 19 -2.114 -8.797 8.680 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.229 -6.660 7.170 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.416 -8.917 8.386 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.005 -7.315 7.990 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.659 -6.364 9.637 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.077 -8.003 10.095 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.549 -7.173 11.682 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.321 -8.413 10.714 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.794 -6.453 10.990 1.00 1.73 H new ATOM 0 HE3 LYS A 19 2.393 -6.711 9.304 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 2.241 -4.362 10.138 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 0.865 -4.938 9.328 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.870 -4.831 11.023 1.00 2.10 H new ATOM 91 N GLU A 20 -0.424 -9.555 5.808 1.00 0.41 N ATOM 92 CA GLU A 20 0.029 -10.198 4.578 1.00 0.41 C ATOM 93 C GLU A 20 -0.864 -9.829 3.392 1.00 0.34 C ATOM 94 O GLU A 20 -0.379 -9.615 2.282 1.00 0.30 O ATOM 95 CB GLU A 20 0.056 -11.717 4.766 1.00 0.57 C ATOM 96 CG GLU A 20 -1.288 -12.303 5.171 1.00 0.64 C ATOM 97 CD GLU A 20 -1.218 -13.783 5.469 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.845 -14.147 6.604 1.00 1.49 O ATOM 99 OE2 GLU A 20 -1.555 -14.592 4.581 1.00 1.57 O ATOM 0 H GLU A 20 -0.662 -10.207 6.555 1.00 0.41 H new ATOM 0 HA GLU A 20 1.036 -9.841 4.360 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.382 -12.184 3.837 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.796 -11.968 5.526 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.658 -11.777 6.051 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.009 -12.132 4.372 1.00 0.64 H new ATOM 106 N GLU A 21 -2.166 -9.734 3.645 1.00 0.37 N ATOM 107 CA GLU A 21 -3.137 -9.438 2.599 1.00 0.39 C ATOM 108 C GLU A 21 -2.961 -8.010 2.101 1.00 0.32 C ATOM 109 O GLU A 21 -3.065 -7.733 0.906 1.00 0.34 O ATOM 110 CB GLU A 21 -4.558 -9.635 3.131 1.00 0.50 C ATOM 111 CG GLU A 21 -4.813 -11.020 3.708 1.00 0.61 C ATOM 112 CD GLU A 21 -6.231 -11.193 4.219 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.545 -10.675 5.307 1.00 1.49 O ATOM 114 OE2 GLU A 21 -7.036 -11.861 3.540 1.00 1.54 O ATOM 0 H GLU A 21 -2.574 -9.859 4.572 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.971 -10.122 1.766 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.754 -8.889 3.901 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.267 -9.452 2.323 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.614 -11.770 2.942 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.113 -11.203 4.523 1.00 0.61 H new ATOM 121 N ILE A 22 -2.685 -7.111 3.034 1.00 0.30 N ATOM 122 CA ILE A 22 -2.452 -5.710 2.714 1.00 0.28 C ATOM 123 C ILE A 22 -1.189 -5.560 1.877 1.00 0.24 C ATOM 124 O ILE A 22 -1.202 -4.936 0.815 1.00 0.26 O ATOM 125 CB ILE A 22 -2.308 -4.867 3.994 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.530 -5.063 4.891 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.128 -3.395 3.644 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.341 -4.531 6.292 1.00 0.44 C ATOM 0 H ILE A 22 -2.616 -7.330 4.028 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.313 -5.353 2.148 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.422 -5.199 4.536 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.388 -4.568 4.436 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.766 -6.126 4.943 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.028 -2.813 4.560 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.232 -3.273 3.036 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -2.996 -3.045 3.085 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.247 -4.704 6.872 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.504 -5.043 6.766 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.136 -3.461 6.250 1.00 0.44 H new ATOM 135 N ALA A 23 -0.103 -6.155 2.362 1.00 0.20 N ATOM 136 CA ALA A 23 1.184 -6.088 1.682 1.00 0.19 C ATOM 137 C ALA A 23 1.092 -6.663 0.278 1.00 0.20 C ATOM 138 O ALA A 23 1.759 -6.187 -0.642 1.00 0.20 O ATOM 139 CB ALA A 23 2.242 -6.827 2.483 1.00 0.20 C ATOM 0 H ALA A 23 -0.091 -6.692 3.229 1.00 0.20 H new ATOM 0 HA ALA A 23 1.469 -5.039 1.601 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.198 -6.769 1.963 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.336 -6.371 3.469 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.952 -7.872 2.593 1.00 0.20 H new ATOM 145 N ALA A 24 0.249 -7.676 0.123 1.00 0.22 N ATOM 146 CA ALA A 24 0.032 -8.312 -1.165 1.00 0.25 C ATOM 147 C ALA A 24 -0.444 -7.301 -2.204 1.00 0.24 C ATOM 148 O ALA A 24 0.054 -7.276 -3.327 1.00 0.25 O ATOM 149 CB ALA A 24 -0.972 -9.442 -1.024 1.00 0.31 C ATOM 0 H ALA A 24 -0.300 -8.076 0.884 1.00 0.22 H new ATOM 0 HA ALA A 24 0.981 -8.722 -1.509 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.128 -9.913 -1.994 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.591 -10.181 -0.319 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.918 -9.044 -0.657 1.00 0.31 H new ATOM 155 N LEU A 25 -1.395 -6.457 -1.822 1.00 0.23 N ATOM 156 CA LEU A 25 -1.897 -5.425 -2.723 1.00 0.23 C ATOM 157 C LEU A 25 -0.884 -4.303 -2.890 1.00 0.22 C ATOM 158 O LEU A 25 -0.772 -3.712 -3.966 1.00 0.25 O ATOM 159 CB LEU A 25 -3.212 -4.845 -2.215 1.00 0.26 C ATOM 160 CG LEU A 25 -4.448 -5.711 -2.442 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.663 -5.042 -1.828 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.667 -5.951 -3.930 1.00 0.44 C ATOM 0 H LEU A 25 -1.832 -6.466 -0.901 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.067 -5.898 -3.690 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.115 -4.655 -1.146 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.373 -3.881 -2.697 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.295 -6.677 -1.961 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.543 -5.664 -1.993 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.505 -4.913 -0.757 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.815 -4.068 -2.292 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.553 -6.570 -4.072 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.807 -4.996 -4.436 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.798 -6.459 -4.348 1.00 0.44 H new ATOM 174 N ILE A 26 -0.152 -4.010 -1.825 1.00 0.21 N ATOM 175 CA ILE A 26 0.857 -2.962 -1.860 1.00 0.22 C ATOM 176 C ILE A 26 1.940 -3.291 -2.885 1.00 0.20 C ATOM 177 O ILE A 26 2.261 -2.468 -3.747 1.00 0.23 O ATOM 178 CB ILE A 26 1.493 -2.746 -0.469 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.434 -2.255 0.526 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.646 -1.756 -0.560 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.957 -2.058 1.933 1.00 0.27 C ATOM 0 H ILE A 26 -0.238 -4.484 -0.926 1.00 0.21 H new ATOM 0 HA ILE A 26 0.360 -2.037 -2.154 1.00 0.22 H new ATOM 0 HB ILE A 26 1.888 -3.697 -0.112 1.00 0.22 H new ATOM 0 HG12 ILE A 26 0.022 -1.312 0.167 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.387 -2.972 0.551 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.083 -1.615 0.428 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.405 -2.143 -1.241 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.277 -0.801 -0.933 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.149 -1.710 2.576 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.342 -3.004 2.314 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.757 -1.318 1.923 1.00 0.27 H new ATOM 188 N VAL A 27 2.482 -4.503 -2.812 1.00 0.18 N ATOM 189 CA VAL A 27 3.496 -4.931 -3.767 1.00 0.20 C ATOM 190 C VAL A 27 2.875 -5.139 -5.145 1.00 0.22 C ATOM 191 O VAL A 27 3.533 -4.952 -6.167 1.00 0.24 O ATOM 192 CB VAL A 27 4.229 -6.219 -3.316 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.892 -6.011 -1.964 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.286 -7.412 -3.269 1.00 0.21 C ATOM 0 H VAL A 27 2.238 -5.200 -2.108 1.00 0.18 H new ATOM 0 HA VAL A 27 4.239 -4.135 -3.818 1.00 0.20 H new ATOM 0 HB VAL A 27 5.001 -6.435 -4.055 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.402 -6.927 -1.664 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.616 -5.199 -2.035 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.134 -5.758 -1.222 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.835 -8.297 -2.949 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.479 -7.211 -2.564 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.867 -7.584 -4.260 1.00 0.21 H new ATOM 198 N ASN A 28 1.594 -5.507 -5.160 1.00 0.26 N ATOM 199 CA ASN A 28 0.849 -5.671 -6.405 1.00 0.32 C ATOM 200 C ASN A 28 0.808 -4.365 -7.181 1.00 0.27 C ATOM 201 O ASN A 28 1.116 -4.331 -8.370 1.00 0.29 O ATOM 202 CB ASN A 28 -0.579 -6.150 -6.122 1.00 0.45 C ATOM 203 CG ASN A 28 -1.463 -6.137 -7.357 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.148 -5.150 -7.638 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.455 -7.232 -8.099 1.00 0.86 N ATOM 0 H ASN A 28 1.050 -5.698 -4.319 1.00 0.26 H new ATOM 0 HA ASN A 28 1.361 -6.423 -7.006 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.544 -7.161 -5.717 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.024 -5.515 -5.356 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.030 -7.282 -8.940 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.874 -8.026 -7.830 1.00 0.86 H new ATOM 212 N TYR A 29 0.441 -3.286 -6.499 1.00 0.25 N ATOM 213 CA TYR A 29 0.352 -1.987 -7.144 1.00 0.24 C ATOM 214 C TYR A 29 1.712 -1.546 -7.666 1.00 0.19 C ATOM 215 O TYR A 29 1.826 -1.109 -8.806 1.00 0.19 O ATOM 216 CB TYR A 29 -0.215 -0.927 -6.195 1.00 0.29 C ATOM 217 CG TYR A 29 -0.256 0.452 -6.815 1.00 0.32 C ATOM 218 CD1 TYR A 29 -0.959 0.684 -7.992 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.423 1.517 -6.238 1.00 1.23 C ATOM 220 CE1 TYR A 29 -0.980 1.934 -8.576 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.401 2.773 -6.815 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.299 2.976 -7.985 1.00 0.43 C ATOM 223 OH TYR A 29 -0.312 4.222 -8.570 1.00 0.50 O ATOM 0 H TYR A 29 0.202 -3.287 -5.507 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.332 -2.090 -7.987 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.222 -1.216 -5.895 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.391 -0.895 -5.289 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.498 -0.128 -8.457 1.00 1.20 H new ATOM 0 HD2 TYR A 29 0.977 1.362 -5.324 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.528 2.095 -9.493 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.930 3.592 -6.351 1.00 1.25 H new ATOM 0 HH TYR A 29 -1.153 4.345 -9.058 1.00 0.50 H new ATOM 233 N PHE A 30 2.742 -1.676 -6.841 1.00 0.16 N ATOM 234 CA PHE A 30 4.088 -1.279 -7.243 1.00 0.16 C ATOM 235 C PHE A 30 4.564 -2.101 -8.440 1.00 0.18 C ATOM 236 O PHE A 30 5.150 -1.560 -9.380 1.00 0.21 O ATOM 237 CB PHE A 30 5.073 -1.425 -6.084 1.00 0.19 C ATOM 238 CG PHE A 30 4.838 -0.485 -4.931 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.272 0.767 -5.125 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.208 -0.853 -3.647 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.081 1.626 -4.064 1.00 1.17 C ATOM 242 CE2 PHE A 30 5.015 0.005 -2.581 1.00 1.22 C ATOM 243 CZ PHE A 30 4.451 1.246 -2.791 1.00 0.25 C ATOM 0 H PHE A 30 2.674 -2.051 -5.895 1.00 0.16 H new ATOM 0 HA PHE A 30 4.049 -0.229 -7.534 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.027 -2.449 -5.714 1.00 0.19 H new ATOM 0 HB3 PHE A 30 6.083 -1.268 -6.462 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.978 1.072 -6.118 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.653 -1.822 -3.477 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.641 2.598 -4.230 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.305 -0.296 -1.585 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.299 1.919 -1.960 1.00 0.25 H new ATOM 253 N SER A 31 4.303 -3.404 -8.407 1.00 0.21 N ATOM 254 CA SER A 31 4.651 -4.282 -9.517 1.00 0.27 C ATOM 255 C SER A 31 3.851 -3.895 -10.758 1.00 0.25 C ATOM 256 O SER A 31 4.344 -3.978 -11.883 1.00 0.27 O ATOM 257 CB SER A 31 4.385 -5.747 -9.142 1.00 0.35 C ATOM 258 OG SER A 31 4.803 -6.636 -10.169 1.00 1.15 O ATOM 0 H SER A 31 3.851 -3.875 -7.623 1.00 0.21 H new ATOM 0 HA SER A 31 5.713 -4.171 -9.736 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.909 -5.987 -8.217 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.321 -5.886 -8.951 1.00 0.35 H new ATOM 0 HG SER A 31 4.620 -7.560 -9.897 1.00 1.15 H new ATOM 264 N SER A 32 2.621 -3.454 -10.536 1.00 0.27 N ATOM 265 CA SER A 32 1.749 -3.007 -11.610 1.00 0.30 C ATOM 266 C SER A 32 2.310 -1.747 -12.273 1.00 0.28 C ATOM 267 O SER A 32 2.277 -1.617 -13.497 1.00 0.35 O ATOM 268 CB SER A 32 0.347 -2.748 -11.048 1.00 0.40 C ATOM 269 OG SER A 32 -0.568 -2.349 -12.053 1.00 0.99 O ATOM 0 H SER A 32 2.201 -3.396 -9.608 1.00 0.27 H new ATOM 0 HA SER A 32 1.691 -3.784 -12.372 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.021 -3.652 -10.563 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.402 -1.975 -10.282 1.00 0.40 H new ATOM 0 HG SER A 32 -1.370 -1.973 -11.634 1.00 0.99 H new ATOM 275 N ILE A 33 2.848 -0.838 -11.459 1.00 0.24 N ATOM 276 CA ILE A 33 3.408 0.413 -11.965 1.00 0.26 C ATOM 277 C ILE A 33 4.538 0.142 -12.952 1.00 0.26 C ATOM 278 O ILE A 33 4.566 0.701 -14.050 1.00 0.31 O ATOM 279 CB ILE A 33 3.965 1.304 -10.833 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.927 1.527 -9.737 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.411 2.643 -11.398 1.00 0.43 C ATOM 282 CD1 ILE A 33 3.464 2.307 -8.557 1.00 0.34 C ATOM 0 H ILE A 33 2.907 -0.946 -10.446 1.00 0.24 H new ATOM 0 HA ILE A 33 2.588 0.935 -12.458 1.00 0.26 H new ATOM 0 HB ILE A 33 4.819 0.790 -10.392 1.00 0.30 H new ATOM 0 HG12 ILE A 33 2.073 2.058 -10.157 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.562 0.561 -9.390 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.802 3.265 -10.593 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.190 2.482 -12.144 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.561 3.143 -11.863 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.676 2.431 -7.814 1.00 0.34 H new ATOM 0 HD12 ILE A 33 4.300 1.766 -8.113 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.803 3.287 -8.893 1.00 0.34 H new ATOM 289 N VAL A 34 5.467 -0.720 -12.558 1.00 0.24 N ATOM 290 CA VAL A 34 6.619 -1.026 -13.396 1.00 0.31 C ATOM 291 C VAL A 34 6.222 -1.932 -14.557 1.00 0.37 C ATOM 292 O VAL A 34 6.847 -1.904 -15.614 1.00 0.47 O ATOM 293 CB VAL A 34 7.767 -1.679 -12.589 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.236 -0.750 -11.483 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.346 -3.021 -12.011 1.00 0.33 C ATOM 0 H VAL A 34 5.446 -1.217 -11.668 1.00 0.24 H new ATOM 0 HA VAL A 34 6.983 -0.077 -13.791 1.00 0.31 H new ATOM 0 HB VAL A 34 8.596 -1.855 -13.275 1.00 0.34 H new ATOM 0 HG11 VAL A 34 9.043 -1.226 -10.926 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.596 