USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 3:sc= 0.586 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.732 X(o=-0.15,f=-0.46) USER MOD Set 2.1: A 18 HIS : +bothHN:sc= -0.253 K(o=0.62,f=-1.9!) USER MOD Set 2.2: A 20 GLN : amide:sc= 0.943 K(o=0.62,f=-6.9!) USER MOD Set 2.3: A 35 THR OG1 : rot 170:sc= -0.0739 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -1.56! C(o=1.3!,f=-7.3!) USER MOD Set 3.2: A 67 CYS SG : rot 120:sc= 0.763 USER MOD Set 3.3: A 69 SER OG : rot 82:sc= 2.15 USER MOD Single : A 11 CYS SG : rot -157:sc= -4.07! USER MOD Single : A 12 SER OG : rot -170:sc= -0.929 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0.2 (180deg=0.195) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 102:sc= 0.315 USER MOD Single : A 25 SER OG : rot -58:sc= 1.81 USER MOD Single : A 26 SER OG : rot -89:sc= 1.02 USER MOD Single : A 29 GLN : amide:sc= 0.58 K(o=0.58,f=-0.023) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00348 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.2!) USER MOD Single : A 46 TYR OH : rot -76:sc= 0.459 USER MOD Single : A 48 GLN : amide:sc= -0.232 K(o=-0.23,f=-0.87) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.874) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.703 USER MOD Single : A 62 SER OG : rot 71:sc= 1.23 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.403 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0646 (180deg=-0.294) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.48) USER MOD Single : A 84 MET CE :methyl 160:sc= -0.18 (180deg=-0.825) USER MOD Single : A 85 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.75) USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -0.0564 (180deg=-0.462) USER MOD Single : A 92 SER OG : rot 69:sc= -0.272! USER MOD Single : A 97 THR OG1 : rot -82:sc= 1.28 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.634 (180deg=-0.903) USER MOD Single : A 101 SER OG : rot 173:sc= 1.07 USER MOD Single : A 108 SER OG : rot 57:sc= 0.894 USER MOD Single : A 116 THR OG1 : rot 157:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 8 -2.618 -18.194 2.138 1.00 55.50 N ATOM 96 CA ARG A 8 -1.745 -17.303 1.397 1.00 52.22 C ATOM 97 C ARG A 8 -2.510 -16.584 0.311 1.00 30.12 C ATOM 98 O ARG A 8 -3.352 -17.176 -0.364 1.00 44.04 O ATOM 99 CB ARG A 8 -0.571 -18.052 0.762 1.00 1.41 C ATOM 100 CG ARG A 8 0.536 -18.433 1.723 1.00 74.21 C ATOM 101 CD ARG A 8 1.796 -18.805 0.961 1.00 3.21 C ATOM 102 NE ARG A 8 2.896 -19.164 1.850 1.00 2.41 N ATOM 103 CZ ARG A 8 4.186 -18.911 1.605 1.00 22.42 C ATOM 104 NH1 ARG A 8 4.543 -18.201 0.537 1.00 14.05 N ATOM 105 NH2 ARG A 8 5.115 -19.345 2.446 1.00 62.43 N ATOM 0 HA ARG A 8 -1.353 -16.581 2.114 1.00 52.22 H new ATOM 0 HB2 ARG A 8 -0.950 -18.958 0.289 1.00 1.41 H new ATOM 0 HB3 ARG A 8 -0.149 -17.432 -0.029 1.00 1.41 H new ATOM 0 HG2 ARG A 8 0.743 -17.601 2.397 1.00 74.21 H new ATOM 0 HG3 ARG A 8 0.216 -19.272 2.341 1.00 74.21 H new ATOM 0 HD2 ARG A 8 1.582 -19.641 0.296 1.00 3.21 H new ATOM 0 HD3 ARG A 8 2.098 -17.967 0.333 1.00 3.21 H new ATOM 0 HE ARG A 8 2.664 -19.642 2.721 1.00 2.41 H new ATOM 0 HH11 ARG A 8 3.831 -17.846 -0.101 1.00 14.05 H new ATOM 0 HH12 ARG A 8 5.529 -18.012 0.357 1.00 14.05 H new ATOM 0 HH21 ARG A 8 4.845 -19.870 3.277 1.00 62.43 H new ATOM 0 HH22 ARG A 8 6.100 -19.153 2.261 1.00 62.43 H new ATOM 119 N VAL A 9 -2.217 -15.314 0.145 1.00 74.05 N ATOM 120 CA VAL A 9 -2.828 -14.518 -0.900 1.00 11.11 C ATOM 121 C VAL A 9 -1.762 -13.748 -1.647 1.00 71.25 C ATOM 122 O VAL A 9 -0.738 -13.375 -1.070 1.00 34.45 O ATOM 123 CB VAL A 9 -3.889 -13.521 -0.354 1.00 1.43 C ATOM 124 CG1 VAL A 9 -5.105 -14.260 0.178 1.00 52.44 C ATOM 125 CG2 VAL A 9 -3.292 -12.626 0.725 1.00 33.22 C ATOM 0 H VAL A 9 -1.552 -14.804 0.726 1.00 74.05 H new ATOM 0 HA VAL A 9 -3.340 -15.211 -1.567 1.00 11.11 H new ATOM 0 HB VAL A 9 -4.209 -12.889 -1.182 1.00 1.43 H new ATOM 0 HG11 VAL A 9 -5.832 -13.540 0.554 1.00 52.44 H new ATOM 0 HG12 VAL A 9 -5.555 -14.845 -0.624 1.00 52.44 H new ATOM 0 HG13 VAL A 9 -4.802 -14.925 0.986 1.00 52.44 H new ATOM 0 HG21 VAL A 9 -4.055 -11.938 1.090 1.00 33.22 H new ATOM 0 HG22 VAL A 9 -2.933 -13.241 1.550 1.00 33.22 H new ATOM 0 HG23 VAL A 9 -2.461 -12.058 0.308 1.00 33.22 H new ATOM 135 N ARG A 10 -1.982 -13.533 -2.922 1.00 25.21 N ATOM 136 CA ARG A 10 -1.049 -12.777 -3.724 1.00 20.15 C ATOM 137 C ARG A 10 -1.556 -11.363 -3.892 1.00 32.44 C ATOM 138 O ARG A 10 -2.626 -11.147 -4.462 1.00 35.42 O ATOM 139 CB ARG A 10 -0.847 -13.426 -5.087 1.00 23.10 C ATOM 140 CG ARG A 10 0.099 -12.654 -5.976 1.00 42.12 C ATOM 141 CD ARG A 10 0.256 -13.298 -7.333 1.00 20.42 C ATOM 142 NE ARG A 10 1.130 -12.509 -8.185 1.00 11.11 N ATOM 143 CZ ARG A 10 1.440 -12.811 -9.440 1.00 73.33 C ATOM 144 NH1 ARG A 10 0.958 -13.915 -10.002 1.00 51.41 N ATOM 145 NH2 ARG A 10 2.242 -12.006 -10.134 1.00 53.50 N ATOM 0 H ARG A 10 -2.801 -13.872 -3.428 1.00 25.21 H new ATOM 0 HA ARG A 10 -0.086 -12.761 -3.213 1.00 20.15 H new ATOM 0 HB2 ARG A 10 -0.463 -14.437 -4.948 1.00 23.10 H new ATOM 0 HB3 ARG A 10 -1.812 -13.518 -5.586 1.00 23.10 H new ATOM 0 HG2 ARG A 10 -0.269 -11.636 -6.099 1.00 42.12 H new ATOM 0 HG3 ARG A 10 1.074 -12.584 -5.493 1.00 42.12 H new ATOM 0 HD2 ARG A 10 0.664 -14.302 -7.218 1.00 20.42 H new ATOM 0 HD3 ARG A 10 -0.721 -13.403 -7.805 1.00 20.42 H new ATOM 0 HE ARG A 10 1.535 -11.661 -7.789 1.00 11.11 H new ATOM 0 HH11 ARG A 10 0.347 -14.534 -9.469 1.00 51.41 H new ATOM 0 HH12 ARG A 10 1.199 -14.143 -10.967 1.00 51.41 H new ATOM 0 HH21 ARG A 10 2.615 -11.161 -9.701 1.00 53.50 H new ATOM 0 HH22 ARG A 10 2.483 -12.234 -11.099 1.00 53.50 H new ATOM 159 N CYS A 11 -0.805 -10.404 -3.394 1.00 10.23 N ATOM 160 CA CYS A 11 -1.229 -9.023 -3.462 1.00 54.22 C ATOM 161 C CYS A 11 -0.068 -8.095 -3.792 1.00 13.23 C ATOM 162 O CYS A 11 1.101 -8.416 -3.541 1.00 43.41 O ATOM 163 CB CYS A 11 -1.856 -8.598 -2.129 1.00 31.02 C ATOM 164 SG CYS A 11 -3.140 -9.715 -1.514 1.00 44.54 S ATOM 0 H CYS A 11 0.096 -10.554 -2.941 1.00 10.23 H new ATOM 0 HA CYS A 11 -1.967 -8.945 -4.260 1.00 54.22 H new ATOM 0 HB2 CYS A 11 -1.068 -8.522 -1.379 1.00 31.02 H new ATOM 0 HB3 CYS A 11 -2.283 -7.602 -2.244 1.00 31.02 H new ATOM 0 HG CYS A 11 -3.921 -9.071 -0.698 1.00 44.54 H new ATOM 170 N SER A 12 -0.403 -6.964 -4.367 1.00 64.32 N ATOM 171 CA SER A 12 0.545 -5.922 -4.656 1.00 53.13 C ATOM 172 C SER A 12 0.325 -4.789 -3.658 1.00 20.00 C ATOM 173 O SER A 12 -0.741 -4.714 -3.040 1.00 21.32 O ATOM 174 CB SER A 12 0.366 -5.441 -6.099 1.00 5.25 C ATOM 175 OG SER A 12 -1.003 -5.233 -6.400 1.00 4.41 O ATOM 0 H SER A 12 -1.357 -6.742 -4.650 1.00 64.32 H new ATOM 0 HA SER A 12 1.566 -6.290 -4.559 1.00 53.13 H new ATOM 0 HB2 SER A 12 0.920 -4.514 -6.248 1.00 5.25 H new ATOM 0 HB3 SER A 12 0.785 -6.176 -6.786 1.00 5.25 H new ATOM 0 HG SER A 12 -1.107 -5.081 -7.363 1.00 4.41 H new ATOM 181 N HIS A 13 1.308 -3.917 -3.472 1.00 73.12 N ATOM 182 CA HIS A 13 1.156 -2.874 -2.465 1.00 44.43 C ATOM 183 C HIS A 13 1.943 -1.605 -2.776 1.00 4.31 C ATOM 184 O HIS A 13 3.059 -1.652 -3.305 1.00 53.15 O ATOM 185 CB HIS A 13 1.547 -3.406 -1.066 1.00 32.41 C ATOM 186 CG HIS A 13 3.021 -3.702 -0.883 1.00 25.02 C ATOM 187 ND1 HIS A 13 3.703 -3.429 0.285 1.00 4.11 N ATOM 188 CD2 HIS A 13 3.933 -4.259 -1.718 1.00 54.24 C ATOM 189 CE1 HIS A 13 4.960 -3.802 0.159 1.00 50.30 C ATOM 190 NE2 HIS A 13 5.126 -4.306 -1.041 1.00 22.35 N ATOM 0 H HIS A 13 2.190 -3.908 -3.985 1.00 73.12 H new ATOM 0 HA HIS A 13 0.101 -2.599 -2.477 1.00 44.43 H new ATOM 0 HB2 HIS A 13 1.243 -2.674 -0.318 1.00 32.41 H new ATOM 0 HB3 HIS A 13 0.982 -4.317 -0.869 1.00 32.41 H new ATOM 0 HD2 HIS A 13 3.754 -4.601 -2.727 1.00 54.24 H new ATOM 0 HE1 HIS A 13 5.725 -3.709 0.916 1.00 50.30 H new ATOM 0 HE2 HIS A 13 6.002 -4.674 -1.412 1.00 22.35 H new ATOM 199 N LEU A 14 1.343 -0.480 -2.432 1.00 21.41 N ATOM 200 CA LEU A 14 1.980 0.816 -2.541 1.00 32.42 C ATOM 201 C LEU A 14 2.412 1.266 -1.161 1.00 24.43 C ATOM 202 O LEU A 14 1.685 1.066 -0.178 1.00 13.03 O ATOM 203 CB LEU A 14 1.017 1.855 -3.128 1.00 44.44 C ATOM 204 CG LEU A 14 0.665 1.697 -4.604 1.00 55.11 C ATOM 205 CD1 LEU A 14 -0.486 2.612 -4.983 1.00 52.24 C ATOM 206 CD2 LEU A 14 1.868 2.002 -5.458 1.00 72.23 C ATOM 0 H LEU A 14 0.392 -0.442 -2.066 1.00 21.41 H new ATOM 0 HA LEU A 14 2.840 0.728 -3.205 1.00 32.42 H new ATOM 0 HB2 LEU A 14 0.092 1.828 -2.552 1.00 44.44 H new ATOM 0 HB3 LEU A 14 1.453 2.844 -2.985 1.00 44.44 H new ATOM 0 HG LEU A 14 0.357 0.666 -4.775 1.00 55.11 H new ATOM 0 HD11 LEU A 14 -0.720 2.483 -6.040 1.00 52.24 H new ATOM 0 HD12 LEU A 14 -1.362 2.362 -4.384 1.00 52.24 H new ATOM 0 HD13 LEU A 14 -0.203 3.648 -4.798 1.00 52.24 H new ATOM 0 HD21 LEU A 14 1.606 1.886 -6.510 1.00 72.23 H new ATOM 0 HD22 LEU A 14 2.194 3.026 -5.276 1.00 72.23 H new ATOM 0 HD23 LEU A 14 2.676 1.314 -5.207 1.00 72.23 H new ATOM 218 N LEU A 15 3.582 1.844 -1.075 1.00 1.23 N ATOM 219 CA LEU A 15 4.085 2.336 0.185 1.00 13.34 C ATOM 220 C LEU A 15 4.400 3.806 0.087 1.00 54.22 C ATOM 221 O LEU A 15 5.214 4.217 -0.734 1.00 44.53 O ATOM 222 CB LEU A 15 5.334 1.563 0.610 1.00 32.11 C ATOM 223 CG LEU A 15 6.042 2.081 1.870 1.00 1.30 C ATOM 224 CD1 LEU A 15 5.121 2.020 3.078 1.00 35.22 C ATOM 225 CD2 LEU A 15 7.314 1.296 2.128 1.00 33.01 C ATOM 0 H LEU A 15 4.209 1.987 -1.867 1.00 1.23 H new ATOM 0 HA LEU A 15 3.312 2.188 0.939 1.00 13.34 H new ATOM 0 HB2 LEU A 15 5.056 0.522 0.774 1.00 32.11 H new ATOM 0 HB3 LEU A 15 6.046 1.577 -0.216 1.00 32.11 H new ATOM 0 HG LEU A 15 6.308 3.125 1.702 1.00 1.30 H new ATOM 0 HD11 LEU A 15 5.648 2.393 3.956 1.00 35.22 H new ATOM 0 HD12 LEU A 15 4.240 2.635 2.895 1.00 35.22 H new ATOM 0 HD13 LEU A 15 4.814 0.988 3.250 1.00 35.22 H new ATOM 0 HD21 LEU A 15 7.802 1.678 3.025 1.00 33.01 H new ATOM 0 HD22 LEU A 15 7.070 0.243 2.268 1.00 33.01 H new ATOM 0 HD23 LEU A 15 7.986 1.402 1.277 1.00 33.01 H new ATOM 237 N VAL A 16 3.735 4.593 0.903 1.00 14.41 N ATOM 238 CA VAL A 16 3.983 6.011 0.953 1.00 71.51 C ATOM 239 C VAL A 16 4.406 6.407 2.360 1.00 43.11 C ATOM 240 O VAL A 16 3.578 6.484 3.278 1.00 10.23 O ATOM 241 CB VAL A 16 2.744 6.836 0.520 1.00 5.21 C ATOM 242 CG1 VAL A 16 3.053 8.327 0.547 1.00 51.23 C ATOM 243 CG2 VAL A 16 2.283 6.417 -0.870 1.00 34.45 C ATOM 0 H VAL A 16 3.012 4.268 1.545 1.00 14.41 H new ATOM 0 HA VAL A 16 4.784 6.233 0.248 1.00 71.51 H new ATOM 0 HB VAL A 16 1.939 6.638 1.228 1.00 5.21 H new ATOM 0 HG11 VAL A 16 2.170 8.887 0.240 1.00 51.23 H new ATOM 0 HG12 VAL A 16 3.336 8.622 1.557 1.00 51.23 H new ATOM 0 HG13 VAL A 16 3.874 8.541 -0.137 1.00 51.23 H new ATOM 0 HG21 VAL A 16 1.412 7.006 -1.158 1.00 34.45 H new ATOM 0 HG22 VAL A 16 3.087 6.585 -1.586 1.00 34.45 H new ATOM 0 HG23 VAL A 16 2.019 5.360 -0.862 1.00 34.45 H new ATOM 253 N LYS A 17 5.700 6.605 2.530 1.00 71.54 N ATOM 254 CA LYS A 17 6.267 6.996 3.810 1.00 61.43 C ATOM 255 C LYS A 17 6.040 8.479 4.074 1.00 5.34 C ATOM 256 O LYS A 17 5.472 9.196 3.246 1.00 62.11 O ATOM 257 CB LYS A 17 7.774 6.709 3.838 1.00 15.44 C ATOM 258 CG LYS A 17 8.152 5.236 3.837 1.00 52.43 C ATOM 259 CD LYS A 17 9.647 5.066 3.587 1.00 1.14 C ATOM 260 CE LYS A 17 10.090 3.621 3.733 1.00 24.44 C ATOM 261 NZ LYS A 17 10.157 3.200 5.154 1.00 54.34 N ATOM 0 H LYS A 17 6.389 6.500 1.785 1.00 71.54 H new ATOM 0 HA LYS A 17 5.769 6.414 4.585 1.00 61.43 H new ATOM 0 HB2 LYS A 17 8.235 7.187 2.973 1.00 15.44 H new ATOM 0 HB3 LYS A 17 8.200 7.177 4.725 1.00 15.44 H new ATOM 0 HG2 LYS A 17 7.884 4.786 4.793 1.00 52.43 H new ATOM 0 HG3 LYS A 17 7.587 4.710 3.067 1.00 52.43 H new ATOM 0 HD2 LYS A 17 9.889 5.419 2.585 1.00 1.14 H new ATOM 0 HD3 LYS A 17 10.204 5.688 4.287 1.00 1.14 H new ATOM 0 HE2 LYS A 17 9.397 2.974 3.196 1.00 24.44 H new ATOM 0 HE3 LYS A 17 11.069 3.494 3.271 1.00 24.44 H new ATOM 0 HZ1 LYS A 17 10.512 2.224 5.211 1.00 54.34 H new ATOM 0 HZ2 LYS A 17 10.799 3.832 5.674 1.00 54.34 H new ATOM 0 HZ3 LYS A 17 9.207 3.248 5.575 1.00 54.34 H new ATOM 275 N HIS A 18 6.495 8.928 5.224 1.00 61.53 N ATOM 276 CA HIS A 18 6.406 10.322 5.602 1.00 60.44 C ATOM 277 C HIS A 18 7.617 10.702 6.434 1.00 4.23 C ATOM 278 O HIS A 18 8.309 9.827 6.949 1.00 74.51 O ATOM 279 CB HIS A 18 5.072 10.653 6.334 1.00 53.10 C ATOM 280 CG HIS A 18 4.760 9.816 7.554 1.00 4.33 C ATOM 281 ND1 HIS A 18 4.348 10.358 8.754 1.00 64.32 N ATOM 282 CD2 HIS A 18 4.746 8.474 7.733 1.00 73.35 C ATOM 283 CE1 HIS A 18 4.096 9.387 9.612 1.00 71.12 C ATOM 284 NE2 HIS A 18 4.330 8.232 9.020 1.00 61.14 N ATOM 0 H HIS A 18 6.938 8.335 5.925 1.00 61.53 H new ATOM 0 HA HIS A 18 6.403 10.923 4.693 1.00 60.44 H new ATOM 0 HB2 HIS A 18 5.095 11.701 6.633 1.00 53.10 H new ATOM 0 HB3 HIS A 18 4.253 10.542 5.623 1.00 53.10 H new ATOM 0 HD1 HIS A 18 4.253 11.355 8.948 1.00 64.32 H new ATOM 0 HD2 HIS A 18 5.013 7.729 6.998 1.00 73.35 H new ATOM 0 HE1 HIS A 18 3.755 9.517 10.629 1.00 71.12 H new ATOM 0 HE2 HIS A 18 4.220 7.312 9.447 1.00 61.14 H new ATOM 293 N SER A 19 7.875 11.995 6.542 1.00 43.52 N ATOM 294 CA SER A 19 9.041 12.505 7.260 1.00 52.02 C ATOM 295 C SER A 19 9.111 11.961 8.693 1.00 71.14 C ATOM 296 O SER A 19 10.189 11.653 9.200 1.00 64.43 O ATOM 297 CB SER A 19 9.017 14.040 7.268 1.00 55.43 C ATOM 298 OG SER A 19 10.231 14.575 7.770 1.00 64.03 O ATOM 0 H SER A 19 7.286 12.723 6.137 1.00 43.52 H new ATOM 0 HA SER A 19 9.934 12.160 6.739 1.00 52.02 H new ATOM 0 HB2 SER A 19 8.847 14.408 6.256 1.00 55.43 H new ATOM 0 HB3 SER A 19 8.184 14.389 7.878 1.00 55.43 H new ATOM 0 HG SER A 19 10.186 15.554 7.761 1.00 64.03 H new ATOM 304 N GLN A 20 7.965 11.838 9.329 1.00 30.21 N ATOM 305 CA GLN A 20 7.897 11.343 10.687 1.00 61.02 C ATOM 306 C GLN A 20 7.838 9.815 10.692 1.00 40.23 C ATOM 307 O GLN A 20 6.764 9.226 10.784 1.00 74.45 O ATOM 308 CB GLN A 20 6.670 11.923 11.418 1.00 73.21 C ATOM 309 CG GLN A 20 6.480 13.432 11.239 1.00 2.54 C ATOM 310 CD GLN A 20 5.651 13.796 10.003 1.00 53.31 C ATOM 311 OE1 GLN A 20 5.622 13.061 9.004 1.00 63.42 O ATOM 312 NE2 GLN A 20 4.984 14.931 10.060 1.00 31.24 N ATOM 0 H GLN A 20 7.060 12.077 8.922 1.00 30.21 H new ATOM 0 HA GLN A 20 8.796 11.664 11.213 1.00 