0.182 -11.919 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.406 -0.539 -10.809 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.175 -3.452 -11.450 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.494 -2.880 -11.347 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.067 -3.695 -12.821 1.00 0.33 H new ATOM 299 N GLU A 35 5.164 -2.712 -14.362 1.00 0.35 N ATOM 300 CA GLU A 35 4.680 -3.624 -15.391 1.00 0.46 C ATOM 301 C GLU A 35 4.166 -2.843 -16.595 1.00 0.50 C ATOM 302 O GLU A 35 4.500 -3.150 -17.739 1.00 0.61 O ATOM 303 CB GLU A 35 3.563 -4.507 -14.833 1.00 0.50 C ATOM 304 CG GLU A 35 3.224 -5.693 -15.716 1.00 0.70 C ATOM 305 CD GLU A 35 4.379 -6.661 -15.844 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.603 -7.447 -14.898 1.00 2.22 O ATOM 307 OE2 GLU A 35 5.067 -6.646 -16.885 1.00 2.19 O ATOM 0 H GLU A 35 4.624 -2.730 -13.497 1.00 0.35 H new ATOM 0 HA GLU A 35 5.509 -4.256 -15.708 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.857 -4.871 -13.848 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.668 -3.901 -14.695 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.360 -6.214 -15.305 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.940 -5.337 -16.706 1.00 0.70 H new ATOM 314 N LYS A 36 3.362 -1.822 -16.329 1.00 0.47 N ATOM 315 CA LYS A 36 2.796 -1.003 -17.392 1.00 0.54 C ATOM 316 C LYS A 36 3.738 0.145 -17.753 1.00 0.50 C ATOM 317 O LYS A 36 3.406 1.013 -18.561 1.00 0.60 O ATOM 318 CB LYS A 36 1.417 -0.467 -16.981 1.00 0.67 C ATOM 319 CG LYS A 36 1.446 0.446 -15.764 1.00 0.71 C ATOM 320 CD LYS A 36 0.049 0.713 -15.217 1.00 0.97 C ATOM 321 CE LYS A 36 -0.846 1.415 -16.229 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.365 2.786 -16.550 1.00 2.08 N ATOM 0 H LYS A 36 3.088 -1.542 -15.387 1.00 0.47 H new ATOM 0 HA LYS A 36 2.672 -1.628 -18.276 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.985 0.077 -17.821 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.758 -1.310 -16.775 1.00 0.67 H new ATOM 0 HG2 LYS A 36 2.060 -0.007 -14.985 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.917 1.392 -16.031 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.410 -0.231 -14.924 1.00 0.97 H new ATOM 0 HD3 LYS A 36 0.125 1.324 -14.317 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.890 0.824 -17.144 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.861 1.471 -15.836 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.073 3.274 -17.135 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -0.218 3.318 -15.668 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.533 2.726 -17.072 1.00 2.08 H new ATOM 336 N LYS A 37 4.923 0.119 -17.132 1.00 0.47 N ATOM 337 CA LYS A 37 5.981 1.101 -17.368 1.00 0.54 C ATOM 338 C LYS A 37 5.464 2.521 -17.141 1.00 0.59 C ATOM 339 O LYS A 37 5.597 3.396 -17.993 1.00 0.75 O ATOM 340 CB LYS A 37 6.546 0.945 -18.785 1.00 0.71 C ATOM 341 CG LYS A 37 7.905 1.598 -18.974 1.00 1.18 C ATOM 342 CD LYS A 37 8.429 1.395 -20.384 1.00 1.41 C ATOM 343 CE LYS A 37 9.856 1.904 -20.526 1.00 1.98 C ATOM 344 NZ LYS A 37 9.965 3.360 -20.239 1.00 2.60 N ATOM 0 H LYS A 37 5.174 -0.592 -16.445 1.00 0.47 H new ATOM 0 HA LYS A 37 6.786 0.920 -16.655 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.626 -0.116 -19.020 1.00 0.71 H new ATOM 0 HB3 LYS A 37 5.843 1.377 -19.497 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.830 2.665 -18.763 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.613 1.181 -18.258 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.392 0.336 -20.638 1.00 1.41 H new ATOM 0 HD3 LYS A 37 7.784 1.915 -21.092 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.506 1.352 -19.847 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.211 1.707 -21.538 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 10.932 3.683 -20.446 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.290 3.882 -20.834 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.749 3.533 -19.236 1.00 2.60 H new ATOM 358 N GLU A 38 4.876 2.738 -15.976 1.00 0.54 N ATOM 359 CA GLU A 38 4.249 4.010 -15.657 1.00 0.68 C ATOM 360 C GLU A 38 5.188 4.868 -14.820 1.00 0.69 C ATOM 361 O GLU A 38 4.978 6.069 -14.648 1.00 1.03 O ATOM 362 CB GLU A 38 2.941 3.752 -14.908 1.00 0.79 C ATOM 363 CG GLU A 38 2.158 5.002 -14.556 1.00 1.36 C ATOM 364 CD GLU A 38 0.868 4.679 -13.843 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.892 4.540 -12.606 1.00 1.86 O ATOM 366 OE2 GLU A 38 -0.175 4.547 -14.517 1.00 2.12 O ATOM 0 H GLU A 38 4.820 2.044 -15.231 1.00 0.54 H new ATOM 0 HA GLU A 38 4.032 4.550 -16.579 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.311 3.104 -15.517 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.164 3.209 -13.990 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.769 5.647 -13.925 1.00 1.36 H new ATOM 0 HG3 GLU A 38 1.939 5.561 -15.466 1.00 1.36 H new ATOM 373 N ILE A 39 6.232 4.242 -14.310 1.00 0.42 N ATOM 374 CA ILE A 39 7.179 4.932 -13.451 1.00 0.43 C ATOM 375 C ILE A 39 8.534 5.059 -14.139 1.00 0.48 C ATOM 376 O ILE A 39 8.888 4.243 -14.993 1.00 0.51 O ATOM 377 CB ILE A 39 7.329 4.198 -12.100 1.00 0.38 C ATOM 378 CG1 ILE A 39 8.112 5.051 -11.100 1.00 0.45 C ATOM 379 CG2 ILE A 39 8.001 2.844 -12.293 1.00 0.36 C ATOM 380 CD1 ILE A 39 8.123 4.479 -9.702 1.00 0.47 C ATOM 0 H ILE A 39 6.447 3.258 -14.475 1.00 0.42 H new ATOM 0 HA ILE A 39 6.793 5.933 -13.257 1.00 0.43 H new ATOM 0 HB ILE A 39 6.331 4.030 -11.695 1.00 0.38 H new ATOM 0 HG12 ILE A 39 9.139 5.156 -11.450 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.681 6.052 -11.072 1.00 0.45 H new ATOM 0 HG21 ILE A 39 8.097 2.344 -11.329 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.397 2.230 -12.961 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.991 2.987 -12.727 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.696 5.134 -9.045 1.00 0.47 H new ATOM 0 HD12 ILE A 39 7.100 4.399 -9.333 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.581 3.490 -9.717 1.00 0.47 H new ATOM 387 N SER A 40 9.271 6.101 -13.783 1.00 0.54 N ATOM 388 CA SER A 40 10.584 6.342 -14.346 1.00 0.62 C ATOM 389 C SER A 40 11.573 5.282 -13.868 1.00 0.53 C ATOM 390 O SER A 40 11.382 4.700 -12.797 1.00 0.48 O ATOM 391 CB SER A 40 11.055 7.740 -13.948 1.00 0.76 C ATOM 392 OG SER A 40 10.039 8.701 -14.204 1.00 1.82 O ATOM 0 H SER A 40 8.975 6.798 -13.099 1.00 0.54 H new ATOM 0 HA SER A 40 10.528 6.281 -15.433 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.318 7.754 -12.890 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.956 7.998 -14.504 1.00 0.76 H new ATOM 0 HG SER A 40 10.356 9.590 -13.942 1.00 1.82 H new ATOM 398 N GLU A 41 12.609 5.029 -14.662 1.00 0.59 N ATOM 399 CA GLU A 41 13.551 3.940 -14.397 1.00 0.60 C ATOM 400 C GLU A 41 14.068 3.960 -12.960 1.00 0.49 C ATOM 401 O GLU A 41 14.014 2.947 -12.258 1.00 0.46 O ATOM 402 CB GLU A 41 14.726 4.011 -15.372 1.00 0.78 C ATOM 403 CG GLU A 41 14.314 3.889 -16.829 1.00 1.07 C ATOM 404 CD GLU A 41 15.500 3.875 -17.769 1.00 1.43 C ATOM 405 OE1 GLU A 41 16.074 2.789 -17.990 1.00 2.19 O ATOM 406 OE2 GLU A 41 15.856 4.947 -18.303 1.00 1.99 O ATOM 0 H GLU A 41 12.821 5.567 -15.502 1.00 0.59 H new ATOM 0 HA GLU A 41 13.011 3.004 -14.539 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.250 4.956 -15.229 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.433 3.216 -15.135 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.737 2.974 -16.964 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.659 4.721 -17.089 1.00 1.07 H new ATOM 413 N ASP A 42 14.543 5.120 -12.520 1.00 0.52 N ATOM 414 CA ASP A 42 15.105 5.264 -11.178 1.00 0.52 C ATOM 415 C ASP A 42 14.077 4.928 -10.107 1.00 0.43 C ATOM 416 O ASP A 42 14.410 4.339 -9.077 1.00 0.47 O ATOM 417 CB ASP A 42 15.635 6.684 -10.965 1.00 0.62 C ATOM 418 CG ASP A 42 16.876 6.965 -11.784 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.743 7.327 -12.971 1.00 2.30 O ATOM 420 OD2 ASP A 42 17.995 6.818 -11.246 1.00 2.21 O ATOM 0 H ASP A 42 14.551 5.977 -13.073 1.00 0.52 H new ATOM 0 HA ASP A 42 15.932 4.559 -11.091 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.859 7.402 -11.229 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.859 6.831 -9.908 1.00 0.62 H new ATOM 425 N GLY A 43 12.829 5.295 -10.357 1.00 0.39 N ATOM 426 CA GLY A 43 11.763 4.977 -9.431 1.00 0.37 C ATOM 427 C GLY A 43 11.456 3.493 -9.415 1.00 0.34 C ATOM 428 O GLY A 43 11.148 2.929 -8.367 1.00 0.35 O ATOM 0 H GLY A 43 12.535 5.809 -11.188 1.00 0.39 H new ATOM 0 HA2 GLY A 43 12.043 5.301 -8.429 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.865 5.531 -9.706 1.00 0.37 H new ATOM 432 N ALA A 44 11.554 2.863 -10.580 1.00 0.33 N ATOM 433 CA ALA A 44 11.313 1.432 -10.706 1.00 0.33 C ATOM 434 C ALA A 44 12.321 0.641 -9.883 1.00 0.32 C ATOM 435 O ALA A 44 11.951 -0.242 -9.109 1.00 0.31 O ATOM 436 CB ALA A 44 11.373 1.012 -12.167 1.00 0.38 C ATOM 0 H ALA A 44 11.800 3.325 -11.455 1.00 0.33 H new ATOM 0 HA ALA A 44 10.316 1.217 -10.322 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.191 -0.060 -12.245 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.613 1.551 -12.732 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.358 1.243 -12.572 1.00 0.38 H new ATOM 442 N ASP A 45 13.598 0.980 -10.041 1.00 0.36 N ATOM 443 CA ASP A 45 14.665 0.328 -9.286 1.00 0.38 C ATOM 444 C ASP A 45 14.517 0.609 -7.797 1.00 0.36 C ATOM 445 O ASP A 45 14.861 -0.223 -6.957 1.00 0.37 O ATOM 446 CB ASP A 45 16.041 0.791 -9.771 1.00 0.48 C ATOM 447 CG ASP A 45 16.374 0.278 -11.157 1.00 1.11 C ATOM 448 OD1 ASP A 45 16.669 -0.926 -11.293 1.00 1.81 O ATOM 449 OD2 ASP A 45 16.349 1.077 -12.115 1.00 1.84 O ATOM 0 H ASP A 45 13.919 1.703 -10.685 1.00 0.36 H new ATOM 0 HA ASP A 45 14.583 -0.746 -9.452 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.073 1.881 -9.774 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.803 0.451 -9.069 1.00 0.48 H new ATOM 454 N SER A 46 13.991 1.783 -7.481 1.00 0.38 N ATOM 455 CA SER A 46 13.758 2.172 -6.100 1.00 0.41 C ATOM 456 C SER A 46 12.666 1.292 -5.490 1.00 0.36 C ATOM 457 O SER A 46 12.770 0.853 -4.345 1.00 0.39 O ATOM 458 CB SER A 46 13.363 3.652 -6.036 1.00 0.51 C ATOM 459 OG SER A 46 13.692 4.228 -4.785 1.00 0.98 O ATOM 0 H SER A 46 13.716 2.486 -8.167 1.00 0.38 H new ATOM 0 HA SER A 46 14.674 2.034 -5.525 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.868 4.198 -6.832 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.292 3.751 -6.212 1.00 0.51 H new ATOM 0 HG SER A 46 14.030 5.138 -4.922 1.00 0.98 H new ATOM 465 N LEU A 47 11.627 1.015 -6.274 1.00 0.32 N ATOM 466 CA LEU A 47 10.548 0.136 -5.836 1.00 0.30 C ATOM 467 C LEU A 47 11.045 -1.291 -5.655 1.00 0.27 C ATOM 468 O LEU A 47 10.529 -2.029 -4.820 1.00 0.29 O ATOM 469 CB LEU A 47 9.386 0.153 -6.834 1.00 0.30 C ATOM 470 CG LEU A 47 8.548 1.432 -6.848 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.476 1.351 -7.925 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.912 1.666 -5.485 1.00 0.41 C ATOM 0 H LEU A 47 11.510 1.387 -7.216 1.00 0.32 H new ATOM 0 HA LEU A 47 10.193 0.510 -4.876 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.787 -0.009 -7.835 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.729 -0.689 -6.614 1.00 0.30 H new ATOM 0 HG LEU A 47 9.204 2.273 -7.073 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.888 2.269 -7.923 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.948 1.225 -8.899 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.823 0.501 -7.726 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.319 2.580 -5.512 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.268 0.823 -5.235 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.693 1.762 -4.731 1.00 0.41 H new ATOM 484 N ASN A 48 12.047 -1.673 -6.438 1.00 0.26 N ATOM 485 CA ASN A 48 12.609 -3.018 -6.366 1.00 0.26 C ATOM 486 C ASN A 48 13.170 -3.302 -4.977 1.00 0.28 C ATOM 487 O ASN A 48 12.727 -4.236 -4.306 1.00 0.32 O ATOM 488 CB ASN A 48 13.705 -3.209 -7.419 1.00 0.28 C ATOM 489 CG ASN A 48 13.175 -3.230 -8.843 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.845 -2.772 -9.768 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.985 -3.780 -9.038 1.00 0.40 N ATOM 0 H ASN A 48 12.488 -1.069 -7.132 1.00 0.26 H new ATOM 0 HA ASN A 48 11.803 -3.723 -6.567 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.435 -2.406 -7.323 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.231 -4.143 -7.221 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.596 -3.834 -9.979 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.458 -4.149 -8.247 1.00 0.40 H new ATOM 498 N VAL A 49 14.126 -2.485 -4.539 1.00 0.27 N ATOM 499 CA VAL A 49 14.734 -2.668 -3.224 1.00 0.29 C ATOM 500 C VAL A 49 13.682 -2.532 -2.127 1.00 0.30 C ATOM 501 O VAL A 49 13.694 -3.270 -1.140 1.00 0.32 O ATOM 502 CB VAL A 49 15.903 -1.676 -2.968 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.442 -0.229 -3.051 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.556 -1.947 -1.618 1.00 0.36 C ATOM 0 H VAL A 49 14.494 -1.696 -5.071 1.00 0.27 H new ATOM 0 HA VAL A 49 15.152 -3.675 -3.204 1.00 0.29 H new ATOM 0 HB VAL A 49 16.642 -1.836 -3.754 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.288 0.433 -2.866 1.00 0.34 H new ATOM 0 HG12 VAL A 49 15.037 -0.032 -4.044 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.670 -0.049 -2.302 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.371 -1.241 -1.460 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.816 -1.830 -0.826 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.948 -2.964 -1.601 1.00 0.36 H new ATOM 508 N ALA A 50 12.749 -1.612 -2.329 1.00 0.30 N ATOM 509 CA ALA A 50 11.689 -1.369 -1.365 1.00 0.34 C ATOM 510 C ALA A 50 10.773 -2.579 -1.235 1.00 0.34 C ATOM 511 O ALA A 50 10.320 -2.908 -0.143 1.00 0.37 O ATOM 512 CB ALA A 50 10.883 -0.146 -1.771 1.00 0.37 C ATOM 0 H ALA A 50 12.706 -1.019 -3.158 1.00 0.30 H new ATOM 0 HA ALA A 50 12.151 -1.189 -0.394 1.00 0.34 H new ATOM 0 HB1 ALA A 50 10.092 0.027 -1.042 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.537 0.725 -1.809 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.441 -0.311 -2.754 1.00 0.37 H new ATOM 518 N MET A 51 10.525 -3.251 -2.349 1.00 0.34 N ATOM 519 CA MET A 51 9.555 -4.336 -2.386 1.00 0.39 C ATOM 520 C MET A 51 10.054 -5.567 -1.651 1.00 0.31 C ATOM 521 O MET A 51 9.279 -6.248 -0.978 1.00 0.30 O ATOM 522 CB MET A 51 9.208 -4.691 -3.822 1.00 0.52 C ATOM 523 CG MET A 51 7.989 -5.587 -3.937 1.00 0.62 C ATOM 524 SD MET A 51 7.366 -5.664 -5.620 1.00 0.65 S ATOM 525 CE MET A 51 7.218 -3.914 -5.950 1.00 0.41 C ATOM 0 H MET A 51 10.983 -3.064 -3.241 1.00 0.34 H new ATOM 0 HA MET A 51 8.658 -3.986 -1.876 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.031 -3.774 -4.384 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.061 -5.188 -4.283 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.244 -6.591 -3.599 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.204 -5.218 -3.277 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.479 -3.753 -6.735 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.903 -3.398 -5.043 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.182 -3.522 -6.274 1.00 0.41 H new ATOM 535 N ASP A 52 11.339 -5.862 -1.775 1.00 0.31 N ATOM 536 CA ASP A 52 11.915 -6.972 -1.030 1.00 0.32 C ATOM 537 C ASP A 52 11.911 -6.647 0.454 1.00 0.28 C ATOM 538 O ASP A 52 11.804 -7.536 1.294 1.00 0.30 O ATOM 539 CB ASP A 52 13.332 -7.299 -1.502 1.00 0.42 C ATOM 540 CG ASP A 52 13.351 -7.998 -2.848 1.00 1.16 C ATOM 541 OD1 ASP A 52 12.773 -9.106 -2.966 1.00 1.84 O ATOM 542 OD2 ASP A 52 13.944 -7.447 -3.793 1.00 1.99 O ATOM 0 H ASP A 52 11.994 -5.358 -2.374 1.00 0.31 H new ATOM 0 HA ASP A 52 11.303 -7.855 -1.211 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.911 -6.378 -1.567 1.00 0.42 H new ATOM 0 HB3 ASP A 52 13.821 -7.932 -0.761 1.00 0.42 H new ATOM 547 N CYS A 53 11.997 -5.358 0.766 1.00 0.27 N ATOM 548 CA CYS A 53 11.873 -4.896 2.141 1.00 0.27 C ATOM 549 C CYS A 53 10.435 -5.069 2.631 1.00 0.29 C ATOM 550 O CYS A 53 10.208 -5.485 3.764 1.00 0.36 O ATOM 551 CB CYS A 53 12.300 -3.432 2.253 1.00 0.36 C ATOM 552 SG CYS A 53 14.011 -3.122 1.759 1.00 1.05 S ATOM 0 H CYS A 53 12.152 -4.616 0.084 1.00 0.27 H new ATOM 0 HA CYS A 53 12.530 -5.497 2.769 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.639 -2.824 1.636 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.165 -3.103 3.284 1.00 0.36 H new ATOM 0 HG CYS A 53 14.170 -3.455 0.512 1.00 1.05 H new ATOM 558 N ILE A 54 9.466 -4.754 1.765 1.00 0.26 N ATOM 559 CA ILE A 54 8.054 -4.993 2.072 1.00 0.29 C ATOM 560 C ILE A 54 7.842 -6.472 2.371 1.00 0.30 C ATOM 561 O ILE A 54 7.241 -6.842 3.379 1.00 0.33 O ATOM 562 CB ILE A 54 7.122 -4.594 0.900 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.372 -3.148 0.456 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.662 -4.774 1.305 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.601 -2.747 -0.792 1.00 0.34 C ATOM 0 H ILE A 54 9.634 -4.335 0.850 1.00 0.26 H new ATOM 0 HA ILE A 54 7.803 -4.376 2.935 1.00 0.29 H new ATOM 0 HB ILE A 54 7.344 -5.248 0.057 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.102 -2.476 1.270 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.438 -3.013 0.272 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.016 -4.491 0.474 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.482 -5.817 1.565 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.443 -4.143 2.166 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.829 -1.711 -1.044 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.889 -3.394 -1.621 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.532 -2.848 -0.607 1.00 0.34 H new ATOM 572 N SER A 55 8.365 -7.307 1.483 1.00 0.30 N ATOM 573 CA SER A 55 8.265 -8.751 1.617 1.00 0.36 C ATOM 574 C SER A 55 8.905 -9.218 2.923 1.00 0.38 C ATOM 575 O SER A 55 8.330 -10.019 3.663 1.00 0.41 O ATOM 576 CB SER A 55 8.943 -9.421 0.420 1.00 0.40 C ATOM 577 OG SER A 55 8.440 -8.906 -0.806 1.00 0.80 O ATOM 0 H SER A 55 8.870 -7.001 0.651 1.00 0.30 H new ATOM 0 HA SER A 55 7.212 -9.033 1.639 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.020 -9.261 0.471 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.779 -10.498 0.461 1.00 0.40 H new ATOM 0 HG SER A 55 8.804 -8.009 -0.958 1.00 0.80 H new ATOM 583 N GLU A 56 10.085 -8.683 3.206 1.00 0.39 N ATOM 584 CA GLU A 56 10.835 -9.015 4.410 1.00 0.48 C ATOM 585 C GLU A 56 10.077 -8.593 5.667 1.00 0.43 C ATOM 586 O GLU A 56 10.037 -9.323 6.656 1.00 0.46 O ATOM 587 CB GLU A 56 12.198 -8.321 4.356 1.00 0.60 C ATOM 588 CG GLU A 56 13.094 -8.595 5.548 1.00 0.83 C ATOM 589 CD GLU A 56 14.448 -7.941 5.400 1.00 1.81 C ATOM 590 OE1 GLU A 56 15.345 -8.555 4.784 1.00 2.38 O ATOM 591 OE2 GLU A 56 14.627 -6.811 5.898 1.00 2.66 O ATOM 0 H GLU A 56 10.551 -8.004 2.604 1.00 0.39 H new ATOM 0 HA GLU A 56 10.971 -10.096 4.454 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.715 -8.635 3.450 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.040 -7.245 4.276 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.612 -8.230 6.455 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.222 -9.671 5.666 1.00 0.83 H new ATOM 598 N ALA A 57 9.466 -7.418 5.608 1.00 0.39 N ATOM 599 CA ALA A 57 8.762 -6.848 6.750 1.00 0.39 C ATOM 600 C ALA A 57 7.541 -7.675 7.144 1.00 0.33 C ATOM 601 O ALA A 57 7.183 -7.742 8.319 1.00 0.39 O ATOM 602 CB ALA A 57 8.349 -5.418 6.437 1.00 0.42 C ATOM 0 H ALA A 57 9.444 -6.835 4.772 1.00 0.39 H new ATOM 0 HA ALA A 57 9.445 -6.857 7.599 1.00 0.39 H new ATOM 0 HB1 ALA A 57 7.823 -4.996 7.293 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.236 -4.821 6.225 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.691 -5.411 5.568 1.00 0.42 H new ATOM 608 N PHE A 58 6.898 -8.293 6.165 1.00 0.29 N ATOM 609 CA PHE A 58 5.688 -9.066 6.426 1.00 0.28 C ATOM 610 C PHE A 58 5.965 -10.566 6.419 1.00 0.30 C ATOM 611 O PHE A 58 5.096 -11.371 6.761 1.00 0.38 O ATOM 612 CB PHE A 58 4.606 -8.723 5.404 1.00 0.26 C ATOM 613 CG PHE A 58 4.056 -7.333 5.550 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.782 -6.236 5.120 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.811 -7.127 6.113 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.277 -4.960 5.250 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.297 -5.852 6.246 1.00 1.22 C ATOM 618 CZ PHE A 58 3.032 -4.767 5.813 1.00 0.28 C ATOM 0 H PHE A 58 7.189 -8.276 5.188 1.00 0.29 H new ATOM 0 HA PHE A 58 5.335 -8.798 7.422 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.017 -8.838 4.401 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.790 -9.439 5.498 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.756 -6.381 4.677 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.233 -7.973 6.453 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.855 -4.113 4.912 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.323 -5.704 6.688 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.633 -3.768 5.915 1.00 0.28 H new ATOM 628 N GLY A 59 7.173 -10.937 6.022 1.00 0.34 N ATOM 629 CA GLY A 59 7.584 -12.326 6.077 1.00 0.39 C ATOM 630 C GLY A 59 7.062 -13.157 4.919 1.00 0.38 C ATOM 631 O GLY A 59 6.698 -14.320 5.103 1.00 0.43 O ATOM 0 H GLY A 59 7.880 -10.297 5.661 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.673 -12.375 6.087 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.237 -12.763 7.013 1.00 0.39 H new ATOM 635 N PHE A 60 7.032 -12.577 3.730 1.00 0.35 N ATOM 636 CA PHE A 60 6.605 -13.306 2.542 1.00 0.39 C ATOM 637 C PHE A 60 7.538 -12.991 1.380 1.00 0.40 C ATOM 638 O PHE A 60 8.465 -12.198 1.526 1.00 0.42 O ATOM 639 CB PHE A 60 5.148 -12.969 2.179 1.00 0.40 C ATOM 640 CG PHE A 60 4.947 -11.623 1.531 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.084 -10.457 2.262 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.613 -11.530 0.187 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.893 -9.222 1.667 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.420 -10.301 -0.411 1.00 1.20 C ATOM 645 CZ PHE A 60 4.561 -9.145 0.330 1.00 0.33 C ATOM 0 H PHE A 60 7.297 -11.607 3.560 1.00 0.35 H new ATOM 0 HA PHE A 60 6.653 -14.374 2.754 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.770 -13.739 1.507 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.544 -13.013 3.086 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.343 -10.511 3.309 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.503 -12.431 -0.398 1.00 1.22 H new ATOM 0 HE1 PHE A 60 5.004 -8.319 2.249 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.159 -10.244 -1.457 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.412 -8.182 -0.136 1.00 0.33 H new ATOM 655 N GLU A 61 7.306 -13.631 0.246 1.00 0.48 N ATOM 656 CA GLU A 61 8.117 -13.405 -0.943 1.00 0.55 C ATOM 657 C GLU A 61 7.250 -12.884 -2.083 1.00 0.50 C ATOM 658 O GLU A 61 6.049 -13.147 -2.133 1.00 0.48 O ATOM 659 CB GLU A 61 8.806 -14.705 -1.361 1.00 0.70 C ATOM 660 CG GLU A 61 9.758 -15.252 -0.310 1.00 0.81 C ATOM 661 CD GLU A 61 10.391 -16.561 -0.724 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.392 -16.533 -1.467 1.00 2.05 O ATOM 663 OE2 GLU A 61 9.888 -17.630 -0.312 1.00 2.33 O ATOM 0 H GLU A 61 6.559 -14.315 0.122 1.00 0.48 H new ATOM 0 HA GLU A 61 8.877 -12.658 -0.712 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.046 -15.456 -1.578 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.358 -14.534 -2.285 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.541 -14.519 -0.118 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.217 -15.394 0.626 1.00 0.81 H new ATOM 670 N ARG A 62 7.879 -12.158 -3.006 1.00 0.54 N ATOM 671 CA ARG A 62 7.182 -11.557 -4.145 1.00 0.53 C ATOM 672 C ARG A 62 6.526 -12.606 -5.035 1.00 0.53 C ATOM 673 O ARG A 62 5.651 -12.285 -5.835 1.00 0.64 O ATOM 674 CB ARG A 62 8.146 -10.707 -4.976 1.00 0.63 C ATOM 675 CG ARG A 62 8.477 -9.361 -4.352 1.00 1.40 C ATOM 676 CD ARG A 62 9.418 -8.554 -5.234 1.00 1.46 C ATOM 677 NE ARG A 62 10.817 -8.957 -5.080 1.00 2.25 N ATOM 678 CZ ARG A 62 11.641 -9.218 -6.093 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.196 -9.219 -7.344 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.916 -9.479 -5.848 1.00 3.67 N ATOM 0 H ARG A 62 8.881 -11.970 -2.987 1.00 0.54 H new ATOM 0 HA ARG A 62 6.394 -10.923 -3.738 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.071 -11.265 -5.124 1.00 0.63 H new ATOM 0 HB3 ARG A 62 7.712 -10.542 -5.962 1.00 0.63 H new ATOM 0 HG2 ARG A 62 7.558 -8.799 -4.189 1.00 1.40 H new ATOM 0 HG3 ARG A 62 8.935 -9.514 -3.375 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.123 -8.671 -6.277 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.320 -7.496 -4.991 1.00 1.46 H new ATOM 0 HE ARG A 62 11.185 -9.044 -4.133 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.215 -9.019 -7.536 1.00 2.13 H new ATOM 0 HH12 ARG A 62 11.836 -9.420 -8.113 1.00 2.13 H new ATOM 0 HH21 ARG A 62 13.261 -9.479 -4.888 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.553 -9.680 -6.619 1.00 3.67 H new ATOM 694 N GLU A 63 6.953 -13.853 -4.903 1.00 0.58 N ATOM 695 CA GLU A 63 6.391 -14.938 -5.694 1.00 0.64 C ATOM 696 C GLU A 63 5.171 -15.545 -5.002 1.00 0.63 C ATOM 697 O GLU A 63 4.504 -16.421 -5.555 1.00 0.75 O ATOM 698 CB GLU A 63 7.446 -16.016 -5.935 1.00 0.74 C ATOM 699 CG GLU A 63 8.697 -15.490 -6.617 1.00 1.70 C ATOM 700 CD GLU A 63 9.721 -16.572 -6.875 1.00 2.53 C ATOM 701 OE1 GLU A 63 10.520 -16.872 -5.963 1.00 3.20 O ATOM 702 OE2 GLU A 63 9.742 -17.120 -7.998 1.00 3.12 O ATOM 0 H GLU A 63 7.687 -14.139 -4.255 1.00 0.58 H new ATOM 0 HA GLU A 63 6.072 -14.529 -6.653 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.722 -16.464 -4.981 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.013 -16.808 -6.546 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.421 -15.024 -7.563 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.144 -14.713 -5.997 1.00 1.70 H new ATOM 709 N ALA A 64 4.876 -15.070 -3.796 1.00 0.55 N ATOM 710 CA ALA A 64 3.766 -15.600 -3.013 1.00 0.60 C ATOM 711 C ALA A 64 2.585 -14.635 -2.993 1.00 0.54 C ATOM 712 O ALA A 64 1.553 -14.916 -2.382 1.00 0.57 O ATOM 713 CB ALA A 64 4.220 -15.901 -1.595 1.00 0.67 C ATOM 0 H ALA A 64 5.391 -14.318 -3.339 1.00 0.55 H new ATOM 0 HA ALA A 64 3.435 -16.524 -3.487 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.382 -16.296 -1.021 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.023 -16.638 -1.619 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.581 -14.985 -1.127 1.00 0.67 H new ATOM 719 N VAL A 65 2.738 -13.503 -3.671 1.00 0.51 N ATOM 720 CA VAL A 65 1.704 -12.472 -3.687 1.00 0.47 C ATOM 721 C VAL A 65 0.388 -13.004 -4.265 1.00 0.53 C ATOM 722 O VAL A 65 -0.693 -12.687 -3.764 1.00 0.54 O ATOM 723 CB VAL A 65 2.167 -11.220 -4.474 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.618 -11.582 -5.878 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.070 -10.171 -4.532 1.00 0.50 C ATOM 0 H VAL A 65 3.568 -13.275 -4.218 1.00 0.51 H new ATOM 0 HA VAL A 65 1.528 -12.181 -2.651 1.00 0.47 H new ATOM 0 HB VAL A 65 3.019 -10.801 -3.939 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.936 -10.681 -6.402 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.451 -12.283 -5.823 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.791 -12.043 -6.418 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.424 -9.305 -5.090 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.193 -10.588 -5.027 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.804 -9.866 -3.520 1.00 0.50 H new ATOM 729 N SER A 66 0.487 -13.839 -5.292 1.00 0.63 N ATOM 730 CA SER A 66 -0.687 -14.409 -5.936 1.00 0.75 C ATOM 731 C SER A 66 -1.423 -15.352 -4.987 1.00 0.76 C ATOM 732 O SER A 66 -2.653 -15.411 -4.980 1.00 0.84 O ATOM 733 CB SER A 66 -0.270 -15.148 -7.205 1.00 0.89 C ATOM 734 OG SER A 66 0.522 -14.313 -8.033 1.00 1.63 O ATOM 0 H SER A 66 1.374 -14.137 -5.698 1.00 0.63 H new ATOM 0 HA SER A 66 -1.368 -13.600 -6.201 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.291 -16.045 -6.942 1.00 0.89 H new ATOM 0 HB3 SER A 66 -1.156 -15.474 -7.750 1.00 0.89 H new ATOM 0 HG SER A 66 0.781 -14.804 -8.840 1.00 1.63 H new ATOM 740 N GLY A 67 -0.659 -16.073 -4.173 1.00 0.73 N ATOM 741 CA GLY A 67 -1.246 -16.979 -3.208 1.00 0.75 C ATOM 742 C GLY A 67 -2.022 -16.243 -2.137 1.00 0.70 C ATOM 743 O GLY A 67 -3.075 -16.704 -1.695 1.00 0.76 O ATOM 0 H GLY A 67 0.361 -16.044 -4.166 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.909 -17.676 -3.721 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.459 -17.572 -2.742 1.00 0.75 H new ATOM 747 N ILE A 68 -1.504 -15.094 -1.726 1.00 0.63 N ATOM 748 CA ILE A 68 -2.167 -14.274 -0.722 1.00 0.59 C ATOM 749 C ILE A 68 -3.421 -13.624 -1.302 1.00 0.63 C ATOM 750 O ILE A 68 -4.497 -13.686 -0.705 1.00 0.71 O ATOM 751 CB ILE A 68 -1.229 -13.178 -0.174 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.063 -13.801 0.365 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.931 -12.383 0.919 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.080 -12.782 0.837 1.00 0.45 C ATOM 0 H ILE A 68 -0.626 -14.708 -2.073 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.445 -14.933 0.100 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.972 -12.500 -0.988 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.183 -14.466 1.193 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.513 -14.415 -0.415 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.259 -11.613 1.298 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.826 -11.914 0.510 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.211 -13.052 1.733 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.968 -13.297 1.205 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.356 -12.132 0.007 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.650 -12.183 1.640 1.00 0.45 H new ATOM 761 N LEU A 69 -3.282 -13.016 -2.477 1.00 0.62 N ATOM 762 CA LEU A 69 -4.402 -12.345 -3.132 1.00 0.67 C ATOM 763 C LEU A 69 -5.502 -13.335 -3.496 1.00 0.85 C ATOM 764 O LEU A 69 -6.685 -13.029 -3.379 1.00 1.14 O ATOM 765 CB LEU A 69 -3.930 -11.603 -4.384 1.00 0.62 C ATOM 766 CG LEU A 69 -3.009 -10.412 -4.122 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.549 -9.792 -5.431 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.715 -9.374 -3.264 1.00 0.45 C ATOM 0 H LEU A 69 -2.405 -12.974 -2.996 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.812 -11.622 -2.427 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.410 -12.309 -5.032 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.805 -11.253 -4.932 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.131 -10.770 -3.584 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.894 -8.946 -5.223 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.006 -10.535 -6.015 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.416 -9.449 -5.996 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.046 -8.532 -3.087 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.610 -9.024 -3.779 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.997 -9.821 -2.311 1.00 0.45 H new ATOM 780 N GLY A 70 -5.101 -14.525 -3.923 1.00 0.81 N ATOM 781 CA GLY A 70 -6.061 -15.547 -4.290 1.00 0.94 C ATOM 782 C GLY A 70 -6.883 -16.032 -3.113 1.00 0.99 C ATOM 783 O GLY A 70 -8.029 -16.453 -3.281 1.00 1.25 O ATOM 0 H GLY A 70 -4.124 -14.801 -4.022 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.729 -15.153 -5.056 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.533 -16.392 -4.732 1.00 0.94 H new ATOM 787 N LYS A 71 -6.302 -15.979 -1.920 1.00 0.87 N ATOM 788 CA LYS A 71 -6.983 -16.441 -0.717 1.00 0.98 C ATOM 789 C LYS A 71 -7.830 -15.324 -0.109 1.00 0.99 C ATOM 790 O LYS A 71 -8.894 -15.575 0.458 1.00 1.26 O ATOM 791 CB LYS A 71 -5.960 -16.943 0.308 1.00 1.11 C ATOM 792 CG LYS A 71 -6.583 -17.563 1.550 1.00 1.69 C ATOM 793 CD LYS A 71 -7.344 -18.839 1.221 1.00 2.11 C ATOM 794 CE LYS A 71 -8.023 -19.422 2.452 1.00 2.60 C ATOM 795 NZ LYS A 71 -7.054 -19.703 3.542 1.00 3.16 N ATOM 0 H LYS A 71 -5.361 -15.621 -1.760 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.645 -17.262 -0.992 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -5.314 -17.680 -0.169 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.324 -16.111 0.610 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.802 -17.783 2.278 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -7.259 -16.846 2.015 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -8.093 -18.630 0.457 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -6.658 -19.574 0.801 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -8.781 -18.726 2.811 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -8.539 -20.343 2.179 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -7.519 -20.265 4.283 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -6.246 -20.234 3.160 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -6.718 -18.806 3.947 1.00 3.16 H new ATOM 809 N SER A 72 -7.358 -14.097 -0.240 1.00 0.92 N ATOM 810 CA SER A 72 -8.036 -12.944 0.333 1.00 1.08 C ATOM 811 C SER A 72 -9.164 -12.460 -0.577 1.00 1.04 C ATOM 812 O SER A 72 -9.348 -12.968 -1.685 1.00 1.21 O ATOM 813 CB SER A 72 -7.020 -11.823 0.550 1.00 1.30 C ATOM 814 OG SER A 72 -6.271 -11.581 -0.628 1.00 2.02 O ATOM 0 H SER A 72 -6.500 -13.871 -0.743 1.00 0.92 H new ATOM 0 HA SER A 72 -8.478 -13.234 1.286 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.537 -10.912 0.850 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.347 -12.090 1.365 1.00 1.30 H new ATOM 0 HG SER A 72 -5.513 -12.201 -0.667 1.00 2.02 H new ATOM 820 N GLU A 73 -9.914 -11.468 -0.105 1.00 1.13 N ATOM 821 CA GLU A 73 -10.976 -10.869 -0.903 1.00 1.31 C ATOM 822 C GLU A 73 -10.412 -9.785 -1.806 1.00 1.26 C ATOM 823 O GLU A 73 -11.109 -8.840 -2.178 1.00 1.87 O ATOM 824 CB GLU A 73 -12.065 -10.270 -0.015 1.00 1.67 C ATOM 825 CG GLU A 73 -12.887 -11.299 0.735 1.00 1.87 C ATOM 826 CD GLU A 73 -14.077 -10.673 1.421 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.944 -10.239 2.581 1.00 2.46 O ATOM 828 OE2 GLU A 73 -15.156 -10.592 0.793 1.00 2.64 O ATOM 0 H GLU A 73 -9.805 -11.063 0.825 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.416 -11.659 -1.511 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.602 -9.596 0.705 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.732 -9.668 -0.632 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -13.230 -12.067 0.041 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -12.260 -11.796 1.476 1.00 1.87 H new ATOM 835 N PHE A 74 -9.145 -9.920 -2.151 1.00 1.04 N ATOM 836 CA PHE A 74 -8.485 -8.966 -3.016 1.00 1.02 C ATOM 837 C PHE A 74 -8.142 -9.630 -4.338 1.00 1.08 C ATOM 838 O PHE A 74 -7.471 -9.051 -5.193 1.00 1.45 O ATOM 839 CB PHE A 74 -7.233 -8.422 -2.330 1.00 0.94 C ATOM 840 CG PHE A 74 -7.520 -7.854 -0.968 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.465 -6.854 -0.809 1.00 1.61 C ATOM 842 CD2 PHE A 74 -6.854 -8.322 0.153 1.00 1.18 C ATOM 843 CE1 PHE A 74 -8.741 -6.333 0.438 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.127 -7.803 1.405 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.071 -6.809 1.546 1.00 1.19 C ATOM 0 H PHE A 74 -8.550 -10.689 -1.841 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.152 -8.128 -3.216 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.497 -9.221 -2.239 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -6.788 -7.648 -2.956 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -8.993 -6.477 -1.673 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.113 -9.101 0.048 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.481 -5.554 0.547 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.601 -8.176 2.271 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.286 -6.403 2.523 1.00 1.19 H new ATOM 901 N HIS A 78 -7.443 -4.628 -8.213 1.00 0.88 N ATOM 902 CA HIS A 78 -6.272 -3.770 -8.260 1.00 0.85 C ATOM 903 C HIS A 78 -6.357 -2.785 -7.097 1.00 0.69 C ATOM 904 O HIS A 78 -7.397 -2.162 -6.903 1.00 0.68 O ATOM 905 CB HIS A 78 -6.229 -3.034 -9.607 1.00 1.02 C ATOM 906 CG HIS A 78 -4.900 -2.424 -9.952 1.00 1.16 C ATOM 907 ND1 HIS A 78 -4.737 -1.085 -10.229 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.678 -2.988 -10.113 1.00 1.41 C ATOM 909 CE1 HIS A 78 -3.477 -0.852 -10.549 1.00 1.96 C ATOM 910 NE2 HIS A 78 -2.809 -1.989 -10.488 1.00 1.85 N ATOM 0 HA HIS A 78 -5.357 -4.356 -8.169 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.507 -3.733 -10.396 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -6.983 -2.247 -9.599 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -5.475 -0.382 -10.193 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -3.432 -4.030 -9.973 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -3.062 0.109 -10.816 1.00 1.96 H new ATOM 919 N LEU A 79 -5.276 -2.668 -6.321 1.00 0.60 N ATOM 920 CA LEU A 79 -5.276 -1.885 -5.072 1.00 0.46 C ATOM 921 C LEU A 79 -5.990 -0.536 -5.210 1.00 0.44 C ATOM 922 O LEU A 79 -6.863 -0.207 -4.408 1.00 0.42 O ATOM 923 CB LEU A 79 -3.840 -1.655 -4.588 1.00 0.44 C ATOM 924 CG LEU A 79 -3.700 -0.749 -3.357 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.389 -1.361 -2.145 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.233 -0.484 -3.054 1.00 0.41 C ATOM 0 H LEU A 79 -4.381 -3.108 -6.534 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.830 -2.473 -4.340 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.392 -2.622 -4.360 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.264 -1.221 -5.405 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.188 0.200 -3.581 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.274 -0.698 -1.288 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.449 -1.497 -2.359 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.938 -2.327 -1.919 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.153 0.160 -2.178 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.726 -1.429 -2.857 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.768 0.007 -3.909 1.00 0.41 H new ATOM 938 N ALA A 80 -5.630 0.227 -6.231 1.00 0.50 N ATOM 939 CA ALA A 80 -6.158 1.577 -6.401 1.00 0.54 C ATOM 940 C ALA A 80 -7.665 1.585 -6.641 1.00 0.58 C ATOM 941 O ALA A 80 -8.350 2.528 -6.255 1.00 0.61 O ATOM 942 CB ALA A 80 -5.441 2.278 -7.535 1.00 0.63 C ATOM 0 H ALA A 80 -4.974 -0.064 -6.956 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.979 2.115 -5.470 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.843 3.284 -7.653 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.376 2.337 -7.311 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.587 1.718 -8.459 1.00 0.63 H new ATOM 948 N ASP A 81 -8.180 0.532 -7.268 1.00 0.64 N ATOM 949 CA ASP A 81 -9.617 0.414 -7.511 1.00 0.70 C ATOM 950 C ASP A 81 -10.355 0.353 -6.180 1.00 0.60 C ATOM 951 O ASP A 81 -11.397 0.981 -5.996 1.00 0.67 O ATOM 952 CB ASP A 81 -9.917 -0.843 -8.335 1.00 0.78 C ATOM 953 CG ASP A 81 -11.382 -0.965 -8.713 1.00 1.52 C ATOM 954 OD1 ASP A 81 -12.154 -1.574 -7.946 1.00 2.30 O ATOM 955 OD2 ASP A 81 -11.764 -0.457 -9.791 1.00 2.06 O ATOM 0 H ASP A 81 -7.627 -0.251 -7.617 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.955 1.285 -8.072 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.313 -0.830 -9.242 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.619 -1.724 -7.766 1.00 0.78 H new ATOM 960 N ILE A 82 -9.768 -0.391 -5.252 1.00 0.50 N ATOM 961 CA ILE A 82 -10.288 -0.518 -3.898 1.00 0.45 C ATOM 962 C ILE A 82 -10.279 0.831 -3.184 1.00 0.48 C ATOM 963 O ILE A 82 -11.232 1.191 -2.487 1.00 0.61 O ATOM 964 CB ILE A 82 -9.450 -1.539 -3.099 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.719 -2.955 -3.616 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.729 -1.436 -1.607 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.859 -4.012 -2.962 1.00 0.61 C ATOM 0 H ILE A 82 -8.915 -0.925 -5.418 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.318 -0.870 -3.961 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.394 -1.310 -3.246 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.768 -3.200 -3.451 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.552 -2.977 -4.693 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.124 -2.168 -1.072 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.479 -0.434 -1.258 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.785 -1.632 -1.420 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.105 -4.989 -3.378 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.808 -3.792 -3.148 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.044 -4.018 -1.888 1.00 0.61 H new ATOM 974 N LEU A 83 -9.208 1.580 -3.372 1.00 0.44 N ATOM 975 CA LEU A 83 -9.081 2.891 -2.757 1.00 0.52 C ATOM 976 C LEU A 83 -10.026 3.892 -3.415 1.00 0.69 C ATOM 977 O LEU A 83 -10.529 4.804 -2.765 1.00 0.83 O ATOM 978 CB LEU A 83 -7.634 3.386 -2.835 1.00 0.47 C ATOM 979 CG LEU A 83 -6.711 2.917 -1.701 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.620 1.399 -1.649 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.328 3.526 -1.863 1.00 0.42 C ATOM 0 H LEU A 83 -8.412 1.304 -3.946 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.357 2.801 -1.706 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.208 3.061 -3.784 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.642 4.476 -2.846 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.140 3.256 -0.758 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -5.959 1.102 -0.835 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.612 0.981 -1.481 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.224 1.026 -2.593 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.683 3.186 -1.053 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.904 3.217 -2.818 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.403 4.613 -1.834 1.00 0.42 H new ATOM 993 N ASN A 84 -10.285 3.704 -4.702 1.00 0.74 N ATOM 994 CA ASN A 84 -11.176 4.595 -5.436 1.00 0.94 C ATOM 995 C ASN A 84 -12.618 4.431 -4.963 1.00 0.97 C ATOM 996 O ASN A 84 -13.402 5.375 -5.004 1.00 1.15 O ATOM 997 CB ASN A 84 -11.087 4.333 -6.943 1.00 1.04 C ATOM 998 CG ASN A 84 -11.834 5.371 -7.768 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.826 6.617 -7.319 1.00 1.83 O flip ATOM 1000 ND2 ASN A 84 -12.397 5.060 -8.815 1.00 1.79 N flip ATOM 0 H ASN A 84 -9.892 2.945 -5.259 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.859 5.619 -5.240 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -10.039 4.322 -7.244 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -11.491 3.344 -7.160 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -12.384 4.091 -9.133 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -12.877 5.771 -9.367 1.00 1.79 H new ATOM 1007 N SER A 85 -12.961 3.229 -4.507 1.00 0.87 N ATOM 1008 CA SER A 85 -14.301 2.962 -3.996 1.00 0.93 C ATOM 1009 C SER A 85 -14.498 3.531 -2.590 1.00 0.91 C ATOM 1010 O SER A 85 -15.605 3.507 -2.052 1.00 1.01 O ATOM 1011 CB SER A 85 -14.619 1.464 -4.037 1.00 0.98 C ATOM 1012 OG SER A 85 -13.484 0.675 -3.722 1.00 1.50 O ATOM 0 H SER A 85 -12.331 2.427 -4.481 1.00 0.87 H new ATOM 0 HA SER A 85 -15.005 3.474 -4.652 1.00 0.93 H new ATOM 0 HB2 SER A 85 -15.421 1.244 -3.333 1.00 0.98 H new ATOM 0 HB3 SER A 85 -14.983 1.197 -5.029 1.00 0.98 H new ATOM 0 HG SER A 85 -12.931 1.145 -3.063 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.421 4.020 -1.988 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.506 4.654 -0.680 1.00 0.95 C ATOM 1020 C ALA A 86 -14.084 6.062 -0.810 1.00 1.14 C ATOM 1021 O ALA A 86 -14.109 6.634 -1.903 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.136 4.697 -0.021 1.00 1.09 C ATOM 0 H ALA A 86 -12.481 3.990 -2.384 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.172 4.064 -0.050 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.217 5.174 0.956 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -11.759 3.682 0.101 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.449 5.266 -0.647 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.268 7.926 -7.402 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.223 7.267 -6.644 1.00 0.81 C ATOM 1164 C ALA B 17 -5.884 7.500 -7.325 1.00 0.69 C ATOM 1165 O ALA B 17 -5.326 6.606 -7.964 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.511 5.778 -6.513 1.00 1.09 C ATOM 0 HA ALA B 17 -7.190 7.688 -5.639 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.715 5.302 -5.941 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.462 5.635 -6.000 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.563 5.329 -7.505 1.00 1.09 H new ATOM 1172 N SER B 18 -5.385 8.720 -7.201 1.00 0.64 N ATOM 1173 CA SER B 18 -4.153 9.113 -7.856 1.00 0.61 C ATOM 1174 C SER B 18 -2.955 8.464 -7.174 1.00 0.50 C ATOM 1175 O SER B 18 -3.040 8.080 -6.004 1.00 0.45 O ATOM 1176 CB SER B 18 -4.014 10.641 -7.855 1.00 0.67 C ATOM 1177 OG SER B 18 -2.879 11.064 -8.593 1.00 1.33 O ATOM 0 H SER B 18 -5.820 9.458 -6.648 1.00 0.64 H new ATOM 0 HA SER B 18 -4.184 8.770 -8.890 1.00 0.61 H new ATOM 0 HB2 SER B 18 -4.912 11.089 -8.280 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.935 10.999 -6.828 1.00 0.67 H new ATOM 0 HG SER B 18 -2.822 12.042 -8.573 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.854 