61.02 H new ATOM 0 HB2 GLN A 20 5.775 11.412 11.062 1.00 73.21 H new ATOM 0 HB3 GLN A 20 6.760 11.704 12.482 1.00 73.21 H new ATOM 0 HG2 GLN A 20 5.994 13.838 12.126 1.00 2.54 H new ATOM 0 HG3 GLN A 20 7.458 13.908 11.165 1.00 2.54 H new ATOM 0 HE21 GLN A 20 5.032 15.509 10.899 1.00 31.24 H new ATOM 0 HE22 GLN A 20 4.420 15.231 9.265 1.00 31.24 H new ATOM 321 N SER A 21 8.983 9.179 10.542 1.00 14.51 N ATOM 322 CA SER A 21 9.050 7.725 10.536 1.00 0.40 C ATOM 323 C SER A 21 10.401 7.239 11.038 1.00 62.20 C ATOM 324 O SER A 21 11.352 8.026 11.152 1.00 2.11 O ATOM 325 CB SER A 21 8.778 7.181 9.129 1.00 25.52 C ATOM 326 OG SER A 21 7.476 7.531 8.699 1.00 13.33 O ATOM 0 H SER A 21 9.883 9.644 10.422 1.00 14.51 H new ATOM 0 HA SER A 21 8.281 7.350 11.211 1.00 0.40 H new ATOM 0 HB2 SER A 21 9.515 7.578 8.432 1.00 25.52 H new ATOM 0 HB3 SER A 21 8.888 6.097 9.126 1.00 25.52 H new ATOM 0 HG SER A 21 7.529 8.287 8.078 1.00 13.33 H new ATOM 332 N ARG A 22 10.482 5.943 11.342 1.00 22.24 N ATOM 333 CA ARG A 22 11.717 5.335 11.831 1.00 50.01 C ATOM 334 C ARG A 22 12.836 5.468 10.808 1.00 65.30 C ATOM 335 O ARG A 22 14.007 5.568 11.165 1.00 43.45 O ATOM 336 CB ARG A 22 11.497 3.858 12.199 1.00 22.54 C ATOM 337 CG ARG A 22 11.013 2.983 11.049 1.00 4.23 C ATOM 338 CD ARG A 22 10.793 1.549 11.506 1.00 34.31 C ATOM 339 NE ARG A 22 10.248 0.700 10.441 1.00 24.23 N ATOM 340 CZ ARG A 22 8.950 0.411 10.305 1.00 42.34 C ATOM 341 NH1 ARG A 22 8.067 0.933 11.145 1.00 3.02 N ATOM 342 NH2 ARG A 22 8.539 -0.397 9.330 1.00 51.34 N ATOM 0 H ARG A 22 9.701 5.292 11.257 1.00 22.24 H new ATOM 0 HA ARG A 22 12.014 5.871 12.732 1.00 50.01 H new ATOM 0 HB2 ARG A 22 12.433 3.449 12.581 1.00 22.54 H new ATOM 0 HB3 ARG A 22 10.771 3.804 13.010 1.00 22.54 H new ATOM 0 HG2 ARG A 22 10.083 3.386 10.647 1.00 4.23 H new ATOM 0 HG3 ARG A 22 11.744 3.002 10.241 1.00 4.23 H new ATOM 0 HD2 ARG A 22 11.739 1.132 11.852 1.00 34.31 H new ATOM 0 HD3 ARG A 22 10.112 1.542 12.357 1.00 34.31 H new ATOM 0 HE ARG A 22 10.900 0.306 9.762 1.00 24.23 H new ATOM 0 HH11 ARG A 22 8.379 1.553 11.892 1.00 3.02 H new ATOM 0 HH12 ARG A 22 7.076 0.714 11.044 1.00 3.02 H new ATOM 0 HH21 ARG A 22 9.216 -0.799 8.682 1.00 51.34 H new ATOM 0 HH22 ARG A 22 7.547 -0.614 9.231 1.00 51.34 H new ATOM 356 N ARG A 23 12.470 5.471 9.539 1.00 44.01 N ATOM 357 CA ARG A 23 13.433 5.629 8.477 1.00 10.35 C ATOM 358 C ARG A 23 12.747 6.114 7.202 1.00 65.30 C ATOM 359 O ARG A 23 12.139 5.323 6.471 1.00 64.11 O ATOM 360 CB ARG A 23 14.176 4.314 8.214 1.00 31.32 C ATOM 361 CG ARG A 23 15.335 4.451 7.241 1.00 21.54 C ATOM 362 CD ARG A 23 16.465 5.286 7.830 1.00 75.51 C ATOM 363 NE ARG A 23 17.506 5.567 6.841 1.00 25.54 N ATOM 364 CZ ARG A 23 18.802 5.284 6.997 1.00 31.43 C ATOM 365 NH1 ARG A 23 19.239 4.721 8.120 1.00 21.33 N ATOM 366 NH2 ARG A 23 19.664 5.571 6.027 1.00 11.21 N ATOM 0 H ARG A 23 11.506 5.365 9.223 1.00 44.01 H new ATOM 0 HA ARG A 23 14.162 6.378 8.788 1.00 10.35 H new ATOM 0 HB2 ARG A 23 14.552 3.924 9.160 1.00 31.32 H new ATOM 0 HB3 ARG A 23 13.471 3.580 7.824 1.00 31.32 H new ATOM 0 HG2 ARG A 23 15.711 3.462 6.980 1.00 21.54 H new ATOM 0 HG3 ARG A 23 14.984 4.912 6.318 1.00 21.54 H new ATOM 0 HD2 ARG A 23 16.063 6.225 8.211 1.00 75.51 H new ATOM 0 HD3 ARG A 23 16.902 4.759 8.678 1.00 75.51 H new ATOM 0 HE ARG A 23 17.221 6.012 5.968 1.00 25.54 H new ATOM 0 HH11 ARG A 23 18.583 4.502 8.870 1.00 21.33 H new ATOM 0 HH12 ARG A 23 20.230 4.508 8.231 1.00 21.33 H new ATOM 0 HH21 ARG A 23 19.335 6.007 5.165 1.00 11.21 H new ATOM 0 HH22 ARG A 23 20.654 5.356 6.144 1.00 11.21 H new ATOM 380 N PRO A 24 12.805 7.427 6.937 1.00 21.33 N ATOM 381 CA PRO A 24 12.234 8.025 5.733 1.00 51.34 C ATOM 382 C PRO A 24 13.157 7.840 4.525 1.00 52.33 C ATOM 383 O PRO A 24 13.402 8.776 3.767 1.00 41.42 O ATOM 384 CB PRO A 24 12.117 9.525 6.091 1.00 60.32 C ATOM 385 CG PRO A 24 12.564 9.643 7.517 1.00 25.33 C ATOM 386 CD PRO A 24 13.411 8.442 7.794 1.00 43.50 C ATOM 0 HA PRO A 24 11.283 7.570 5.456 1.00 51.34 H new ATOM 0 HB2 PRO A 24 12.740 10.133 5.435 1.00 60.32 H new ATOM 0 HB3 PRO A 24 11.092 9.876 5.973 1.00 60.32 H new ATOM 0 HG2 PRO A 24 13.130 10.562 7.672 1.00 25.33 H new ATOM 0 HG3 PRO A 24 11.708 9.678 8.191 1.00 25.33 H new ATOM 0 HD2 PRO A 24 14.457 8.615 7.541 1.00 43.50 H new ATOM 0 HD3 PRO A 24 13.380 8.157 8.846 1.00 43.50 H new ATOM 394 N SER A 25 13.654 6.630 4.354 1.00 34.44 N ATOM 395 CA SER A 25 14.538 6.313 3.253 1.00 51.14 C ATOM 396 C SER A 25 13.932 5.214 2.397 1.00 3.43 C ATOM 397 O SER A 25 13.304 4.284 2.916 1.00 3.32 O ATOM 398 CB SER A 25 15.898 5.873 3.785 1.00 3.01 C ATOM 399 OG SER A 25 16.421 6.835 4.687 1.00 55.31 O ATOM 0 H SER A 25 13.456 5.843 4.972 1.00 34.44 H new ATOM 0 HA SER A 25 14.671 7.204 2.639 1.00 51.14 H new ATOM 0 HB2 SER A 25 15.803 4.910 4.288 1.00 3.01 H new ATOM 0 HB3 SER A 25 16.590 5.732 2.955 1.00 3.01 H new ATOM 0 HG SER A 25 16.502 7.699 4.233 1.00 55.31 H new ATOM 405 N SER A 26 14.104 5.323 1.102 1.00 13.44 N ATOM 406 CA SER A 26 13.567 4.351 0.181 1.00 5.51 C ATOM 407 C SER A 26 14.464 4.239 -1.039 1.00 4.24 C ATOM 408 O SER A 26 15.607 4.717 -1.030 1.00 63.40 O ATOM 409 CB SER A 26 12.184 4.801 -0.255 1.00 14.25 C ATOM 410 OG SER A 26 12.271 5.994 -1.025 1.00 44.24 O ATOM 0 H SER A 26 14.618 6.084 0.658 1.00 13.44 H new ATOM 0 HA SER A 26 13.511 3.379 0.671 1.00 5.51 H new ATOM 0 HB2 SER A 26 11.707 4.016 -0.842 1.00 14.25 H new ATOM 0 HB3 SER A 26 11.557 4.970 0.620 1.00 14.25 H new ATOM 0 HG SER A 26 12.226 6.771 -0.430 1.00 44.24 H new ATOM 415 N TRP A 27 13.954 3.603 -2.086 1.00 54.45 N ATOM 416 CA TRP A 27 14.669 3.526 -3.344 1.00 0.54 C ATOM 417 C TRP A 27 14.249 4.712 -4.208 1.00 12.02 C ATOM 418 O TRP A 27 14.743 4.910 -5.319 1.00 14.24 O ATOM 419 CB TRP A 27 14.375 2.197 -4.068 1.00 21.32 C ATOM 420 CG TRP A 27 13.009 2.122 -4.693 1.00 0.20 C ATOM 421 CD1 TRP A 27 11.819 1.953 -4.053 1.00 53.34 C ATOM 422 CD2 TRP A 27 12.704 2.205 -6.091 1.00 42.12 C ATOM 423 NE1 TRP A 27 10.793 1.938 -4.963 1.00 44.44 N ATOM 424 CE2 TRP A 27 11.310 2.088 -6.222 1.00 54.52 C ATOM 425 CE3 TRP A 27 13.478 2.371 -7.244 1.00 3.55 C ATOM 426 CZ2 TRP A 27 10.671 2.132 -7.459 1.00 45.11 C ATOM 427 CZ3 TRP A 27 12.843 2.413 -8.470 1.00 42.42 C ATOM 428 CH2 TRP A 27 11.452 2.294 -8.569 1.00 52.23 C ATOM 0 H TRP A 27 13.048 3.135 -2.084 1.00 54.45 H new ATOM 0 HA TRP A 27 15.742 3.562 -3.157 1.00 0.54 H new ATOM 0 HB2 TRP A 27 15.126 2.046 -4.844 1.00 21.32 H new ATOM 0 HB3 TRP A 27 14.482 1.378 -3.357 1.00 21.32 H new ATOM 0 HD1 TRP A 27 11.700 1.846 -2.985 1.00 53.34 H new ATOM 0 HE1 TRP A 27 9.804 1.832 -4.738 1.00 44.44 H new ATOM 0 HE3 TRP A 27 14.552 2.465 -7.177 1.00 3.55 H new ATOM 0 HZ2 TRP A 27 9.598 2.041 -7.538 1.00 45.11 H new ATOM 0 HZ3 TRP A 27 13.430 2.540 -9.368 1.00 42.42 H new ATOM 0 HH2 TRP A 27 10.986 2.331 -9.543 1.00 52.23 H new ATOM 439 N ARG A 28 13.324 5.498 -3.669 1.00 63.04 N ATOM 440 CA ARG A 28 12.806 6.667 -4.338 1.00 30.11 C ATOM 441 C ARG A 28 13.553 7.895 -3.876 1.00 32.45 C ATOM 442 