8.343 -7.900 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.677 7.637 -7.409 1.00 0.43 C ATOM 1185 C LYS B 19 -0.247 8.150 -6.036 1.00 0.35 C ATOM 1186 O LYS B 19 -0.040 7.362 -5.107 1.00 0.28 O ATOM 1187 CB LYS B 19 0.470 7.777 -8.409 1.00 0.54 C ATOM 1188 CG LYS B 19 0.116 7.292 -9.805 1.00 0.85 C ATOM 1189 CD LYS B 19 1.321 7.308 -10.730 1.00 1.13 C ATOM 1190 CE LYS B 19 2.374 6.305 -10.285 1.00 1.74 C ATOM 1191 NZ LYS B 19 1.824 4.925 -10.220 1.00 2.10 N ATOM 0 H LYS B 19 -1.750 8.728 -8.839 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.937 6.584 -7.302 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.771 8.823 -8.461 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.330 7.216 -8.045 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.285 6.280 -9.747 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.670 7.923 -10.221 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.004 7.078 -11.747 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.754 8.308 -10.749 1.00 1.13 H new ATOM 0 HE2 LYS B 19 3.216 6.329 -10.977 1.00 1.74 H new ATOM 0 HE3 LYS B 19 2.758 6.591 -9.306 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 2.604 4.245 -10.114 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.182 4.845 -9.406 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 1.301 4.718 -11.095 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.146 9.469 -5.912 1.00 0.41 N ATOM 1206 CA GLU B 20 0.272 10.106 -4.666 1.00 0.42 C ATOM 1207 C GLU B 20 -0.664 9.747 -3.510 1.00 0.34 C ATOM 1208 O GLU B 20 -0.218 9.529 -2.385 1.00 0.30 O ATOM 1209 CB GLU B 20 0.322 11.625 -4.848 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.002 12.224 -5.297 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.906 13.700 -5.602 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.479 14.047 -6.724 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -1.280 14.519 -4.740 1.00 1.58 O ATOM 0 H GLU B 20 -0.350 10.124 -6.667 1.00 0.41 H new ATOM 0 HA GLU B 20 1.267 9.736 -4.417 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.620 12.087 -3.907 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.090 11.870 -5.581 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.351 11.697 -6.185 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.749 12.067 -4.519 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.958 9.665 -3.806 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.965 9.380 -2.794 1.00 0.39 C ATOM 1222 C GLU B 21 -2.820 7.949 -2.289 1.00 0.32 C ATOM 1223 O GLU B 21 -2.963 7.674 -1.096 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.366 9.590 -3.372 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.589 10.976 -3.956 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.988 11.160 -4.520 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.263 10.653 -5.624 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -6.815 11.835 -3.871 1.00 1.54 O ATOM 0 H GLU B 21 -2.334 9.793 -4.746 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.820 10.063 -1.957 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.543 8.846 -4.149 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.102 9.414 -2.588 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.413 11.724 -3.183 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.858 11.155 -4.745 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.523 7.047 -3.213 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.317 5.644 -2.886 1.00 0.29 C ATOM 1237 C ILE B 22 -1.083 5.481 -2.009 1.00 0.24 C ATOM 1238 O ILE B 22 -1.139 4.857 -0.947 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.140 4.801 -4.161 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.330 5.008 -5.097 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -1.986 3.326 -3.806 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.098 4.474 -6.489 1.00 0.44 C ATOM 0 H ILE B 22 -2.419 7.265 -4.204 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.199 5.296 -2.349 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.234 5.125 -4.674 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.207 4.521 -4.671 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.554 6.073 -5.157 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -1.862 2.743 -4.719 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.111 3.194 -3.169 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.875 2.985 -3.276 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -3.982 4.654 -7.100 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.240 4.979 -6.934 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -2.903 3.403 -6.440 1.00 0.44 H new ATOM 1249 N ALA B 23 0.023 6.065 -2.457 1.00 0.20 N ATOM 1250 CA ALA B 23 1.287 5.985 -1.734 1.00 0.19 C ATOM 1251 C ALA B 23 1.152 6.560 -0.333 1.00 0.20 C ATOM 1252 O ALA B 23 1.781 6.077 0.608 1.00 0.20 O ATOM 1253 CB ALA B 23 2.378 6.713 -2.499 1.00 0.20 C ATOM 0 H ALA B 23 0.069 6.602 -3.323 1.00 0.20 H new ATOM 0 HA ALA B 23 1.560 4.934 -1.644 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.316 6.645 -1.948 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.500 6.256 -3.481 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.102 7.761 -2.618 1.00 0.20 H new ATOM 1259 N ALA B 24 0.316 7.584 -0.206 1.00 0.22 N ATOM 1260 CA ALA B 24 0.062 8.221 1.074 1.00 0.25 C ATOM 1261 C ALA B 24 -0.458 7.215 2.096 1.00 0.23 C ATOM 1262 O ALA B 24 0.002 7.182 3.232 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.924 9.362 0.901 1.00 0.31 C ATOM 0 H ALA B 24 -0.201 7.992 -0.985 1.00 0.22 H new ATOM 0 HA ALA B 24 1.004 8.621 1.450 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.108 9.833 1.866 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.512 10.098 0.211 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.862 8.975 0.501 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.408 6.384 1.683 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.948 5.355 2.566 1.00 0.23 C ATOM 1271 C LEU B 25 -0.952 4.223 2.768 1.00 0.22 C ATOM 1272 O LEU B 25 -0.884 3.629 3.845 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.250 4.789 2.014 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.484 5.667 2.199 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.685 5.011 1.546 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.749 5.910 3.679 1.00 0.43 C ATOM 0 H LEU B 25 -1.818 6.401 0.749 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.144 5.828 3.528 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.119 4.598 0.949 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.437 3.826 2.490 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.305 6.631 1.722 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.563 5.643 1.681 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.493 4.879 0.481 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.863 4.039 2.005 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.633 6.538 3.792 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.915 4.956 4.180 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.889 6.410 4.125 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.188 3.922 1.726 1.00 0.20 N ATOM 1289 CA ILE B 26 0.809 2.863 1.794 1.00 0.21 C ATOM 1290 C ILE B 26 1.860 3.181 2.857 1.00 0.20 C ATOM 1291 O ILE B 26 2.144 2.353 3.728 1.00 0.22 O ATOM 1292 CB ILE B 26 1.488 2.640 0.426 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.458 2.160 -0.603 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.627 1.638 0.554 1.00 0.24 C ATOM 1295 CD1 ILE B 26 1.026 1.958 -1.993 1.00 0.27 C ATOM 0 H ILE B 26 -0.240 4.396 0.824 1.00 0.20 H new ATOM 0 HA ILE B 26 0.294 1.943 2.070 1.00 0.21 H new ATOM 0 HB ILE B 26 1.905 3.587 0.083 1.00 0.22 H new ATOM 0 HG12 ILE B 26 0.025 1.221 -0.258 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.354 2.885 -0.655 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.095 1.492 -0.420 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.367 2.016 1.259 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.236 0.687 0.914 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.236 1.618 -2.663 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.433 2.900 -2.360 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.818 1.210 -1.957 1.00 0.27 H new ATOM 1302 N VAL B 27 2.417 4.387 2.802 1.00 0.18 N ATOM 1303 CA VAL B 27 3.403 4.804 3.790 1.00 0.20 C ATOM 1304 C VAL B 27 2.738 5.019 5.147 1.00 0.22 C ATOM 1305 O VAL B 27 3.360 4.824 6.191 1.00 0.23 O ATOM 1306 CB VAL B 27 4.164 6.084 3.365 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.868 5.870 2.036 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.234 7.287 3.286 1.00 0.21 C ATOM 0 H VAL B 27 2.204 5.086 2.090 1.00 0.18 H new ATOM 0 HA VAL B 27 4.136 4.000 3.865 1.00 0.20 H new ATOM 0 HB VAL B 27 4.913 6.292 4.129 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.397 6.780 1.754 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.580 5.050 2.129 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.132 5.626 1.270 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.802 8.167 2.985 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.450 7.093 2.554 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.783 7.463 4.263 1.00 0.21 H new ATOM 1312 N ASN B 28 1.461 5.401 5.119 1.00 0.25 N ATOM 1313 CA ASN B 28 0.677 5.574 6.339 1.00 0.32 C ATOM 1314 C ASN B 28 0.597 4.268 7.112 1.00 0.27 C ATOM 1315 O ASN B 28 0.863 4.233 8.313 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.736 6.065 6.006 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.661 6.065 7.211 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.365 5.083 7.470 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.671 7.161 7.949 1.00 0.86 N ATOM 0 H ASN B 28 0.947 5.597 4.260 1.00 0.25 H new ATOM 0 HA ASN B 28 1.175 6.321 6.957 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.678 7.074 5.599 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.161 5.431 5.228 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.276 7.219 8.768 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -1.074 7.949 7.700 1.00 0.86 H new ATOM 1326 N TYR B 29 0.241 3.192 6.419 1.00 0.25 N ATOM 1327 CA TYR B 29 0.116 1.894 7.061 1.00 0.24 C ATOM 1328 C TYR B 29 1.454 1.439 7.628 1.00 0.18 C ATOM 1329 O TYR B 29 1.525 1.001 8.773 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.429 0.841 6.092 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.505 -0.540 6.710 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.250 -0.764 7.862 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.182 -1.613 6.156 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.304 -2.014 8.446 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.127 -2.868 6.732 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.614 -3.063 7.878 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.659 -4.310 8.463 1.00 0.49 O ATOM 0 H TYR B 29 0.036 3.195 5.420 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.594 2.003 7.880 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.423 1.140 5.758 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.207 0.804 5.207 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.796 0.054 8.308 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.768 -1.464 5.261 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -1.884 -2.169 9.344 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.663 -3.693 6.286 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.517 -4.425 8.923 1.00 0.49 H new ATOM 1347 N PHE B 30 2.513 1.558 6.836 1.00 0.16 N ATOM 1348 CA PHE B 30 3.840 1.147 7.283 1.00 0.16 C ATOM 1349 C PHE B 30 4.284 1.963 8.495 1.00 0.18 C ATOM 1350 O PHE B 30 4.824 1.413 9.457 1.00 0.21 O ATOM 1351 CB PHE B 30 4.865 1.283 6.156 1.00 0.19 C ATOM 1352 CG PHE B 30 4.659 0.345 4.996 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.074 -0.901 5.172 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.076 0.708 3.727 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.909 -1.759 4.104 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.908 -0.148 2.655 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.325 -1.382 2.845 1.00 0.25 C ATOM 0 H PHE B 30 2.481 1.933 5.888 1.00 0.16 H new ATOM 0 HA PHE B 30 3.780 0.098 7.572 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.842 2.308 5.785 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.860 1.116 6.568 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.744 -1.202 6.155 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.538 1.672 3.573 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.454 -2.727 4.255 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.233 0.150 1.669 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.194 -2.053 2.009 1.00 0.25 H new ATOM 1367 N SER B 31 4.038 3.268 8.455 1.00 0.21 N ATOM 1368 CA SER B 31 4.358 4.142 9.576 1.00 0.26 C ATOM 1369 C SER B 31 3.512 3.763 10.790 1.00 0.25 C ATOM 1370 O SER B 31 3.964 3.837 11.929 1.00 0.27 O ATOM 1371 CB SER B 31 4.117 5.607 9.191 1.00 0.35 C ATOM 1372 OG SER B 31 4.501 6.492 10.232 1.00 1.15 O ATOM 0 H SER B 31 3.617 3.744 7.657 1.00 0.21 H new ATOM 0 HA SER B 31 5.411 4.021 9.831 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.678 5.843 8.287 1.00 0.35 H new ATOM 0 HB3 SER B 31 3.062 5.754 8.959 1.00 0.35 H new ATOM 0 HG SER B 31 4.336 7.417 9.953 1.00 1.15 H new ATOM 1378 N SER B 32 2.286 3.338 10.526 1.00 0.27 N ATOM 1379 CA SER B 32 1.374 2.900 11.569 1.00 0.30 C ATOM 1380 C SER B 32 1.899 1.635 12.251 1.00 0.28 C ATOM 1381 O SER B 32 1.820 1.503 13.474 1.00 0.36 O ATOM 1382 CB SER B 32 -0.011 2.654 10.963 1.00 0.40 C ATOM 1383 OG SER B 32 -0.961 2.257 11.937 1.00 0.99 O ATOM 0 H SER B 32 1.897 3.287 9.585 1.00 0.27 H new ATOM 0 HA SER B 32 1.298 3.679 12.327 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.357 3.563 10.471 1.00 0.40 H new ATOM 0 HB3 SER B 32 0.062 1.884 10.195 1.00 0.40 H new ATOM 0 HG SER B 32 -1.858 2.266 11.542 1.00 0.99 H new ATOM 1389 N ILE B 33 2.455 0.719 11.456 1.00 0.24 N ATOM 1390 CA ILE B 33 2.986 -0.537 11.979 1.00 0.27 C ATOM 1391 C ILE B 33 4.086 -0.278 13.004 1.00 0.26 C ATOM 1392 O ILE B 33 4.072 -0.839 14.103 1.00 0.32 O ATOM 1393 CB ILE B 33 3.569 -1.434 10.866 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.565 -1.647 9.737 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.983 -2.777 11.445 1.00 0.44 C ATOM 1396 CD1 ILE B 33 3.133 -2.433 8.575 1.00 0.34 C ATOM 0 H ILE B 33 2.548 0.826 10.446 1.00 0.24 H new ATOM 0 HA ILE B 33 2.145 -1.050 12.445 1.00 0.27 H new ATOM 0 HB ILE B 33 4.442 -0.929 10.452 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.693 -2.170 10.129 1.00 0.30 H new ATOM 0 HG13 ILE B 33 2.221 -0.677 9.378 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.393 -3.404 10.653 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.739 -2.624 12.215 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.114 -3.268 11.883 1.00 0.44 H new ATOM 0 HD11 ILE B 33 2.369 -2.550 7.806 