O ARG A 28 13.988 8.714 -4.685 1.00 71.43 O ATOM 443 CB ARG A 28 11.314 6.828 -4.033 1.00 44.53 C ATOM 444 CG ARG A 28 10.453 5.651 -4.472 1.00 74.43 C ATOM 445 CD ARG A 28 10.217 5.650 -5.974 1.00 21.32 C ATOM 446 NE ARG A 28 11.459 5.536 -6.744 1.00 31.52 N ATOM 447 CZ ARG A 28 11.596 5.950 -8.004 1.00 12.00 C ATOM 448 NH1 ARG A 28 10.579 6.535 -8.629 1.00 72.01 N ATOM 449 NH2 ARG A 28 12.756 5.795 -8.633 1.00 13.41 N ATOM 0 H ARG A 28 12.915 5.334 -2.749 1.00 63.04 H new ATOM 0 HA ARG A 28 12.940 6.547 -5.413 1.00 30.11 H new ATOM 0 HB2 ARG A 28 11.188 6.975 -2.960 1.00 44.53 H new ATOM 0 HB3 ARG A 28 10.951 7.731 -4.523 1.00 44.53 H new ATOM 0 HG2 ARG A 28 10.936 4.719 -4.180 1.00 74.43 H new ATOM 0 HG3 ARG A 28 9.495 5.689 -3.954 1.00 74.43 H new ATOM 0 HD2 ARG A 28 9.557 4.822 -6.233 1.00 21.32 H new ATOM 0 HD3 ARG A 28 9.702 6.568 -6.257 1.00 21.32 H new ATOM 0 HE ARG A 28 12.268 5.114 -6.288 1.00 31.52 H new ATOM 0 HH11 ARG A 28 9.691 6.668 -8.145 1.00 72.01 H new ATOM 0 HH12 ARG A 28 10.686 6.851 -9.593 1.00 72.01 H new ATOM 0 HH21 ARG A 28 13.543 5.359 -8.152 1.00 13.41 H new ATOM 0 HH22 ARG A 28 12.860 6.112 -9.597 1.00 13.41 H new ATOM 463 N GLN A 29 13.708 8.019 -2.572 1.00 35.31 N ATOM 464 CA GLN A 29 14.399 9.150 -2.005 1.00 20.23 C ATOM 465 C GLN A 29 15.102 8.740 -0.714 1.00 34.02 C ATOM 466 O GLN A 29 14.608 7.893 0.029 1.00 52.25 O ATOM 467 CB GLN A 29 13.401 10.284 -1.755 1.00 53.42 C ATOM 468 CG GLN A 29 14.032 11.655 -1.629 1.00 44.30 C ATOM 469 CD GLN A 29 13.018 12.767 -1.788 1.00 71.13 C ATOM 470 OE1 GLN A 29 12.757 13.226 -2.898 1.00 12.32 O ATOM 471 NE2 GLN A 29 12.452 13.213 -0.690 1.00 34.45 N ATOM 0 H GLN A 29 13.362 7.346 -1.888 1.00 35.31 H new ATOM 0 HA GLN A 29 15.158 9.504 -2.702 1.00 20.23 H new ATOM 0 HB2 GLN A 29 12.679 10.303 -2.571 1.00 53.42 H new ATOM 0 HB3 GLN A 29 12.845 10.068 -0.843 1.00 53.42 H new ATOM 0 HG2 GLN A 29 14.515 11.743 -0.656 1.00 44.30 H new ATOM 0 HG3 GLN A 29 14.811 11.765 -2.383 1.00 44.30 H new ATOM 0 HE21 GLN A 29 12.697 12.804 0.212 1.00 34.45 H new ATOM 0 HE22 GLN A 29 11.768 13.968 -0.739 1.00 34.45 H new ATOM 480 N GLU A 30 16.263 9.322 -0.464 1.00 74.41 N ATOM 481 CA GLU A 30 17.032 9.004 0.734 1.00 15.25 C ATOM 482 C GLU A 30 16.449 9.707 1.946 1.00 40.44 C ATOM 483 O GLU A 30 16.460 9.174 3.058 1.00 3.23 O ATOM 484 CB GLU A 30 18.492 9.411 0.552 1.00 1.01 C ATOM 485 CG GLU A 30 19.180 8.732 -0.617 1.00 51.11 C ATOM 486 CD GLU A 30 20.600 9.207 -0.799 1.00 63.52 C ATOM 487 OE1 GLU A 30 20.805 10.220 -1.493 1.00 12.31 O ATOM 488 OE2 GLU A 30 21.522 8.575 -0.242 1.00 24.21 O ATOM 0 H GLU A 30 16.696 10.017 -1.072 1.00 74.41 H new ATOM 0 HA GLU A 30 16.981 7.927 0.895 1.00 15.25 H new ATOM 0 HB2 GLU A 30 18.543 10.491 0.413 1.00 1.01 H new ATOM 0 HB3 GLU A 30 19.039 9.181 1.466 1.00 1.01 H new ATOM 0 HG2 GLU A 30 19.177 7.653 -0.461 1.00 51.11 H new ATOM 0 HG3 GLU A 30 18.615 8.924 -1.529 1.00 51.11 H new ATOM 495 N LYS A 31 15.942 10.903 1.725 1.00 43.13 N ATOM 496 CA LYS A 31 15.356 11.699 2.783 1.00 40.11 C ATOM 497 C LYS A 31 13.940 12.131 2.420 1.00 44.22 C ATOM 498 O LYS A 31 13.736 13.138 1.744 1.00 13.22 O ATOM 499 CB LYS A 31 16.237 12.923 3.085 1.00 13.55 C ATOM 500 CG LYS A 31 16.740 13.641 1.836 1.00 21.21 C ATOM 501 CD LYS A 31 17.532 14.895 2.174 1.00 31.12 C ATOM 502 CE LYS A 31 16.653 15.960 2.808 1.00 42.34 C ATOM 503 NZ LYS A 31 17.364 17.253 2.941 1.00 43.04 N ATOM 0 H LYS A 31 15.925 11.350 0.808 1.00 43.13 H new ATOM 0 HA LYS A 31 15.300 11.084 3.681 1.00 40.11 H new ATOM 0 HB2 LYS A 31 15.669 13.627 3.694 1.00 13.55 H new ATOM 0 HB3 LYS A 31 17.093 12.605 3.680 1.00 13.55 H new ATOM 0 HG2 LYS A 31 17.366 12.963 1.257 1.00 21.21 H new ATOM 0 HG3 LYS A 31 15.892 13.908 1.206 1.00 21.21 H new ATOM 0 HD2 LYS A 31 18.344 14.640 2.855 1.00 31.12 H new ATOM 0 HD3 LYS A 31 17.989 15.292 1.268 1.00 31.12 H new ATOM 0 HE2 LYS A 31 15.757 16.099 2.203 1.00 42.34 H new ATOM 0 HE3 LYS A 31 16.325 15.623 3.791 1.00 42.34 H new ATOM 0 HZ1 LYS A 31 16.731 17.954 3.378 1.00 43.04 H new ATOM 0 HZ2 LYS A 31 18.206 17.126 3.539 1.00 43.04 H new ATOM 0 HZ3 LYS A 31 17.655 17.588 2.000 1.00 43.04 H new ATOM 517 N ILE A 32 12.973 11.346 2.835 1.00 21.00 N ATOM 518 CA ILE A 32 11.579 11.654 2.587 1.00 34.54 C ATOM 519 C ILE A 32 11.105 12.750 3.538 1.00 72.32 C ATOM 520 O ILE A 32 11.069 12.562 4.756 1.00 3.12 O ATOM 521 CB ILE A 32 10.700 10.388 2.725 1.00 41.20 C ATOM 522 CG1 ILE A 32 11.064 9.391 1.617 1.00 24.25 C ATOM 523 CG2 ILE A 32 9.216 10.737 2.681 1.00 5.44 C ATOM 524 CD1 ILE A 32 10.319 8.082 1.697 1.00 34.01 C ATOM 0 H ILE A 32 13.126 10.480 3.351 1.00 21.00 H new ATOM 0 HA ILE A 32 11.482 12.016 1.564 1.00 34.54 H new ATOM 0 HB ILE A 32 10.894 9.930 3.695 1.00 41.20 H new ATOM 0 HG12 ILE A 32 10.865 9.851 0.649 1.00 24.25 H new ATOM 0 HG13 ILE A 32 12.135 9.191 1.661 1.00 24.25 H new ATOM 0 HG21 ILE A 32 8.625 9.827 2.780 1.00 5.44 H new ATOM 0 HG22 ILE A 32 8.977 11.416 3.500 1.00 5.44 H new ATOM 0 HG23 ILE A 32 8.983 11.219 1.731 1.00 5.44 H new ATOM 0 HD11 ILE A 32 10.633 7.434 0.879 1.00 34.01 H new ATOM 0 HD12 ILE A 32 10.537 7.597 2.649 1.00 34.01 H new ATOM 0 HD13 ILE A 32 9.248 8.268 1.621 1.00 34.01 H new ATOM 536 N THR A 33 10.769 13.896 2.976 1.00 44.12 N ATOM 537 CA THR A 33 10.363 15.043 3.760 1.00 13.32 C ATOM 538 C THR A 33 8.867 15.323 3.641 1.00 2.54 C ATOM 539 O THR A 33 8.363 16.284 4.222 1.00 42.52 O ATOM 540 CB THR A 33 11.156 16.294 3.340 1.00 11.33 C ATOM 541 OG1 THR A 33 11.285 16.323 1.910 1.00 61.34 O ATOM 542 CG2 THR A 33 12.539 16.296 3.973 1.00 53.10 C ATOM 0 H THR A 33 10.770 14.056 1.969 1.00 44.12 H new ATOM 0 HA THR A 33 10.578 14.805 4.802 1.00 13.32 H new ATOM 0 HB THR A 33 10.616 17.177 3.682 1.00 11.33 H new ATOM 0 HG1 THR A 33 11.788 17.120 1.643 1.00 61.34 H new ATOM 0 HG21 THR A 33 13.080 17.189 3.662 1.00 53.10 H new ATOM 0 HG22 THR A 33 12.442 16.290 5.059 1.00 53.10 H new ATOM 0 HG23 THR A 33 13.087 15.410 3.653 1.00 53.10 H new ATOM 550 N ARG A 34 8.160 14.488 2.889 1.00 52.23 N ATOM 551 CA ARG A 34 6.725 14.665 2.729 1.00 5.42 C ATOM 552 C ARG A 34 6.018 14.392 4.057 1.00 31.23 C ATOM 553 O ARG A 34 6.380 13.463 4.786 1.00 50.42 O ATOM 554 CB ARG A 34 6.173 13.741 1.624 1.00 2.43 C ATOM 555 CG ARG A 34 5.965 12.299 2.059 1.00 25.03 C ATOM 556 CD ARG A 34 5.502 11.421 0.910 1.00 0.00 C ATOM 557 NE ARG A 34 6.599 11.065 0.009 1.00 11.22 N ATOM 558 CZ ARG A 34 7.075 9.820 -0.129 1.00 55.43 C ATOM 559 NH1 ARG A 34 6.578 8.837 0.598 1.00 3.21 N ATOM 560 NH2 ARG A 34 8.060 9.565 -0.976 1.00 52.54 N ATOM 0 H ARG A 34 8.552 13.692 2.387 1.00 52.23 H new ATOM 0 HA ARG A 34 6.535 15.695 2.429 1.00 5.42 H new ATOM 0 HB2 ARG A 34 5.223 14.143 1.272 1.00 2.43 H new ATOM 0 HB3 ARG A 34 6.859 13.757 0.777 1.00 2.43 H new ATOM 0 HG2 ARG A 34 6.897 11.904 2.465 1.00 25.03 H new ATOM 0 HG3 ARG A 34 5.228 12.265 2.862 1.00 25.03 H new ATOM 0 HD2 ARG A 34 5.052 10.512 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.726 11.941 0.348 1.00 0.00 H new ATOM 