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.988 -1.900 8.159 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.452 -3.416 8.922 1.00 0.34 H new ATOM 1403 N VAL B 34 5.035 0.575 12.643 1.00 0.25 N ATOM 1404 CA VAL B 34 6.162 0.870 13.518 1.00 0.31 C ATOM 1405 C VAL B 34 5.736 1.779 14.668 1.00 0.37 C ATOM 1406 O VAL B 34 6.322 1.739 15.749 1.00 0.47 O ATOM 1407 CB VAL B 34 7.344 1.510 12.750 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.839 0.576 11.658 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.957 2.857 12.159 1.00 0.33 C ATOM 0 H VAL B 34 5.047 1.074 11.753 1.00 0.25 H new ATOM 0 HA VAL B 34 6.503 -0.082 13.923 1.00 0.31 H new ATOM 0 HB VAL B 34 8.152 1.676 13.463 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.670 1.043 11.129 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.173 -0.361 12.104 1.00 0.35 H new ATOM 0 HG13 VAL B 34 7.029 0.375 10.956 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.809 3.279 11.627 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.126 2.725 11.467 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.658 3.533 12.960 1.00 0.33 H new ATOM 1413 N GLU B 35 4.695 2.571 14.436 1.00 0.35 N ATOM 1414 CA GLU B 35 4.184 3.487 15.446 1.00 0.46 C ATOM 1415 C GLU B 35 3.621 2.712 16.631 1.00 0.51 C ATOM 1416 O GLU B 35 3.926 3.010 17.784 1.00 0.62 O ATOM 1417 CB GLU B 35 3.097 4.382 14.850 1.00 0.51 C ATOM 1418 CG GLU B 35 2.741 5.572 15.722 1.00 0.70 C ATOM 1419 CD GLU B 35 3.904 6.525 15.893 1.00 1.49 C ATOM 1420 OE1 GLU B 35 4.177 7.310 14.958 1.00 2.22 O ATOM 1421 OE2 GLU B 35 4.547 6.504 16.963 1.00 2.19 O ATOM 0 H GLU B 35 4.187 2.596 13.552 1.00 0.35 H new ATOM 0 HA GLU B 35 5.008 4.111 15.791 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.429 4.743 13.876 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.200 3.786 14.680 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.899 6.105 15.280 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.416 5.219 16.701 1.00 0.70 H new ATOM 1428 N LYS B 36 2.814 1.701 16.337 1.00 0.47 N ATOM 1429 CA LYS B 36 2.205 0.886 17.382 1.00 0.55 C ATOM 1430 C LYS B 36 3.123 -0.271 17.773 1.00 0.51 C ATOM 1431 O LYS B 36 2.752 -1.139 18.560 1.00 0.61 O ATOM 1432 CB LYS B 36 0.836 0.364 16.926 1.00 0.67 C ATOM 1433 CG LYS B 36 0.897 -0.548 15.710 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.485 -0.800 15.116 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.419 -1.492 16.098 1.00 1.42 C ATOM 1436 NZ LYS B 36 -0.967 -2.867 16.435 1.00 2.08 N ATOM 0 H LYS B 36 2.566 1.426 15.387 1.00 0.47 H new ATOM 0 HA LYS B 36 2.058 1.512 18.262 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.372 -0.177 17.750 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.192 1.213 16.699 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.541 -0.101 14.953 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.349 -1.499 15.992 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.924 0.149 14.808 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.386 -1.412 14.219 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.486 -0.900 17.011 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.422 -1.536 15.673 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.778 -3.427 16.767 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -0.559 -3.315 15.590 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.248 -2.822 17.185 1.00 2.08 H new ATOM 1450 N LYS B 37 4.328 -0.256 17.193 1.00 0.48 N ATOM 1451 CA LYS B 37 5.367 -1.250 17.465 1.00 0.55 C ATOM 1452 C LYS B 37 4.843 -2.664 17.220 1.00 0.59 C ATOM 1453 O LYS B 37 4.944 -3.544 18.072 1.00 0.76 O ATOM 1454 CB LYS B 37 5.886 -1.101 18.900 1.00 0.72 C ATOM 1455 CG LYS B 37 7.231 -1.769 19.136 1.00 1.19 C ATOM 1456 CD LYS B 37 7.707 -1.570 20.564 1.00 1.42 C ATOM 1457 CE LYS B 37 9.119 -2.094 20.757 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.224 -3.549 20.476 1.00 2.60 N ATOM 0 H LYS B 37 4.610 0.453 16.516 1.00 0.48 H new ATOM 0 HA LYS B 37 6.197 -1.077 16.780 1.00 0.55 H new ATOM 0 HB2 LYS B 37 5.970 -0.041 19.138 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.154 -1.525 19.587 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.152 -2.835 18.923 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.968 -1.360 18.445 1.00 1.19 H new ATOM 0 HD2 LYS B 37 7.673 -0.510 20.816 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.031 -2.082 21.249 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.799 -1.550 20.102 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.439 -1.900 21.781 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.174 -3.885 20.734 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.512 -4.063 21.033 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.060 -3.720 19.463 1.00 2.60 H new ATOM 1472 N GLU B 38 4.294 -2.876 16.035 1.00 0.54 N ATOM 1473 CA GLU B 38 3.664 -4.142 15.694 1.00 0.69 C ATOM 1474 C GLU B 38 4.620 -5.010 14.889 1.00 0.69 C ATOM 1475 O GLU B 38 4.403 -6.209 14.713 1.00 1.03 O ATOM 1476 CB GLU B 38 2.385 -3.871 14.902 1.00 0.79 C ATOM 1477 CG GLU B 38 1.604 -5.113 14.522 1.00 1.35 C ATOM 1478 CD GLU B 38 0.340 -4.773 13.770 1.00 1.41 C ATOM 1479 OE1 GLU B 38 0.401 -4.621 12.534 1.00 1.86 O ATOM 1480 OE2 GLU B 38 -0.717 -4.636 14.415 1.00 2.11 O ATOM 0 H GLU B 38 4.272 -2.182 15.288 1.00 0.54 H new ATOM 0 HA GLU B 38 3.411 -4.679 16.608 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.740 -3.218 15.490 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.644 -3.328 13.993 1.00 0.79 H new ATOM 0 HG2 GLU B 38 2.229 -5.761 13.908 1.00 1.35 H new ATOM 0 HG3 GLU B 38 1.352 -5.673 15.422 1.00 1.35 H new ATOM 1487 N ILE B 39 5.686 -4.398 14.414 1.00 0.42 N ATOM 1488 CA ILE B 39 6.653 -5.097 13.587 1.00 0.43 C ATOM 1489 C ILE B 39 7.981 -5.238 14.322 1.00 0.48 C ATOM 1490 O ILE B 39 8.312 -4.427 15.188 1.00 0.52 O ATOM 1491 CB ILE B 39 6.858 -4.364 12.243 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.666 -5.223 11.271 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.537 -3.018 12.461 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.732 -4.649 9.876 1.00 0.47 C ATOM 0 H ILE B 39 5.906 -3.417 14.586 1.00 0.42 H new ATOM 0 HA ILE B 39 6.263 -6.093 13.377 1.00 0.43 H new ATOM 0 HB ILE B 39 5.877 -4.186 11.803 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.679 -5.339 11.656 1.00 0.46 H new ATOM 0 HG13 ILE B 39 7.226 -6.219 11.226 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.672 -2.519 11.501 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.917 -2.398 13.109 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.509 -3.172 12.929 1.00 0.36 H new ATOM 0 HD11 ILE B 39 8.320 -5.309 9.238 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.724 -4.558 9.472 1.00 0.47 H new ATOM 0 HD13 ILE B 39 8.200 -3.665 9.909 1.00 0.47 H new ATOM 1501 N SER B 40 8.721 -6.286 13.989 1.00 0.55 N ATOM 1502 CA SER B 40 10.014 -6.541 14.596 1.00 0.62 C ATOM 1503 C SER B 40 11.030 -5.490 14.153 1.00 0.53 C ATOM 1504 O SER B 40 10.885 -4.912 13.073 1.00 0.48 O ATOM 1505 CB SER B 40 10.488 -7.942 14.212 1.00 0.77 C ATOM 1506 OG SER B 40 9.458 -8.895 14.425 1.00 1.82 O ATOM 0 H SER B 40 8.442 -6.978 13.294 1.00 0.55 H new ATOM 0 HA SER B 40 9.919 -6.481 15.680 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.791 -7.955 13.165 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.365 -8.209 14.801 1.00 0.77 H new ATOM 0 HG SER B 40 9.779 -9.786 14.172 1.00 1.82 H new ATOM 1512 N GLU B 41 12.041 -5.247 14.981 1.00 0.59 N ATOM 1513 CA GLU B 41 13.004 -4.167 14.748 1.00 0.60 C ATOM 1514 C GLU B 41 13.569 -4.194 13.328 1.00 0.49 C ATOM 1515 O GLU B 41 13.544 -3.182 12.623 1.00 0.46 O ATOM 1516 CB GLU B 41 14.146 -4.250 15.761 1.00 0.78 C ATOM 1517 CG GLU B 41 13.687 -4.123 17.204 1.00 1.08 C ATOM 1518 CD GLU B 41 14.839 -4.125 18.186 1.00 1.44 C ATOM 1519 OE1 GLU B 41 15.414 -3.046 18.437 1.00 2.19 O ATOM 1520 OE2 GLU B 41 15.178 -5.207 18.713 1.00 1.99 O ATOM 0 H GLU B 41 12.219 -5.787 15.828 1.00 0.59 H new ATOM 0 HA GLU B 41 12.469 -3.226 14.873 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.664 -5.201 15.635 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.869 -3.462 15.547 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.118 -3.201 17.320 1.00 1.08 H new ATOM 0 HG3 GLU B 41 13.012 -4.946 17.440 1.00 1.08 H new ATOM 1527 N ASP B 42 14.047 -5.359 12.906 1.00 0.52 N ATOM 1528 CA ASP B 42 14.652 -5.512 11.584 1.00 0.51 C ATOM 1529 C ASP B 42 13.665 -5.167 10.478 1.00 0.43 C ATOM 1530 O ASP B 42 14.039 -4.586 9.459 1.00 0.47 O ATOM 1531 CB ASP B 42 15.172 -6.936 11.391 1.00 0.61 C ATOM 1532 CG ASP B 42 16.378 -7.228 12.257 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.195 -7.589 13.437 1.00 2.29 O ATOM 1534 OD2 ASP B 42 17.517 -7.080 11.768 1.00 2.20 O ATOM 0 H ASP B 42 14.028 -6.215 13.460 1.00 0.52 H new ATOM 0 HA ASP B 42 15.489 -4.816 11.525 1.00 0.51 H new ATOM 0 HB2 ASP B 42 14.378 -7.645 11.626 1.00 0.61 H new ATOM 0 HB3 ASP B 42 15.434 -7.086 10.344 1.00 0.61 H new ATOM 1539 N GLY B 43 12.404 -5.517 10.689 1.00 0.39 N ATOM 1540 CA GLY B 43 11.374 -5.189 9.727 1.00 0.37 C ATOM 1541 C GLY B 43 11.083 -3.701 9.700 1.00 0.34 C ATOM 1542 O GLY B 43 10.820 -3.132 8.642 1.00 0.34 O ATOM 0 H GLY B 43 12.076 -6.023 11.512 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.685 -5.517 8.735 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.462 -5.734 9.971 1.00 0.37 H new ATOM 1546 N ALA B 44 11.145 -3.073 10.869 1.00 0.33 N ATOM 1547 CA ALA B 44 10.914 -1.638 10.987 1.00 0.33 C ATOM 1548 C ALA B 44 11.958 -0.858 10.199 1.00 0.32 C ATOM 1549 O ALA B 44 11.624 0.030 9.413 1.00 0.31 O ATOM 1550 CB ALA B 44 10.929 -1.220 12.449 1.00 0.38 C ATOM 0 H ALA B 44 11.354 -3.538 11.752 1.00 0.33 H new ATOM 0 HA ALA B 44 9.933 -1.412 10.570 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.755 -0.146 12.522 1.00 0.38 H new ATOM 0 HB2 ALA B 44 10.145 -1.752 12.988 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.898 -1.462 12.887 1.00 0.38 H new ATOM 1556 N ASP B 45 13.224 -1.212 10.397 1.00 0.36 N ATOM 1557 CA ASP B 45 14.322 -0.571 9.679 1.00 0.38 C ATOM 1558 C ASP B 45 14.224 -0.851 8.186 1.00 0.36 C ATOM 1559 O ASP B 45 14.612 -0.025 7.359 1.00 0.37 O ATOM 1560 CB ASP B 45 15.677 -1.048 10.207 1.00 0.48 C ATOM 1561 CG ASP B 45 15.978 -0.535 11.599 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.297 0.665 11.738 1.00 1.81 O ATOM 1563 OD2 ASP B 45 15.910 -1.328 12.557 1.00 1.84 O ATOM 0 H ASP B 45 13.516 -1.940 11.049 1.00 0.36 H new ATOM 0 HA ASP B 45 14.243 0.503 9.845 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.696 -2.138 10.215 1.00 0.48 H new ATOM 0 HB3 ASP B 45 16.463 -0.720 9.526 1.00 0.48 H new ATOM 1568 N SER B 46 13.695 -2.019 7.852 1.00 0.37 N ATOM 1569 CA SER B 46 13.507 -2.406 6.464 1.00 0.40 C ATOM 1570 C SER B 46 12.445 -1.514 5.817 1.00 0.36 C ATOM 1571 O SER B 46 12.594 -1.074 4.677 1.00 0.38 O ATOM 1572 CB SER B 46 13.098 -3.881 6.387 1.00 0.50 C ATOM 1573 OG SER B 46 13.460 -4.459 5.147 1.00 0.98 O ATOM 0 H SER B 46 13.387 -2.718 8.528 1.00 0.37 H new ATOM 0 HA SER B 46 14.443 -2.278 5.921 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.572 -4.433 7.198 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.021 -3.968 6.529 1.00 0.50 H new ATOM 0 HG SER B 46 14.020 -5.247 5.305 1.00 0.98 H new ATOM 1579 N LEU B 47 11.382 -1.227 6.566 1.00 0.32 N ATOM 1580 CA LEU B 47 10.327 -0.337 6.091 1.00 0.30 C ATOM 1581 C LEU B 47 10.845 1.086 5.927 1.00 0.27 C ATOM 1582 O LEU B 47 10.366 1.828 5.074 1.00 0.28 O ATOM 1583 CB LEU B 47 9.133 -0.340 7.051 1.00 0.30 C ATOM 1584 CG LEU B 47 8.281 -1.610 7.038 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.175 -1.518 8.078 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.689 -1.838 5.654 1.00 0.41 C ATOM 0 H LEU B 47 11.229 -1.598 7.504 1.00 0.32 H new ATOM 0 HA LEU B 47 10.001 -0.708 5.119 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.503 -0.182 8.064 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.493 0.509 6.810 1.00 0.30 H new ATOM 0 HG LEU B 47 8.920 -2.457 7.286 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.578 -2.430 8.056 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.615 -1.397 9.068 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.538 -0.662 7.857 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.085 -2.746 5.661 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.063 -0.988 5.381 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.494 -1.944 4.927 1.00 0.41 H new ATOM 1598 N ASN B 48 11.824 1.456 6.743 1.00 0.26 N ATOM 1599 CA ASN B 48 12.401 2.796 6.692 1.00 0.26 C ATOM 1600 C ASN B 48 13.011 3.076 5.323 1.00 0.27 C ATOM 1601 O ASN B 48 12.603 4.016 4.637 1.00 0.32 O ATOM 1602 CB ASN B 48 13.464 2.976 7.779 1.00 0.28 C ATOM 1603 CG ASN B 48 12.891 3.002 9.186 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.525 2.532 10.130 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.703 3.567 9.342 1.00 0.40 N ATOM 0 H ASN B 48 12.236 0.847 7.450 1.00 0.26 H new ATOM 0 HA ASN B 48 11.594 3.508 6.868 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.189 2.166 7.705 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.005 3.905 7.598 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.283 3.624 10.270 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.208 3.945 8.534 1.00 0.40 H new ATOM 1612 N VAL B 49 13.972 2.247 4.915 1.00 0.27 N ATOM 1613 CA VAL B 49 14.626 2.425 3.621 1.00 0.29 C ATOM 1614 C VAL B 49 13.611 2.298 2.490 1.00 0.29 C ATOM 1615 O VAL B 49 13.665 3.033 1.504 1.00 0.32 O ATOM 1616 CB VAL B 49 15.792 1.421 3.405 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.314 -0.023 3.474 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.492 1.684 2.077 1.00 0.36 C ATOM 0 H VAL B 49 14.312 1.453 5.457 1.00 0.27 H new ATOM 0 HA VAL B 49 15.053 3.428 3.615 1.00 0.29 H new ATOM 0 HB VAL B 49 16.505 1.574 4.215 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.159 -0.694 3.318 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.875 -0.214 4.453 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.566 -0.196 2.700 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.305 0.970 1.946 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.778 1.574 1.261 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.895 2.697 2.072 1.00 0.36 H new ATOM 1622 N ALA B 50 12.662 1.386 2.660 1.00 0.30 N ATOM 1623 CA ALA B 50 11.634 1.156 1.663 1.00 0.34 C ATOM 1624 C ALA B 50 10.737 2.374 1.501 1.00 0.33 C ATOM 1625 O ALA B 50 10.325 2.708 0.395 1.00 0.37 O ATOM 1626 CB ALA B 50 10.802 -0.059 2.041 1.00 0.37 C ATOM 0 H ALA B 50 12.586 0.792 3.486 1.00 0.30 H new ATOM 0 HA ALA B 50 12.127 0.972 0.708 1.00 0.34 H new ATOM 0 HB1 ALA B 50 10.033 -0.223 1.286 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.446 -0.937 2.100 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.330 0.110 3.009 1.00 0.37 H new ATOM 1632 N MET B 51 10.458 3.050 2.607 1.00 0.34 N ATOM 1633 CA MET B 51 9.497 4.145 2.610 1.00 0.39 C ATOM 1634 C MET B 51 