0 HE ARG A 34 7.026 11.807 -0.546 1.00 11.22 H new ATOM 0 HH11 ARG A 34 5.830 9.024 1.266 1.00 3.21 H new ATOM 0 HH12 ARG A 34 6.941 7.890 0.492 1.00 3.21 H new ATOM 0 HH21 ARG A 34 8.464 10.320 -1.531 1.00 52.54 H new ATOM 0 HH22 ARG A 34 8.415 8.614 -1.074 1.00 52.54 H new ATOM 574 N THR A 35 5.044 15.204 4.383 1.00 75.52 N ATOM 575 CA THR A 35 4.309 15.024 5.613 1.00 22.01 C ATOM 576 C THR A 35 3.169 14.009 5.416 1.00 71.43 C ATOM 577 O THR A 35 2.882 13.592 4.285 1.00 23.34 O ATOM 578 CB THR A 35 3.757 16.372 6.147 1.00 41.11 C ATOM 579 OG1 THR A 35 3.204 16.194 7.457 1.00 1.31 O ATOM 580 CG2 THR A 35 2.693 16.934 5.215 1.00 63.32 C ATOM 0 H THR A 35 4.741 15.996 3.816 1.00 75.52 H new ATOM 0 HA THR A 35 4.999 14.632 6.360 1.00 22.01 H new ATOM 0 HB THR A 35 4.584 17.080 6.195 1.00 41.11 H new ATOM 0 HG1 THR A 35 3.006 17.070 7.850 1.00 1.31 H new ATOM 0 HG21 THR A 35 2.323 17.879 5.613 1.00 63.32 H new ATOM 0 HG22 THR A 35 3.125 17.100 4.228 1.00 63.32 H new ATOM 0 HG23 THR A 35 1.868 16.226 5.136 1.00 63.32 H new ATOM 588 N LYS A 36 2.527 13.622 6.512 1.00 31.13 N ATOM 589 CA LYS A 36 1.454 12.631 6.475 1.00 74.45 C ATOM 590 C LYS A 36 0.250 13.157 5.704 1.00 22.21 C ATOM 591 O LYS A 36 -0.412 12.408 4.987 1.00 63.15 O ATOM 592 CB LYS A 36 1.044 12.252 7.894 1.00 21.21 C ATOM 593 CG LYS A 36 -0.027 11.180 7.973 1.00 45.33 C ATOM 594 CD LYS A 36 -0.445 10.938 9.409 1.00 3.04 C ATOM 595 CE LYS A 36 -1.495 9.851 9.509 1.00 62.31 C ATOM 596 NZ LYS A 36 -1.930 9.641 10.910 1.00 41.42 N ATOM 0 H LYS A 36 2.732 13.981 7.444 1.00 31.13 H new ATOM 0 HA LYS A 36 1.825 11.745 5.961 1.00 74.45 H new ATOM 0 HB2 LYS A 36 1.926 11.907 8.434 1.00 21.21 H new ATOM 0 HB3 LYS A 36 0.685 13.145 8.406 1.00 21.21 H new ATOM 0 HG2 LYS A 36 -0.893 11.482 7.384 1.00 45.33 H new ATOM 0 HG3 LYS A 36 0.348 10.253 7.538 1.00 45.33 H new ATOM 0 HD2 LYS A 36 0.427 10.658 10.000 1.00 3.04 H new ATOM 0 HD3 LYS A 36 -0.835 11.862 9.835 1.00 3.04 H new ATOM 0 HE2 LYS A 36 -2.356 10.118 8.896 1.00 62.31 H new ATOM 0 HE3 LYS A 36 -1.095 8.920 9.108 1.00 62.31 H new ATOM 0 HZ1 LYS A 36 -2.649 8.890 10.941 1.00 41.42 H new ATOM 0 HZ2 LYS A 36 -1.113 9.362 11.489 1.00 41.42 H new ATOM 0 HZ3 LYS A 36 -2.334 10.523 11.284 1.00 41.42 H new ATOM 610 N GLU A 37 -0.025 14.445 5.861 1.00 13.01 N ATOM 611 CA GLU A 37 -1.133 15.094 5.170 1.00 33.42 C ATOM 612 C GLU A 37 -1.015 14.892 3.663 1.00 65.44 C ATOM 613 O GLU A 37 -1.974 14.496 3.004 1.00 10.12 O ATOM 614 CB GLU A 37 -1.182 16.597 5.493 1.00 20.32 C ATOM 615 CG GLU A 37 -1.267 16.929 6.982 1.00 61.42 C ATOM 616 CD GLU A 37 0.075 16.859 7.684 1.00 40.33 C ATOM 617 OE1 GLU A 37 0.459 15.770 8.139 1.00 24.21 O ATOM 618 OE2 GLU A 37 0.757 17.897 7.774 1.00 12.33 O ATOM 0 H GLU A 37 0.510 15.067 6.467 1.00 13.01 H new ATOM 0 HA GLU A 37 -2.058 14.635 5.519 1.00 33.42 H new ATOM 0 HB2 GLU A 37 -0.293 17.073 5.079 1.00 20.32 H new ATOM 0 HB3 GLU A 37 -2.043 17.035 4.987 1.00 20.32 H new ATOM 0 HG2 GLU A 37 -1.681 17.930 7.102 1.00 61.42 H new ATOM 0 HG3 GLU A 37 -1.959 16.238 7.463 1.00 61.42 H new ATOM 625 N GLU A 38 0.179 15.147 3.133 1.00 61.44 N ATOM 626 CA GLU A 38 0.443 14.970 1.712 1.00 64.13 C ATOM 627 C GLU A 38 0.261 13.516 1.312 1.00 65.34 C ATOM 628 O GLU A 38 -0.314 13.218 0.265 1.00 31.13 O ATOM 629 CB GLU A 38 1.858 15.427 1.371 1.00 23.44 C ATOM 630 CG GLU A 38 2.067 16.925 1.480 1.00 12.31 C ATOM 631 CD GLU A 38 1.224 17.703 0.494 1.00 44.31 C ATOM 632 OE1 GLU A 38 1.440 17.547 -0.728 1.00 22.51 O ATOM 633 OE2 GLU A 38 0.348 18.475 0.932 1.00 51.02 O ATOM 0 H GLU A 38 0.980 15.478 3.671 1.00 61.44 H new ATOM 0 HA GLU A 38 -0.269 15.580 1.156 1.00 64.13 H new ATOM 0 HB2 GLU A 38 2.561 14.923 2.035 1.00 23.44 H new ATOM 0 HB3 GLU A 38 2.096 15.111 0.355 1.00 23.44 H new ATOM 0 HG2 GLU A 38 1.827 17.249 2.493 1.00 12.31 H new ATOM 0 HG3 GLU A 38 3.119 17.154 1.313 1.00 12.31 H new ATOM 640 N ALA A 39 0.747 12.617 2.159 1.00 55.45 N ATOM 641 CA ALA A 39 0.628 11.191 1.917 1.00 44.41 C ATOM 642 C ALA A 39 -0.839 10.782 1.817 1.00 72.41 C ATOM 643 O ALA A 39 -1.240 10.127 0.861 1.00 54.02 O ATOM 644 CB ALA A 39 1.326 10.407 3.021 1.00 22.52 C ATOM 0 H ALA A 39 1.230 12.856 3.025 1.00 55.45 H new ATOM 0 HA ALA A 39 1.112 10.961 0.968 1.00 44.41 H new ATOM 0 HB1 ALA A 39 1.229 9.339 2.826 1.00 22.52 H new ATOM 0 HB2 ALA A 39 2.382 10.676 3.047 1.00 22.52 H new ATOM 0 HB3 ALA A 39 0.868 10.644 3.981 1.00 22.52 H new ATOM 650 N LEU A 40 -1.636 11.204 2.799 1.00 72.11 N ATOM 651 CA LEU A 40 -3.067 10.885 2.840 1.00 14.20 C ATOM 652 C LEU A 40 -3.780 11.391 1.586 1.00 53.12 C ATOM 653 O LEU A 40 -4.681 10.729 1.055 1.00 44.41 O ATOM 654 CB LEU A 40 -3.711 11.489 4.098 1.00 32.21 C ATOM 655 CG LEU A 40 -5.220 11.260 4.258 1.00 60.15 C ATOM 656 CD1 LEU A 40 -5.539 9.776 4.362 1.00 40.30 C ATOM 657 CD2 LEU A 40 -5.748 12.007 5.474 1.00 61.53 C ATOM 0 H LEU A 40 -1.314 11.772 3.583 1.00 72.11 H new ATOM 0 HA LEU A 40 -3.171 9.801 2.874 1.00 14.20 H new ATOM 0 HB2 LEU A 40 -3.207 11.079 4.973 1.00 32.21 H new ATOM 0 HB3 LEU A 40 -3.525 12.563 4.097 1.00 32.21 H new ATOM 0 HG LEU A 40 -5.717 11.650 3.370 1.00 60.15 H new ATOM 0 HD11 LEU A 40 -6.615 9.642 4.475 1.00 40.30 H new ATOM 0 HD12 LEU A 40 -5.203 9.267 3.459 1.00 40.30 H new ATOM 0 HD13 LEU A 40 -5.028 9.354 5.227 1.00 40.30 H new ATOM 0 HD21 LEU A 40 -6.820 11.833 5.571 1.00 61.53 H new ATOM 0 HD22 LEU A 40 -5.240 11.650 6.370 1.00 61.53 H new ATOM 0 HD23 LEU A 40 -5.564 13.075 5.354 1.00 61.53 H new ATOM 669 N GLU A 41 -3.377 12.560 1.119 1.00 22.42 N ATOM 670 CA GLU A 41 -3.950 13.141 -0.082 1.00 31.30 C ATOM 671 C GLU A 41 -3.620 12.294 -1.301 1.00 24.11 C ATOM 672 O GLU A 41 -4.496 11.997 -2.121 1.00 0.15 O ATOM 673 CB GLU A 41 -3.442 14.563 -0.281 1.00 75.33 C ATOM 674 CG GLU A 41 -3.941 15.544 0.761 1.00 2.43 C ATOM 675 CD GLU A 41 -5.451 15.621 0.813 1.00 1.40 C ATOM 676 OE1 GLU A 41 -6.050 16.246 -0.090 1.00 54.45 O ATOM 677 OE2 GLU A 41 -6.050 15.058 1.755 1.00 33.05 O ATOM 0 H GLU A 41 -2.651 13.128 1.556 1.00 22.42 H new ATOM 0 HA GLU A 41 -5.033 13.168 0.039 1.00 31.30 H new ATOM 0 HB2 GLU A 41 -2.352 14.555 -0.266 1.00 75.33 H new ATOM 0 HB3 GLU A 41 -3.744 14.912 -1.269 1.00 75.33 H new ATOM 0 HG2 GLU A 41 -3.562 15.252 1.740 1.00 2.43 H new ATOM 0 HG3 GLU A 41 -3.538 16.533 0.545 1.00 2.43 H new ATOM 684 N LEU A 42 -2.358 11.901 -1.408 1.00 52.01 N ATOM 685 CA LEU A 42 -1.898 11.083 -2.519 1.00 44.03 C ATOM 686 C LEU A 42 -2.582 9.724 -2.510 1.00 41.31 C ATOM 687 O LEU A 42 -3.040 9.251 -3.545 1.00 35.53 O ATOM 688 CB LEU A 42 -0.377 10.904 -2.466 1.00 65.31 C ATOM 689 CG LEU A 42 0.455 12.184 -2.589 1.00 41.45 C ATOM 690 CD1 LEU A 42 1.939 11.864 -2.498 1.00 23.40 C ATOM 691 CD2 LEU A 42 0.142 12.907 -3.892 1.00 22.22 C ATOM 0 H LEU A 42 -1.631 12.138 -0.733 1.00 52.01 H new ATOM 0 HA LEU A 42 -2.159 11.598 -3.444 1.00 44.03 H new ATOM 0 HB2 LEU A 42 -0.121 10.417 -1.525 1.00 65.31 H new ATOM 0 HB3 LEU A 42 -0.083 10.225 -3.266 1.00 65.31 H new ATOM 0 HG LEU A 42 0.193 12.844 -1.762 1.00 41.45 H new ATOM 0 HD11 LEU A 42 2.516 12.785 -2.587 1.00 23.40 H new ATOM 0 HD12 LEU A 42 2.152 11.394 -1.538 1.00 23.40 H new ATOM 0 HD13 LEU A 42 2.215 11.184 -3.304 1.00 23.40 H new ATOM 0 HD21 LEU A 42 0.744 13.813 -3.959 1.00 22.22 H new ATOM 0 HD22 LEU A 42 0.373 12.255 -4.734 1.00 22.22 H new ATOM 0 HD23 LEU A 42 -0.915 13.171 -3.917 1.00 22.22 H new ATOM 703 N ILE A 43 -2.657 9.111 -1.330 1.00 1.41 N ATOM 704 CA ILE A 43 -3.280 7.797 -1.167 1.00 13.14 C ATOM 705 C ILE A 43 -4.683 7.772 -1.761 1.00 23.12 C ATOM 706 O ILE A 43 -4.945 7.051 -2.726 1.00 13.44 O ATOM 707 CB ILE A 43 -3.357 7.386 0.329 1.00 70.34 C ATOM 708 CG1 ILE A 43 -1.951 7.216 0.921 1.00 43.33 C ATOM 709 CG2 ILE A 43 -4.175 6.110 0.509 1.00 42.20 C ATOM 710 CD1 ILE A 43 -1.119 6.144 0.250 1.00 11.00 C ATOM 0 H ILE A 43 -2.290 9.507 -0.465 1.00 1.41 H new ATOM 0 HA ILE A 43 -2.651 7.084 -1.700 1.00 13.14 H new ATOM 0 HB ILE A 43 -3.862 8.187 0.869 1.00 70.34 H new ATOM 0 HG12 ILE A 43 -1.423 8.167 0.851 1.00 43.33 H new ATOM 0 HG13 ILE A 43 -2.042 6.979 1.981 1.00 43.33 H new ATOM 0 HG21 ILE A 43 -4.211 5.847 1.566 1.00 42.20 H new ATOM 0 HG22 ILE A 43 -5.188 6.272 0.140 1.00 42.20 H new ATOM 0 HG23 ILE A 43 -3.711 5.298 -0.051 1.00 42.20 H new ATOM 0 HD11 ILE A 43 -0.141 6.089 0.729 1.00 11.00 H new ATOM 0 HD12 ILE A 43 -1.622 5.182 0.342 1.00 11.00 H new ATOM 0 HD13 ILE A 43 -0.993 6.388 -0.805 1.00 11.00 H new ATOM 722 N ASN A 44 -5.570 8.582 -1.202 1.00 14.32 N ATOM 723 CA ASN A 44 -6.959 8.622 -1.649 1.00 5.13 C ATOM 724 C ASN A 44 -7.066 9.064 -3.096 1.00 65.34 C ATOM 725 O ASN A 44 -7.951 8.610 -3.827 1.00 41.35 O ATOM 726 CB ASN A 44 -7.800 9.525 -0.747 1.00 41.12 C ATOM 727 CG ASN A 44 -8.045 8.908 0.615 1.00 64.02 C ATOM 728 OD1 ASN A 44 -8.110 7.686 0.752 1.00 12.42 O ATOM 729 ND2 ASN A 44 -8.181 9.739 1.625 1.00 70.34 N ATOM 0 H ASN A 44 -5.355 9.222 -0.437 1.00 14.32 H new ATOM 0 HA ASN A 44 -7.352 7.607 -1.581 1.00 5.13 H new ATOM 0 HB2 ASN A 44 -7.296 10.483 -0.624 1.00 41.12 H new ATOM 0 HB3 ASN A 44 -8.756 9.728 -1.229 1.00 41.12 H new ATOM 0 HD21 ASN A 44 -8.347 9.377 2.564 1.00 70.34 H new ATOM 0 HD22 ASN A 44 -8.120 10.745 1.469 1.00 70.34 H new ATOM 736 N GLY A 45 -6.157 9.932 -3.510 1.00 74.10 N ATOM 737 CA GLY A 45 -6.155 10.405 -4.873 1.00 50.02 C ATOM 738 C GLY A 45 -5.840 9.297 -5.855 1.00 23.03 C ATOM 739 O GLY A 45 -6.610 9.047 -6.786 1.00 31.43 O ATOM 0 H GLY A 45 -5.418 10.318 -2.922 1.00 74.10 H new ATOM 0 HA2 GLY A 45 -7.129 10.834 -5.110 1.00 50.02 H new ATOM 0 HA3 GLY A 45 -5.421 11.204 -4.979 1.00 50.02 H new ATOM 743 N TYR A 46 -4.725 8.609 -5.631 1.00 1.03 N ATOM 744 CA TYR A 46 -4.301 7.535 -6.517 1.00 43.14 C ATOM 745 C TYR A 46 -5.301 6.390 -6.530 1.00 54.51 C ATOM 746 O TYR A 46 -5.593 5.844 -7.587 1.00 63.11 O ATOM 747 CB TYR A 46 -2.899 7.026 -6.157 1.00 41.45 C ATOM 748 CG TYR A 46 -1.800 8.040 -6.411 1.00 73.21 C ATOM 749 CD1 TYR A 46 -1.747 8.750 -7.606 1.00 65.41 C ATOM 750 CD2 TYR A 46 -0.818 8.287 -5.461 1.00 41.22 C ATOM 751 CE1 TYR A 46 -0.752 9.675 -7.844 1.00 0.11 C ATOM 752 CE2 TYR A 46 0.183 9.212 -5.693 1.00 43.23 C ATOM 753 CZ TYR A 46 0.210 9.902 -6.885 1.00 51.12 C ATOM 754 OH TYR A 46 1.199 10.828 -7.118 1.00 62.10 O ATOM 0 H TYR A 46 -4.100 8.777 -4.843 1.00 1.03 H new ATOM 0 HA TYR A 46 -4.258 7.953 -7.523 1.00 43.14 H new ATOM 0 HB2 TYR A 46 -2.884 6.743 -5.105 1.00 41.45 H new ATOM 0 HB3 TYR A 46 -2.690 6.125 -6.733 1.00 41.45 H new ATOM 0 HD1 TYR A 46 -2.499 8.574 -8.361 1.00 65.41 H new ATOM 0 HD2 TYR A 46 -0.836 7.748 -4.525 1.00 41.22 H new ATOM 0 HE1 TYR A 46 -0.727 10.218 -8.777 1.00 0.11 H new ATOM 0 HE2 TYR A 46 0.940 9.393 -4.944 1.00 43.23 H new ATOM 0 HH TYR A 46 1.863 10.450 -7.732 1.00 62.10 H new ATOM 764 N ILE A 47 -5.839 6.040 -5.356 1.00 32.10 N ATOM 765 CA ILE A 47 -6.836 4.966 -5.265 1.00 72.42 C ATOM 766 C ILE A 47 -7.997 5.230 -6.221 1.00 3.33 C ATOM 767 O ILE A 47 -8.403 4.350 -6.983 1.00 61.53 O ATOM 768 CB ILE A 47 -7.389 4.799 -3.819 1.00 51.44 C ATOM 769 CG1 ILE A 47 -6.284 4.318 -2.874 1.00 4.14 C ATOM 770 CG2 ILE A 47 -8.569 3.827 -3.797 1.00 44.04 C ATOM 771 CD1 ILE A 47 -6.729 4.177 -1.432 1.00 14.44 C ATOM 0 H ILE A 47 -5.605 6.478 -4.465 1.00 32.10 H new ATOM 0 HA ILE A 47 -6.330 4.042 -5.544 1.00 72.42 H new ATOM 0 HB ILE A 47 -7.741 5.772 -3.476 1.00 51.44 H new ATOM 0 HG12 ILE A 47 -5.912 3.355 -3.225 1.00 4.14 H new ATOM 0 HG13 ILE A 47 -5.450 5.018 -2.920 1.00 4.14 H new ATOM 0 HG21 ILE A 47 -8.938 3.726 -2.776 1.00 44.04 H new ATOM 0 HG22 ILE A 47 -9.366 4.208 -4.436 1.00 44.04 H new ATOM 0 HG23 ILE A 47 -8.245 2.853 -4.163 1.00 44.04 H new ATOM 0 HD11 ILE A 47 -5.892 3.833 -0.825 1.00 14.44 H new ATOM 0 HD12 ILE A 47 -7.073 5.143 -1.061 1.00 14.44 H new ATOM 0 HD13 ILE A 47 -7.543 3.454 -1.371 1.00 14.44 H new ATOM 783 N GLN A 48 -8.503 6.451 -6.198 1.00 61.32 N ATOM 784 CA GLN A 48 -9.610 6.820 -7.060 1.00 22.33 C ATOM 785 C GLN A 48 -9.186 6.867 -8.523 1.00 72.41 C ATOM 786 O GLN A 48 -9.905 6.399 -9.386 1.00 45.11 O ATOM 787 CB GLN A 48 -10.224 8.156 -6.631 1.00 23.34 C ATOM 788 CG GLN A 48 -10.923 8.099 -5.279 1.00 65.32 C ATOM 789 CD GLN A 48 -12.048 7.075 -5.246 1.00 23.22 C ATOM 790 OE1 GLN A 48 -12.689 6.800 -6.262 1.00 2.32 O ATOM 791 NE2 GLN A 48 -12.298 6.509 -4.081 1.00 74.33 N ATOM 0 H GLN A 48 -8.166 7.200 -5.594 1.00 61.32 H new ATOM 0 HA GLN A 48 -10.372 6.048 -6.958 1.00 22.33 H new ATOM 0 HB2 GLN A 48 -9.439 8.912 -6.594 1.00 23.34 H new ATOM 0 HB3 GLN A 48 -10.940 8.477 -7.388 1.00 23.34 H new ATOM 0 HG2 GLN A 48 -10.193 7.857 -4.506 1.00 65.32 H new ATOM 0 HG3 GLN A 48 -11.325 9.083 -5.040 1.00 65.32 H new ATOM 0 HE21 GLN A 48 -11.746 6.763 -3.262 1.00 74.33 H new ATOM 0 HE22 GLN A 48 -13.044 5.818 -3.999 1.00 74.33 H new ATOM 800 N LYS A 49 -8.000 7.407 -8.794 1.00 14.33 N ATOM 801 CA LYS A 49 -7.508 7.513 -10.169 1.00 64.42 C ATOM 802 C LYS A 49 -7.289 6.135 -10.801 1.00 3.42 C ATOM 803 O LYS A 49 -7.608 5.921 -11.976 1.00 52.02 O ATOM 804 CB LYS A 49 -6.219 8.338 -10.227 1.00 4.12 C ATOM 805 CG LYS A 49 -6.403 9.788 -9.797 1.00 53.42 C ATOM 806 CD LYS A 49 -5.118 10.592 -9.936 1.00 33.20 C ATOM 807 CE LYS A 49 -4.702 10.748 -11.395 1.00 53.23 C ATOM 808 NZ LYS A 49 -5.739 11.445 -12.204 1.00 52.03 N ATOM 0 H LYS A 49 -7.364 7.776 -8.087 1.00 14.33 H new ATOM 0 HA LYS A 49 -8.276 8.026 -10.748 1.00 64.42 H new ATOM 0 HB2 LYS A 49 -5.469 7.871 -9.588 1.00 4.12 H new ATOM 0 HB3 LYS A 49 -5.829 8.316 -11.245 1.00 4.12 H new ATOM 0 HG2 LYS A 49 -7.186 10.248 -10.400 1.00 53.42 H new ATOM 0 HG3 LYS A 49 -6.740 9.819 -8.761 1.00 53.42 H new ATOM 0 HD2 LYS A 49 -5.256 11.577 -9.490 1.00 33.20 H new ATOM 0 HD3 LYS A 49 -4.319 10.100 -9.381 1.00 33.20 H new ATOM 0 HE2 LYS A 49 -3.767 11.306 -11.447 1.00 53.23 H new ATOM 0 HE3 LYS A 49 -4.510 9.764 -11.823 1.00 53.23 H new ATOM 0 HZ1 LYS A 49 -5.355 11.664 -13.145 1.00 52.03 H new ATOM 0 HZ2 LYS A 49 -6.572 10.831 -12.304 1.00 52.03 H new ATOM 0 HZ3 LYS A 49 -6.015 12.328 -11.728 1.00 52.03 H new ATOM 822 N ILE A 50 -6.756 5.204 -10.024 1.00 72.44 N ATOM 823 CA ILE A 50 -6.509 3.855 -10.519 1.00 73.54 C ATOM 824 C ILE A 50 -7.826 3.119 -10.764 1.00 5.15 C ATOM 825 O ILE A 50 -8.007 2.476 -11.801 1.00 64.50 O ATOM 826 CB ILE A 50 -5.626 3.033 -9.541 1.00 32.35 C ATOM 827 CG1 ILE A 50 -4.273 3.723 -9.336 1.00 21.33 C ATOM 828 CG2 ILE A 50 -5.421 1.616 -10.068 1.00 11.43 C ATOM 829 CD1 ILE A 50 -3.393 3.051 -8.302 1.00 33.45 C ATOM 0 H ILE A 50 -6.487 5.355 -9.052 1.00 72.44 H new ATOM 0 HA ILE A 50 -5.970 3.955 -11.461 1.00 73.54 H new ATOM 0 HB ILE A 50 -6.138 2.975 -8.581 1.00 32.35 H new ATOM 0 HG12 ILE A 50 -3.742 3.751 -10.288 1.00 21.33 H new ATOM 0 HG13 ILE A 50 -4.445 4.757 -9.036 1.00 21.33 H new ATOM 0 HG21 ILE A 50 -4.800 1.055 -9.370 1.00 11.43 H new ATOM 0 HG22 ILE A 50 -6.388 1.123 -10.171 1.00 11.43 H new ATOM 0 HG23 ILE A 50 -4.929 1.657 -11.040 1.00 11.43 H new ATOM 0 HD11 ILE A 50 -2.454 3.597 -8.213 1.00 33.45 H new ATOM 0 HD12 ILE A 50 -3.902 3.047 -7.338 1.00 33.45 H new ATOM 0 HD13 ILE A 50 -3.189 2.025 -8.609 1.00 33.45 H new ATOM 841 N LYS A 51 -8.756 3.239 -9.823 1.00 55.35 N ATOM 842 CA LYS A 51 -10.046 2.564 -9.941 1.00 60.20 C ATOM 843 C LYS A 51 -10.982 3.295 -10.904 1.00 60.12 C ATOM 844 O LYS A 51 -12.021 2.767 -11.291 1.00 24.23 O ATOM 845 CB LYS A 51 -10.701 2.385 -8.570 1.00 11.01 C ATOM 846 CG LYS A 51 -9.905 1.477 -7.641 1.00 3.22 C ATOM 847 CD LYS A 51 -10.647 1.183 -6.344 1.00 50.22 C ATOM 848 CE LYS A 51 -11.940 0.422 -6.598 1.00 4.34 C ATOM 849 NZ LYS A 51 -12.549 -0.078 -5.340 1.00 32.00 N ATOM 0 H LYS A 51 -8.643 3.794 -8.974 1.00 55.35 H new ATOM 0 HA LYS A 51 -9.857 1.575 -10.358 1.00 60.20 H new ATOM 0 HB2 LYS A 51 -10.819 3.361 -8.100 1.00 11.01 H new ATOM 0 HB3 LYS A 51 -11.701 1.972 -8.703 1.00 11.01 H new ATOM 0 HG2 LYS A 51 -9.687 0.540 -8.152 1.00 3.22 H new ATOM 0 HG3 LYS A 51 -8.948 1.945 -7.411 1.00 3.22 H new ATOM 0 HD2 LYS A 51 -10.006 0.601 -5.681 1.00 50.22 H new ATOM 0 HD3 LYS A 51 -10.870 2.119 -5.831 1.00 50.22 H new ATOM 0 HE2 LYS A 51 -12.649 1.073 -7.110 1.00 4.34 H new ATOM 0 HE3 LYS A 51 -11.741 -0.418 -7.263 1.00 4.34 H new ATOM 0 HZ1 LYS A 51 -13.484 -0.486 -5.545 1.00 32.00 H new ATOM 0 HZ2 LYS A 51 -11.936 -0.808 -4.924 1.00 32.00 H new ATOM 0 HZ3 LYS A 51 -12.654 0.709 -4.668 1.00 32.00 H new ATOM 863 N SER A 52 -10.610 4.508 -11.284 1.00 22.45 N ATOM 864 CA SER A 52 -11.380 5.276 -12.250 1.00 41.12 C ATOM 865 C SER A 52 -11.007 4.836 -13.658 1.00 62.45 C ATOM 866 O SER A 52 -11.719 5.121 -14.624 1.00 22.21 O ATOM 867 CB SER A 52 -11.110 6.779 -12.079 1.00 23.33 C ATOM 868 OG SER A 52 -11.975 7.567 -12.889 1.00 21.22 O ATOM 0 H SER A 52 -9.777 4.983 -10.937 1.00 22.45 H new ATOM 0 HA SER A 52 -12.442 5.096 -12.082 1.00 41.12 H new ATOM 0 HB2 SER A 52 -11.241 7.055 -11.033 1.00 23.33 H new ATOM 0 HB3 SER A 52 -10.073 6.994 -12.338 1.00 23.33 H new ATOM 0 HG SER A 52 -11.775 8.517 -12.753 1.00 21.22 H new ATOM 874 N GLY A 53 -9.888 4.134 -13.763 1.00 33.34 N ATOM 875 CA GLY A 53 -9.425 3.665 -15.043 1.00 41.15 C ATOM 876 C GLY A 53 -8.541 4.675 -15.738 1.00 25.33 C ATOM 877 O GLY A 53 -8.538 4.766 -16.967 1.00 1.33 O ATOM 0 H GLY A 53 -9.292 3.882 -12.975 1.00 33.34 H new ATOM 0 HA2 GLY A 53 -8.874 2.734 -14.909 1.00 41.15 H new ATOM 0 HA3 GLY A 53 -10.283 3.439 -15.677 1.00 41.15 H new ATOM 881 N GLU A 54 -7.803 5.449 -14.960 1.00 44.04 N ATOM 882 CA GLU A 54 -6.904 6.438 -15.526 1.00 52.41 C ATOM 883 C GLU A 54 -5.501 5.880 -15.648 1.00 53.13 C ATOM 884 O GLU A 54 -5.057 5.508 -16.734 1.00 33.12 O ATOM 885 CB GLU A 54 -6.872 7.706 -14.680 1.00 33.21 C ATOM 886 CG GLU A 54 -8.198 8.415 -14.565 1.00 31.32 C ATOM 887 CD GLU A 54 -8.047 9.787 -13.962 1.00 12.11 C ATOM 888 OE1 GLU A 54 -7.905 9.887 -12.729 1.00 3.42 O ATOM 889 OE2 GLU A 54 -8.049 10.775 -14.722 1.00 23.14 O ATOM 0 H GLU A 54 -7.809 5.412 -13.941 1.00 44.04 H new ATOM 0 HA GLU A 54 -7.280 6.688 -16.518 1.00 52.41 H new ATOM 0 HB2 GLU A 54 -6.523 7.451 -13.679 1.00 33.21 H new ATOM 0 HB3 GLU A 54 -6.142 8.394 -15.107 1.00 33.21 H new ATOM 0 HG2 GLU A 54 -8.652 8.500 -15.552 1.00 31.32 H new ATOM 0 HG3 GLU A 54 -8.876 7.821 -13.952 1.00 31.32 H new ATOM 896 N GLU A 55 -4.811 5.811 -14.527 1.00 10.30 N ATOM 897 CA GLU A 55 -3.445 5.336 -14.502 1.00 64.14 C ATOM 898 C GLU A 55 -3.404 3.848 -14.187 1.00 43.20 C ATOM 899 O GLU A 55 -4.445 3.201 -14.038 1.00 34.40 O ATOM 900 CB GLU A 55 -2.636 6.111 -13.459 1.00 43.13 C ATOM 901 CG GLU A 55 -2.705 7.625 -13.613 1.00 1.00 C ATOM 902 CD GLU A 55 -2.223 8.102 -14.967 1.00 51.24 C ATOM 903 OE1 GLU A 55 -0.995 8.165 -15.176 1.00 32.35 O ATOM 904 OE2 GLU A 55 -3.073 8.424 -15.826 1.00 61.43 O ATOM 0 H GLU A 55 -5.179 6.081 -13.615 1.00 10.30 H new ATOM 0 HA GLU A 55 -3.006 5.498 -15.486 1.00 64.14 H new ATOM 0 HB2 GLU A 55 -2.993 5.842 -12.465 1.00 43.13 H new ATOM 0 HB3 GLU A 55 -1.594 5.798 -13.519 1.00 43.13 H new ATOM 0 HG2 GLU A 55 -3.733 7.954 -13.462 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -2.103 8.092 -12.833 1.00 1.00 H new ATOM 911 N ASP A 56 -2.208 3.311 -14.093 1.00 50.13 N ATOM 912 CA ASP A 56 -2.021 1.909 -13.775 1.00 74.44 C ATOM 913 C ASP A 56 -1.376 1.773 -12.414 1.00 23.01 C ATOM 914 O ASP A 56 -0.506 2.573 -12.051 1.00 2.54 O ATOM 915 CB ASP A 56 -1.152 1.219 -14.834 1.00 11.32 C ATOM 916 CG ASP A 56 -1.784 1.221 -16.208 1.00 31.20 C ATOM 917 OD1 ASP A 56 -2.654 0.369 -16.466 1.00 45.44 O ATOM 918 OD2 ASP A 56 -1.410 2.072 -17.041 1.00 13.01 O ATOM 0 H ASP A 56 -1.341 3.829 -14.234 1.00 50.13 H new ATOM 0 HA ASP A 56 -2.998 1.426 -13.764 1.00 74.44 H new ATOM 0 HB2 ASP A 56 -0.184 1.719 -14.884 1.00 11.32 H new ATOM 0 HB3 ASP A 56 -0.964 0.190 -14.528 1.00 11.32 H new ATOM 923 N PHE A 57 -1.792 0.763 -11.665 1.00 74.53 N ATOM 924 CA PHE A 57 -1.264 0.525 -10.328 1.00 40.23 C ATOM 925 C PHE A 57 0.230 0.250 -10.401 1.00 43.21 C ATOM 926 O PHE A 57 1.017 0.842 -9.668 1.00 22.00 O ATOM 927 CB PHE A 57 -1.992 -0.662 -9.671 1.00 72.14 C ATOM 928 CG PHE A 57 -1.628 -0.895 -8.222 1.00 0.41 C ATOM 929 CD1 PHE A 57 -0.505 -1.636 -7.879 1.00 31.02 C ATOM 930 CD2 PHE A 57 -2.416 -0.379 -7.205 1.00 55.42 C ATOM 931 CE1 PHE A 57 -0.177 -1.853 -6.555 1.00 21.13 C ATOM 932 CE2 PHE A 57 -2.092 -0.594 -5.879 1.00 32.03 C ATOM 933 CZ PHE A 57 -0.972 -1.332 -5.554 1.00 23.11 C ATOM 0 H PHE A 57 -2.499 0.090 -11.962 1.00 74.53 H new ATOM 0 HA PHE A 57 -1.430 1.414 -9.720 1.00 40.23 H new ATOM 0 HB2 PHE A 57 -3.067 -0.496 -9.741 1.00 72.14 H new ATOM 0 HB3 PHE A 57 -1.771 -1.566 -10.238 1.00 72.14 H new ATOM 0 HD1 PHE A 57 0.120 -2.048 -8.657 1.00 31.02 H new ATOM 0 HD2 PHE A 57 -3.295 0.199 -7.452 1.00 55.42 H new ATOM 0 HE1 PHE A 57 0.701 -2.430 -6.303 1.00 21.13 H new ATOM 0 HE2 PHE A 57 -2.715 -0.185 -5.097 1.00 32.03 H new ATOM 0 HZ PHE A 57 -0.718 -1.502 -4.518 1.00 23.11 H new ATOM 943 N GLU A 58 0.609 -0.634 -11.313 1.00 54.42 N ATOM 944 CA GLU A 58 2.005 -1.013 -11.498 1.00 71.42 C ATOM 945 C GLU A 58 2.858 0.189 -11.897 1.00 34.34 C ATOM 946 O GLU A 58 3.989 0.346 -11.428 1.00 13.11 O ATOM 