10.032 5.371 1.893 1.00 0.31 C ATOM 1635 O MET B 51 9.288 6.059 1.192 1.00 0.30 O ATOM 1636 CB MET B 51 9.105 4.505 4.035 1.00 0.52 C ATOM 1637 CG MET B 51 7.894 5.413 4.110 1.00 0.62 C ATOM 1638 SD MET B 51 7.215 5.497 5.770 1.00 0.65 S ATOM 1639 CE MET B 51 7.039 3.748 6.096 1.00 0.41 C ATOM 0 H MET B 51 10.884 2.860 3.514 1.00 0.34 H new ATOM 0 HA MET B 51 8.615 3.802 2.069 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.900 3.590 4.591 1.00 0.52 H new ATOM 0 HB3 MET B 51 9.948 4.993 4.524 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.171 6.414 3.781 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.128 5.053 3.423 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.285 3.596 6.868 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.733 3.237 5.183 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.992 3.343 6.436 1.00 0.41 H new ATOM 1649 N ASP B 52 11.316 5.652 2.061 1.00 0.31 N ATOM 1650 CA ASP B 52 11.932 6.756 1.336 1.00 0.32 C ATOM 1651 C ASP B 52 11.971 6.433 -0.147 1.00 0.28 C ATOM 1652 O ASP B 52 11.901 7.327 -0.986 1.00 0.30 O ATOM 1653 CB ASP B 52 13.336 7.066 1.858 1.00 0.42 C ATOM 1654 CG ASP B 52 13.312 7.760 3.205 1.00 1.16 C ATOM 1655 OD1 ASP B 52 12.739 8.870 3.304 1.00 1.84 O ATOM 1656 OD2 ASP B 52 13.864 7.206 4.173 1.00 1.99 O ATOM 0 H ASP B 52 11.944 5.141 2.682 1.00 0.31 H new ATOM 0 HA ASP B 52 11.327 7.648 1.496 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.903 6.139 1.940 1.00 0.42 H new ATOM 0 HB3 ASP B 52 13.858 7.696 1.137 1.00 0.42 H new ATOM 1661 N CYS B 53 12.055 5.144 -0.459 1.00 0.27 N ATOM 1662 CA CYS B 53 11.973 4.682 -1.836 1.00 0.27 C ATOM 1663 C CYS B 53 10.554 4.870 -2.372 1.00 0.28 C ATOM 1664 O CYS B 53 10.369 5.289 -3.512 1.00 0.36 O ATOM 1665 CB CYS B 53 12.391 3.215 -1.932 1.00 0.36 C ATOM 1666 SG CYS B 53 14.085 2.895 -1.382 1.00 1.05 S ATOM 0 H CYS B 53 12.180 4.400 0.227 1.00 0.27 H new ATOM 0 HA CYS B 53 12.656 5.275 -2.444 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.706 2.613 -1.335 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.287 2.885 -2.966 1.00 0.36 H new ATOM 0 HG CYS B 53 14.101 2.745 -0.091 1.00 1.05 H new ATOM 1672 N ILE B 54 9.554 4.565 -1.540 1.00 0.26 N ATOM 1673 CA ILE B 54 8.156 4.818 -1.893 1.00 0.29 C ATOM 1674 C ILE B 54 7.968 6.300 -2.200 1.00 0.30 C ATOM 1675 O ILE B 54 7.407 6.677 -3.228 1.00 0.33 O ATOM 1676 CB ILE B 54 7.179 4.429 -0.753 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.399 2.982 -0.299 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.735 4.625 -1.206 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.582 2.586 0.920 1.00 0.33 C ATOM 0 H ILE B 54 9.687 4.144 -0.620 1.00 0.26 H new ATOM 0 HA ILE B 54 7.929 4.202 -2.763 1.00 0.29 H new ATOM 0 HB ILE B 54 7.379 5.082 0.097 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.152 2.312 -1.123 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.457 2.838 -0.077 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.059 4.348 -0.397 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.575 5.670 -1.471 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.538 3.996 -2.074 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.794 1.548 1.178 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.845 3.230 1.759 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.521 2.695 0.698 1.00 0.33 H new ATOM 1686 N SER B 55 8.470 7.130 -1.294 1.00 0.30 N ATOM 1687 CA SER B 55 8.390 8.575 -1.432 1.00 0.36 C ATOM 1688 C SER B 55 9.080 9.033 -2.716 1.00 0.38 C ATOM 1689 O SER B 55 8.539 9.840 -3.474 1.00 0.41 O ATOM 1690 CB SER B 55 9.033 9.238 -0.212 1.00 0.40 C ATOM 1691 OG SER B 55 8.483 8.728 0.993 1.00 0.80 O ATOM 0 H SER B 55 8.943 6.819 -0.445 1.00 0.30 H new ATOM 0 HA SER B 55 7.342 8.870 -1.491 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.109 9.067 -0.226 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.881 10.316 -0.257 1.00 0.40 H new ATOM 0 HG SER B 55 8.856 7.840 1.173 1.00 0.80 H new ATOM 1697 N GLU B 56 10.263 8.486 -2.959 1.00 0.39 N ATOM 1698 CA GLU B 56 11.054 8.811 -4.138 1.00 0.48 C ATOM 1699 C GLU B 56 10.331 8.397 -5.419 1.00 0.42 C ATOM 1700 O GLU B 56 10.323 9.130 -6.409 1.00 0.45 O ATOM 1701 CB GLU B 56 12.408 8.103 -4.040 1.00 0.59 C ATOM 1702 CG GLU B 56 13.346 8.369 -5.203 1.00 0.82 C ATOM 1703 CD GLU B 56 14.690 7.699 -5.010 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.572 8.306 -4.363 1.00 2.38 O ATOM 1705 OE2 GLU B 56 14.868 6.560 -5.487 1.00 2.66 O ATOM 0 H GLU B 56 10.702 7.803 -2.342 1.00 0.39 H new ATOM 0 HA GLU B 56 11.203 9.890 -4.178 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.899 8.412 -3.117 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.237 7.029 -3.967 1.00 0.59 H new ATOM 0 HG2 GLU B 56 12.891 8.010 -6.126 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.489 9.444 -5.315 1.00 0.82 H new ATOM 1712 N ALA B 57 9.708 7.227 -5.380 1.00 0.38 N ATOM 1713 CA ALA B 57 9.037 6.663 -6.544 1.00 0.39 C ATOM 1714 C ALA B 57 7.838 7.504 -6.979 1.00 0.33 C ATOM 1715 O ALA B 57 7.529 7.588 -8.169 1.00 0.38 O ATOM 1716 CB ALA B 57 8.597 5.239 -6.245 1.00 0.41 C ATOM 0 H ALA B 57 9.653 6.644 -4.545 1.00 0.38 H new ATOM 0 HA ALA B 57 9.749 6.662 -7.369 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.096 4.822 -7.119 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.469 4.632 -6.003 1.00 0.41 H new ATOM 0 HB3 ALA B 57 7.910 5.241 -5.399 1.00 0.41 H new ATOM 1722 N PHE B 58 7.169 8.130 -6.022 1.00 0.28 N ATOM 1723 CA PHE B 58 5.977 8.915 -6.324 1.00 0.27 C ATOM 1724 C PHE B 58 6.269 10.413 -6.308 1.00 0.30 C ATOM 1725 O PHE B 58 5.418 11.225 -6.675 1.00 0.38 O ATOM 1726 CB PHE B 58 4.858 8.583 -5.339 1.00 0.27 C ATOM 1727 CG PHE B 58 4.299 7.200 -5.503 1.00 0.25 C ATOM 1728 CD1 PHE B 58 4.998 6.095 -5.049 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.070 7.006 -6.108 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.485 4.824 -5.196 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.549 5.736 -6.257 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.258 4.643 -5.800 1.00 0.29 C ATOM 0 H PHE B 58 7.427 8.111 -5.035 1.00 0.28 H new ATOM 0 HA PHE B 58 5.655 8.651 -7.331 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.236 8.694 -4.323 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.053 9.307 -5.460 1.00 0.27 H new ATOM 0 HD1 PHE B 58 5.958 6.230 -4.573 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.512 7.858 -6.468 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.043 3.971 -4.839 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.588 5.598 -6.730 1.00 1.21 H new ATOM 0 HZ PHE B 58 2.853 3.648 -5.915 1.00 0.29 H new ATOM 1742 N GLY B 59 7.468 10.771 -5.870 1.00 0.33 N ATOM 1743 CA GLY B 59 7.896 12.156 -5.911 1.00 0.38 C ATOM 1744 C GLY B 59 7.346 12.993 -4.770 1.00 0.37 C ATOM 1745 O GLY B 59 7.003 14.161 -4.962 1.00 0.42 O ATOM 0 H GLY B 59 8.156 10.124 -5.485 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.985 12.192 -5.886 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.584 12.597 -6.858 1.00 0.38 H new ATOM 1749 N PHE B 60 7.267 12.411 -3.583 1.00 0.35 N ATOM 1750 CA PHE B 60 6.808 13.143 -2.409 1.00 0.39 C ATOM 1751 C PHE B 60 7.700 12.818 -1.217 1.00 0.39 C ATOM 1752 O PHE B 60 8.624 12.016 -1.329 1.00 0.42 O ATOM 1753 CB PHE B 60 5.336 12.822 -2.095 1.00 0.40 C ATOM 1754 CG PHE B 60 5.100 11.479 -1.456 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.247 10.312 -2.183 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.720 11.390 -0.125 1.00 1.21 C ATOM 1757 CE1 PHE B 60 5.024 9.079 -1.594 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.495 10.164 0.468 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.647 9.007 -0.268 1.00 0.33 C ATOM 0 H PHE B 60 7.514 11.437 -3.406 1.00 0.35 H new ATOM 0 HA PHE B 60 6.873 14.211 -2.618 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.944 13.596 -1.435 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.763 12.873 -3.021 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.539 10.363 -3.222 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.598 12.293 0.456 1.00 1.21 H new ATOM 0 HE1 PHE B 60 5.145 8.174 -2.171 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.201 10.111 1.506 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.471 8.046 0.193 1.00 0.33 H new ATOM 1769 N GLU B 61 7.437 13.461 -0.091 1.00 0.47 N ATOM 1770 CA GLU B 61 8.205 13.228 1.125 1.00 0.55 C ATOM 1771 C GLU B 61 7.295 12.719 2.233 1.00 0.50 C ATOM 1772 O GLU B 61 6.096 12.994 2.239 1.00 0.47 O ATOM 1773 CB GLU B 61 8.889 14.523 1.567 1.00 0.70 C ATOM 1774 CG GLU B 61 9.881 15.061 0.551 1.00 0.80 C ATOM 1775 CD GLU B 61 10.511 16.366 0.984 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.480 16.330 1.769 1.00 2.06 O ATOM 1777 OE2 GLU B 61 10.050 17.434 0.533 1.00 2.33 O ATOM 0 H GLU B 61 6.694 14.152 0.008 1.00 0.47 H new ATOM 0 HA GLU B 61 8.966 12.474 0.920 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.128 15.280 1.756 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.406 14.348 2.510 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.664 14.321 0.387 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.375 15.206 -0.403 1.00 0.80 H new ATOM 1784 N ARG B 62 7.882 11.987 3.177 1.00 0.53 N ATOM 1785 CA ARG B 62 7.139 11.391 4.289 1.00 0.53 C ATOM 1786 C ARG B 62 6.472 12.446 5.164 1.00 0.52 C ATOM 1787 O ARG B 62 5.578 12.133 5.944 1.00 0.64 O ATOM 1788 CB ARG B 62 8.065 10.528 5.152 1.00 0.62 C ATOM 1789 CG ARG B 62 8.406 9.180 4.539 1.00 1.40 C ATOM 1790 CD ARG B 62 9.312 8.368 5.454 1.00 1.46 C ATOM 1791 NE ARG B 62 10.718 8.763 5.348 1.00 2.25 N ATOM 1792 CZ ARG B 62 11.509 9.015 6.391 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.022 9.018 7.625 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.793 9.268 6.190 1.00 3.67 N ATOM 0 H ARG B 62 8.883 11.790 3.195 1.00 0.53 H new ATOM 0 HA ARG B 62 6.358 10.770 3.851 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.989 11.076 5.335 1.00 0.62 H new ATOM 0 HB3 ARG B 62 7.594 10.366 6.121 1.00 0.62 H new ATOM 0 HG2 ARG B 62 7.489 8.624 4.346 1.00 1.40 H new ATOM 0 HG3 ARG B 62 8.897 9.329 3.577 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.982 8.487 6.486 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.216 7.310 5.209 1.00 1.46 H new ATOM 0 HE ARG B 62 11.119 8.851 4.414 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.033 8.826 7.783 1.00 2.13 H new ATOM 0 HH12 ARG B 62 11.637 9.212 8.415 1.00 2.13 H new ATOM 0 HH21 ARG B 62 13.170 9.269 5.242 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.405 9.462 6.983 1.00 3.67 H new ATOM 1808 N GLU B 63 6.911 13.688 5.040 1.00 0.57 N ATOM 1809 CA GLU B 63 6.332 14.778 5.814 1.00 0.63 C ATOM 1810 C GLU B 63 5.143 15.399 5.081 1.00 0.62 C ATOM 1811 O GLU B 63 4.467 16.278 5.609 1.00 0.74 O ATOM 1812 CB GLU B 63 7.391 15.845 6.094 1.00 0.73 C ATOM 1813 CG GLU B 63 8.615 15.307 6.815 1.00 1.69 C ATOM 1814 CD GLU B 63 9.640 16.378 7.107 1.00 2.52 C ATOM 1815 OE1 GLU B 63 10.445 16.703 6.206 1.00 3.19 O ATOM 1816 OE2 GLU B 63 9.642 16.913 8.234 1.00 3.12 O ATOM 0 H GLU B 63 7.665 13.968 4.412 1.00 0.57 H new ATOM 0 HA GLU B 63 5.975 14.371 6.760 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.702 16.293 5.151 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.946 16.639 6.693 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.305 14.842 7.751 1.00 1.69 H new ATOM 0 HG3 GLU B 63 9.074 14.526 6.209 1.00 1.69 H new ATOM 1823 N ALA B 64 4.886 14.927 3.866 1.00 0.55 N ATOM 1824 CA ALA B 64 3.808 15.471 3.048 1.00 0.59 C ATOM 1825 C ALA B 64 2.620 14.518 2.987 1.00 0.53 C ATOM 1826 O ALA B 64 1.612 14.809 2.341 1.00 0.56 O ATOM 1827 CB ALA B 64 4.314 15.771 1.645 1.00 0.66 C ATOM 0 H ALA B 64 5.409 14.170 3.426 1.00 0.55 H new ATOM 0 HA ALA B 64 3.470 16.397 3.512 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.500 16.177 1.044 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.124 16.499 1.698 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.681 14.853 1.187 1.00 0.66 H new ATOM 1833 N VAL B 65 2.738 13.384 3.670 1.00 0.50 N ATOM 1834 CA VAL B 65 1.693 12.364 3.651 1.00 0.46 C ATOM 1835 C VAL B 65 0.366 12.911 4.184 1.00 0.52 C ATOM 1836 O VAL B 65 -0.702 12.609 3.647 1.00 0.53 O ATOM 1837 CB VAL B 65 2.117 11.107 4.453 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.522 11.466 5.870 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.007 10.070 4.474 1.00 0.50 C ATOM 0 H VAL B 65 3.547 13.147 4.244 1.00 0.50 H new ATOM 0 HA VAL B 65 1.548 12.074 2.610 1.00 0.46 H new ATOM 0 HB VAL B 65 2.982 10.679 3.947 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.814 10.562 6.405 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.363 12.159 5.844 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.681 11.935 6.381 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.333 9.200 5.043 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.119 10.497 4.940 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.772 9.768 3.453 1.00 0.50 H new ATOM 1843 N SER B 66 0.442 13.745 5.215 1.00 0.62 N ATOM 1844 CA SER B 66 -0.746 14.327 5.819 1.00 0.74 C ATOM 1845 C SER B 66 -1.439 15.277 4.847 1.00 0.75 C ATOM 1846 O SER B 66 -2.669 15.354 4.806 1.00 0.83 O ATOM 1847 CB SER B 66 -0.365 15.063 7.101 1.00 0.88 C ATOM 1848 OG SER B 66 0.389 14.218 7.956 1.00 1.63 O ATOM 0 H SER B 66 1.319 14.033 5.650 1.00 0.62 H new ATOM 0 HA SER B 66 -1.443 13.525 6.061 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.215 15.953 6.857 1.00 0.88 H new ATOM 0 HB3 SER B 66 -1.265 15.400 7.615 1.00 0.88 H new ATOM 0 HG SER B 66 0.626 14.706 8.772 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.644 15.991 4.059 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.193 16.902 3.077 1.00 0.74 C ATOM 1856 C GLY B 67 -1.942 16.170 1.984 1.00 0.69 C ATOM 1857 O GLY B 67 -2.980 16.637 1.512 1.00 0.74 O ATOM 0 H GLY B 67 0.375 15.954 4.084 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.865 17.605 3.570 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.387 17.488 2.635 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.420 15.017 1.586 1.00 0.61 N ATOM 1862 CA ILE B 68 -2.057 14.207 0.560 1.00 0.58 C ATOM 1863 C ILE B 68 -3.337 13.570 1.097 1.00 0.62 C ATOM 1864 O ILE B 68 -4.391 13.643 0.464 1.00 0.70 O ATOM 1865 CB ILE B 68 -1.113 13.100 0.042 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.203 13.708 -0.453 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.786 12.313 -1.074 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.223 12.678 -0.888 1.00 0.45 C ATOM 0 H ILE B 68 -0.556 14.623 1.959 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.300 14.870 -0.270 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.891 12.419 0.864 1.00 0.50 H new ATOM 0 HG12 ILE B 68 -0.007 14.374 -1.290 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.632 14.319 0.341 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.110 11.536 -1.430 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.699 11.854 -0.696 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -2.031 12.985 -1.896 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.128 13.182 -1.226 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.463 12.026 -0.048 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.814 12.083 -1.704 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.244 12.960 2.275 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.392 12.300 2.892 1.00 0.66 C ATOM 1877 C LEU B 69 -5.491 13.302 3.220 1.00 0.84 C ATOM 1878 O LEU B 69 -6.674 13.009 3.069 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.969 11.555 4.160 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.052 10.352 3.929 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.642 9.728 5.253 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.739 9.321 3.047 1.00 0.45 C ATOM 0 H LEU B 69 -2.385 12.909 2.823 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.785 11.580 2.174 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.463 12.256 4.823 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.865 11.215 4.679 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.153 10.700 3.420 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.990 8.874 5.067 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.110 10.466 5.854 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.531 9.396 5.789 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.073 8.472 2.893 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.655 8.981 3.531 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.983 9.770 2.084 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.093 14.488 3.659 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.054 15.520 3.994 1.00 0.93 C ATOM 1896 C GLY B 70 -6.832 16.011 2.788 1.00 0.98 C ATOM 1897 O GLY B 70 -7.984 16.427 2.915 1.00 1.24 O ATOM 0 H GLY B 70 -4.117 14.755 3.790 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.751 15.134 4.738 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.533 16.361 4.452 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.211 15.956 1.617 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.848 16.424 0.393 1.00 0.97 C ATOM 1903 C LYS B 71 -7.688 15.318 -0.241 1.00 0.98 C ATOM 1904 O LYS B 71 -8.737 15.578 -0.833 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.786 16.914 -0.599 1.00 1.11 C ATOM 1906 CG LYS B 71 -6.359 17.539 -1.860 1.00 1.68 C ATOM 1907 CD LYS B 71 -7.116 18.824 -1.556 1.00 2.11 C ATOM 1908 CE LYS B 71 -7.746 19.414 -2.806 1.00 2.60 C ATOM 1909 NZ LYS B 71 -6.739 19.686 -3.867 1.00 3.15 N ATOM 0 H LYS B 71 -5.267 15.592 1.489 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.509 17.253 0.646 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.148 17.645 -0.101 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.150 16.074 -0.879 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.552 17.749 -2.561 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -7.028 16.829 -2.347 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -7.892 18.623 -0.817 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -6.435 19.551 -1.113 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -8.500 18.727 -3.190 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -8.260 20.340 -2.549 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -7.179 20.239 -4.630 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -5.946 20.223 -3.463 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -6.387 18.786 -4.251 1.00 3.15 H new ATOM 1923 N SER B 72 -7.231 14.085 -0.096 1.00 0.91 N ATOM 1924 CA SER B 72 -7.900 12.937 -0.692 1.00 1.08 C ATOM 1925 C SER B 72 -9.060 12.461 0.179 1.00 1.03 C ATOM 1926 O SER B 72 -9.275 12.967 1.284 1.00 1.20 O ATOM 1927 CB SER B 72 -6.889 11.805 -0.877 1.00 1.29 C ATOM 1928 OG SER B 72 -6.183 11.555 0.327 1.00 2.02 O ATOM 0 H SER B 72 -6.392 13.851 0.434 1.00 0.91 H new ATOM 0 HA SER B 72 -8.306 13.234 -1.659 1.00 1.08 H new ATOM 0 HB2 SER B 72 -7.405 10.899 -1.195 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.186 12.066 -1.668 1.00 1.29 H new ATOM 0 HG SER B 72 -5.421 12.167 0.392 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.807 11.481 -0.317 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.902 10.892 0.444 1.00 1.30 C ATOM 1936 C GLU B 73 -10.380 9.803 1.365 1.00 1.26 C ATOM 1937 O GLU B 73 -11.095 8.865 1.711 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.967 10.306 -0.481 1.00 1.67 C ATOM 1939 CG GLU B 73 -12.753 11.343 -1.258 1.00 1.87 C ATOM 1940 CD GLU B 73 -13.926 10.730 -1.988 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -13.752 10.289 -3.141 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -15.029 10.666 -1.406 1.00 2.64 O ATOM 0 H GLU B 73 -9.674 11.077 -1.244 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.355 11.686 1.038 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.487 9.627 -1.186 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.660 9.711 0.113 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -13.112 12.113 -0.575 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -12.096 11.835 -1.975 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.124 9.926 1.752 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.503 8.965 2.639 1.00 1.02 C ATOM 1951 C PHE B 74 -8.197 9.626 3.971 1.00 1.07 C ATOM 1952 O PHE B 74 -7.554 9.041 4.844 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.236 8.407 1.995 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.482 7.842 0.624 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.432 6.852 0.434 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.774 8.304 -0.473 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.671 6.335 -0.821 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.010 7.787 -1.733 1.00 1.25 C ATOM 1959 CZ PHE B 74 -7.960 6.802 -1.906 1.00 1.19 C ATOM 0 H PHE B 74 -8.512 10.689 1.462 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.185 8.134 2.817 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.489 9.198 1.929 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -6.821 7.629 2.635 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -8.992 6.481 1.279 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.030 9.076 -0.343 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.415 5.564 -0.955 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.451 8.154 -2.581 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.147 6.397 -2.890 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.681 4.615 7.866 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.523 3.746 7.952 1.00 0.85 C ATOM 2017 C HIS B 78 -6.579 2.761 6.787 1.00 0.69 C ATOM 2018 O HIS B 78 -7.620 2.154 6.556 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.530 3.010 9.298 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.220 2.385 9.686 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.081 1.046 9.971 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.999 2.936 9.887 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -3.835 0.800 10.331 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.154 1.929 10.291 1.00 1.85 N ATOM 0 HA HIS B 78 -5.601 4.324 7.892 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.826 3.712 10.078 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -7.292 2.231 9.265 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -5.825 0.351 9.913 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -3.737 3.975 9.754 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -3.439 -0.165 10.612 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.474 2.632 6.050 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.441 1.850 4.801 1.00 0.46 C ATOM 2035 C LEU B 79 -6.172 0.509 4.914 1.00 0.44 C ATOM 2036 O LEU B 79 -7.021 0.187 4.083 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.992 1.606 4.365 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.818 0.699 3.138 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.460 1.319 1.905 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.346 0.418 2.885 1.00 0.41 C ATOM 0 H LEU B 79 -4.581 3.060 6.295 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.965 2.443 4.052 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.527 2.569 4.153 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.448 1.166 5.201 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.322 -0.245 3.344 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.322 0.656 1.051 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.525 1.464 2.084 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.993 2.281 1.697 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.243 -0.226 2.012 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.822 1.357 2.707 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.916 -0.079 3.755 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.854 -0.258 5.948 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.401 -1.602 6.099 1.00 0.54 C ATOM 2054 C ALA B 80 -7.917 -1.594 6.286 1.00 0.58 C ATOM 2055 O ALA B 80 -8.597 -2.530 5.876 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.731 -2.310 7.255 1.00 0.63 C ATOM 0 H ALA B 80 -5.220 0.026 6.695 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.195 -2.142 5.175 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -6.147 -3.312 7.358 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.660 -2.380 7.067 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.903 -1.749 8.174 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.441 -0.537 6.895 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.884 -0.402 7.088 1.00 0.70 C ATOM 2064 C ASP B 81 -10.574 -0.334 5.734 1.00 0.60 C ATOM 2065 O ASP B 81 -11.616 -0.951 5.513 1.00 0.67 O ATOM 2066 CB ASP B 81 -10.196 0.860 7.898 1.00 0.78 C ATOM 2067 CG ASP B 81 -11.667 0.998 8.229 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -12.411 1.613 7.433 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -12.085 0.504 9.297 1.00 2.06 O ATOM 0 H ASP B 81 -7.891 0.239 7.264 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.252 -1.268 7.638 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.620 0.843 8.823 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.871 1.736 7.336 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.949 0.405 4.828 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.422 0.536 3.458 1.00 0.44 C ATOM 2076 C ILE B 82 -10.405 -0.811 2.742 1.00 0.48 C ATOM 2077 O ILE B 82 -11.337 -1.158 2.010 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.548 1.548 2.688 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.819 2.965 3.196 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.778 1.447 1.188 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.929 4.014 2.573 1.00 0.61 C ATOM 0 H ILE B 82 -9.098 0.932 5.023 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.450 0.897 3.489 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.500 1.309 2.870 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.860 3.220 2.997 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.687 2.985 4.278 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.148 2.173 0.674 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.526 0.442 0.848 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.825 1.653 0.966 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.179 4.993 2.982 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.887 3.784 2.794 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.078 4.023 1.493 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.350 -1.573 2.968 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.215 -2.885 2.358 1.00 0.52 C ATOM 2090 C LEU B 83 -10.192 -3.876 2.983 1.00 0.69 C ATOM 2091 O LEU B 83 -10.684 -4.781 2.314 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.776 -3.394 2.484 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.811 -2.937 1.381 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.702 -1.420 1.333 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.442 -3.559 1.591 1.00 0.43 C ATOM 0 H LEU B 83 -8.572 -1.306 3.571 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.455 -2.793 1.299 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.378 -3.071 3.446 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.795 -4.484 2.497 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.211 -3.273 0.424 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.011 -1.130 0.541 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.684 -0.991 1.133 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.333 -1.051 2.290 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.767 -3.227 0.802 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.047 -3.252 2.560 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.528 -4.645 1.562 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.491 -3.688 4.261 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.416 -4.567 4.964 1.00 0.94 C ATOM 2109 C ASN B 84 -12.838 -4.383 4.441 1.00 0.97 C ATOM 2110 O ASN B 84 -13.635 -5.318 4.454 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.375 -4.307 6.474 1.00 1.03 C ATOM 2112 CG ASN B 84 -12.163 -5.337 7.274 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.151 -6.585 6.827 1.00 1.83 O flip ATOM 2114 ND2 ASN B 84 -12.764 -5.016 8.298 1.00 1.79 N flip ATOM 0 H ASN B 84 -10.107 -2.935 4.832 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.105 -5.595 4.780 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.338 -4.309 6.810 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.774 -3.313 6.678 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.752 -4.046 8.613 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -13.274 -5.720 8.832 1.00 1.79 H new ATOM 2121 N SER B 85 -13.152 -3.179 3.973 1.00 0.87 N ATOM 2122 CA SER B 85 -14.475 -2.903 3.423 1.00 0.93 C ATOM 2123 C SER B 85 -14.626 -3.456 2.003 1.00 0.91 C ATOM 2124 O SER B 85 -15.714 -3.416 1.425 1.00 1.01 O ATOM 2125 CB SER B 85 -14.778 -1.401 3.459 1.00 0.97 C ATOM 2126 OG SER B 85 -13.627 -0.626 3.182 1.00 1.50 O ATOM 0 H SER B 85 -12.513 -2.384 3.963 1.00 0.87 H new ATOM 0 HA SER B 85 -15.203 -3.416 4.052 1.00 0.93 H new ATOM 0 HB2 SER B 85 -15.556 -1.170 2.731 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.169 -1.133 4.440 1.00 0.97 H new ATOM 0 HG SER B 85 -13.045 -1.114 2.562 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.540 -3.978 1.447 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.587 -4.605 0.133 1.00 0.95 C ATOM 2134 C ALA B 86 -14.184 -6.006 0.241 1.00 1.14 C ATOM 2135 O ALA B 86 -14.256 -6.576 1.333 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.196 -4.662 -0.479 1.00 1.09 C ATOM 0 H ALA B 86 -12.618 -3.980 1.884 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.222 -4.005 -0.519 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.249 -5.133 -1.460 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -11.803 -3.651 -0.583 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.538 -5.243 0.167 1.00 1.09 H new