947 CB GLU A 58 2.114 -2.102 -12.559 1.00 53.42 C ATOM 948 CG GLU A 58 1.364 -3.372 -12.207 1.00 20.34 C ATOM 949 CD GLU A 58 1.383 -4.384 -13.326 1.00 42.41 C ATOM 950 OE1 GLU A 58 0.473 -4.353 -14.172 1.00 73.43 O ATOM 951 OE2 GLU A 58 2.306 -5.217 -13.364 1.00 12.34 O ATOM 0 H GLU A 58 -0.038 -1.107 -11.943 1.00 54.42 H new ATOM 0 HA GLU A 58 2.379 -1.394 -10.548 1.00 71.42 H new ATOM 0 HB2 GLU A 58 1.733 -1.716 -13.504 1.00 53.42 H new ATOM 0 HB3 GLU A 58 3.166 -2.343 -12.714 1.00 53.42 H new ATOM 0 HG2 GLU A 58 1.805 -3.815 -11.314 1.00 20.34 H new ATOM 0 HG3 GLU A 58 0.331 -3.124 -11.963 1.00 20.34 H new ATOM 958 N SER A 59 2.309 1.035 -12.751 1.00 31.14 N ATOM 959 CA SER A 59 3.013 2.212 -13.220 1.00 53.54 C ATOM 960 C SER A 59 3.246 3.205 -12.083 1.00 74.23 C ATOM 961 O SER A 59 4.365 3.685 -11.886 1.00 10.21 O ATOM 962 CB SER A 59 2.235 2.862 -14.356 1.00 5.02 C ATOM 963 OG SER A 59 2.032 1.934 -15.407 1.00 63.13 O ATOM 0 H SER A 59 1.370 0.926 -13.135 1.00 31.14 H new ATOM 0 HA SER A 59 3.990 1.905 -13.593 1.00 53.54 H new ATOM 0 HB2 SER A 59 1.274 3.222 -13.989 1.00 5.02 H new ATOM 0 HB3 SER A 59 2.779 3.730 -14.728 1.00 5.02 H new ATOM 0 HG SER A 59 1.529 2.364 -16.130 1.00 63.13 H new ATOM 969 N LEU A 60 2.197 3.491 -11.319 1.00 25.32 N ATOM 970 CA LEU A 60 2.310 4.416 -10.202 1.00 0.44 C ATOM 971 C LEU A 60 3.194 3.829 -9.110 1.00 44.32 C ATOM 972 O LEU A 60 3.920 4.554 -8.431 1.00 25.44 O ATOM 973 CB LEU A 60 0.930 4.775 -9.644 1.00 23.30 C ATOM 974 CG LEU A 60 -0.006 5.514 -10.608 1.00 22.44 C ATOM 975 CD1 LEU A 60 -1.316 5.856 -9.922 1.00 45.13 C ATOM 976 CD2 LEU A 60 0.657 6.775 -11.148 1.00 73.55 C ATOM 0 H LEU A 60 1.266 3.097 -11.453 1.00 25.32 H new ATOM 0 HA LEU A 60 2.774 5.332 -10.567 1.00 0.44 H new ATOM 0 HB2 LEU A 60 0.439 3.857 -9.322 1.00 23.30 H new ATOM 0 HB3 LEU A 60 1.067 5.392 -8.756 1.00 23.30 H new ATOM 0 HG LEU A 60 -0.217 4.853 -11.449 1.00 22.44 H new ATOM 0 HD11 LEU A 60 -1.967 6.380 -10.622 1.00 45.13 H new ATOM 0 HD12 LEU A 60 -1.803 4.939 -9.590 1.00 45.13 H new ATOM 0 HD13 LEU A 60 -1.120 6.495 -9.061 1.00 45.13 H new ATOM 0 HD21 LEU A 60 -0.026 7.282 -11.829 1.00 73.55 H new ATOM 0 HD22 LEU A 60 0.903 7.440 -10.320 1.00 73.55 H new ATOM 0 HD23 LEU A 60 1.569 6.507 -11.681 1.00 73.55 H new ATOM 988 N ALA A 61 3.140 2.512 -8.958 1.00 22.22 N ATOM 989 CA ALA A 61 3.966 1.816 -7.984 1.00 64.51 C ATOM 990 C ALA A 61 5.432 2.021 -8.289 1.00 40.40 C ATOM 991 O ALA A 61 6.225 2.311 -7.404 1.00 11.32 O ATOM 992 CB ALA A 61 3.639 0.327 -7.968 1.00 61.30 C ATOM 0 H ALA A 61 2.528 1.903 -9.501 1.00 22.22 H new ATOM 0 HA ALA A 61 3.751 2.231 -6.999 1.00 64.51 H new ATOM 0 HB1 ALA A 61 4.268 -0.176 -7.233 1.00 61.30 H new ATOM 0 HB2 ALA A 61 2.590 0.188 -7.705 1.00 61.30 H new ATOM 0 HB3 ALA A 61 3.825 -0.097 -8.955 1.00 61.30 H new ATOM 998 N SER A 62 5.770 1.912 -9.554 1.00 12.21 N ATOM 999 CA SER A 62 7.142 2.038 -10.003 1.00 45.20 C ATOM 1000 C SER A 62 7.648 3.485 -9.905 1.00 40.01 C ATOM 1001 O SER A 62 8.829 3.752 -10.122 1.00 52.12 O ATOM 1002 CB SER A 62 7.251 1.539 -11.440 1.00 53.11 C ATOM 1003 OG SER A 62 6.703 0.228 -11.567 1.00 74.30 O ATOM 0 H SER A 62 5.102 1.733 -10.303 1.00 12.21 H new ATOM 0 HA SER A 62 7.769 1.431 -9.350 1.00 45.20 H new ATOM 0 HB2 SER A 62 6.727 2.223 -12.107 1.00 53.11 H new ATOM 0 HB3 SER A 62 8.296 1.532 -11.748 1.00 53.11 H new ATOM 0 HG SER A 62 5.728 0.272 -11.483 1.00 74.30 H new ATOM 1009 N GLN A 63 6.757 4.413 -9.587 1.00 71.41 N ATOM 1010 CA GLN A 63 7.139 5.810 -9.491 1.00 74.54 C ATOM 1011 C GLN A 63 7.027 6.361 -8.073 1.00 61.10 C ATOM 1012 O GLN A 63 7.945 7.021 -7.592 1.00 2.34 O ATOM 1013 CB GLN A 63 6.304 6.675 -10.435 1.00 44.24 C ATOM 1014 CG GLN A 63 6.535 6.397 -11.909 1.00 63.25 C ATOM 1015 CD GLN A 63 5.884 7.437 -12.802 1.00 70.31 C ATOM 1016 OE1 GLN A 63 4.774 7.998 -12.353 1.00 33.34 O flip ATOM 1017 NE2 GLN A 63 6.377 7.731 -13.888 1.00 0.21 N flip ATOM 0 H GLN A 63 5.774 4.224 -9.393 1.00 71.41 H new ATOM 0 HA GLN A 63 8.188 5.852 -9.783 1.00 74.54 H new ATOM 0 HB2 GLN A 63 5.248 6.522 -10.210 1.00 44.24 H new ATOM 0 HB3 GLN A 63 6.524 7.724 -10.237 1.00 44.24 H new ATOM 0 HG2 GLN A 63 7.606 6.371 -12.108 1.00 63.25 H new ATOM 0 HG3 GLN A 63 6.141 5.411 -12.156 1.00 63.25 H new ATOM 0 HE21 GLN A 63 7.235 7.275 -14.199 1.00 0.21 H new ATOM 0 HE22 GLN A 63 5.928 8.431 -14.479 1.00 0.21 H new ATOM 1026 N PHE A 64 5.912 6.087 -7.405 1.00 55.11 N ATOM 1027 CA PHE A 64 5.646 6.702 -6.106 1.00 2.21 C ATOM 1028 C PHE A 64 5.784 5.744 -4.920 1.00 11.53 C ATOM 1029 O PHE A 64 5.925 6.193 -3.788 1.00 24.35 O ATOM 1030 CB PHE A 64 4.260 7.349 -6.108 1.00 11.23 C ATOM 1031 CG PHE A 64 4.084 8.367 -7.201 1.00 14.05 C ATOM 1032 CD1 PHE A 64 4.668 9.618 -7.099 1.00 40.24 C ATOM 1033 CD2 PHE A 64 3.343 8.068 -8.333 1.00 44.52 C ATOM 1034 CE1 PHE A 64 4.518 10.552 -8.104 1.00 21.42 C ATOM 1035 CE2 PHE A 64 3.187 8.999 -9.342 1.00 41.31 C ATOM 1036 CZ PHE A 64 3.776 10.243 -9.227 1.00 2.14 C ATOM 0 H PHE A 64 5.185 5.452 -7.734 1.00 55.11 H new ATOM 0 HA PHE A 64 6.417 7.460 -5.966 1.00 2.21 H new ATOM 0 HB2 PHE A 64 3.503 6.572 -6.218 1.00 11.23 H new ATOM 0 HB3 PHE A 64 4.088 7.827 -5.144 1.00 11.23 H new ATOM 0 HD1 PHE A 64 5.248 9.866 -6.222 1.00 40.24 H new ATOM 0 HD2 PHE A 64 2.882 7.096 -8.428 1.00 44.52 H new ATOM 0 HE1 PHE A 64 4.980 11.524 -8.012 1.00 21.42 H new ATOM 0 HE2 PHE A 64 2.606 8.754 -10.219 1.00 41.31 H new ATOM 0 HZ PHE A 64 3.656 10.973 -10.014 1.00 2.14 H new ATOM 1046 N SER A 65 5.732 4.442 -5.160 1.00 44.12 N ATOM 1047 CA SER A 65 5.860 3.490 -4.063 1.00 32.11 C ATOM 1048 C SER A 65 7.301 3.459 -3.548 1.00 42.11 C ATOM 1049 O SER A 65 8.230 3.111 -4.284 1.00 55.42 O ATOM 1050 CB SER A 65 5.414 2.091 -4.499 1.00 33.50 C ATOM 1051 OG SER A 65 5.289 1.209 -3.387 1.00 33.21 O ATOM 0 H SER A 65 5.605 4.026 -6.082 1.00 44.12 H new ATOM 0 HA SER A 65 5.209 3.815 -3.252 1.00 32.11 H new ATOM 0 HB2 SER A 65 4.459 2.159 -5.019 1.00 33.50 H new ATOM 0 HB3 SER A 65 6.135 1.683 -5.208 1.00 33.50 H new ATOM 0 HG SER A 65 5.001 0.326 -3.700 1.00 33.21 H new ATOM 1057 N ASP A 66 7.473 3.829 -2.280 1.00 10.22 N ATOM 1058 CA ASP A 66 8.793 3.865 -1.641 1.00 62.11 C ATOM 1059 C ASP A 66 9.332 2.456 -1.417 1.00 24.02 C ATOM 1060 O ASP A 66 10.523 2.265 -1.139 1.00 25.41 O ATOM 1061 CB ASP A 66 8.724 4.584 -0.281 1.00 35.45 C ATOM 1062 CG ASP A 66 8.215 6.012 -0.357 1.00 45.33 C ATOM 1063 OD1 ASP A 66 8.760 6.815 -1.140 1.00 42.02 O ATOM 1064 OD2 ASP A 66 7.278 6.343 0.396 1.00 2.21 O ATOM 0 H ASP A 66 6.708 4.111 -1.667 1.00 10.22 H new ATOM 0 HA ASP A 66 9.460 4.408 -2.311 1.00 62.11 H new ATOM 0 HB2 ASP A 66 8.077 4.015 0.386 1.00 35.45 H new ATOM 0 HB3 ASP A 66 9.718 4.588 0.166 1.00 35.45 H new ATOM 1069 N CYS A 67 8.458 1.474 -1.531 1.00 52.40 N ATOM 1070 CA CYS A 67 8.824 0.092 -1.290 1.00 51.11 C ATOM 1071 C CYS A 67 9.568 -0.501 -2.486 1.00 73.31 C ATOM 1072 O CYS A 67 9.210 -0.252 -3.642 1.00 32.34 O ATOM 1073 CB CYS A 67 7.580 -0.736 -0.978 1.00 13.04 C ATOM 1074 SG CYS A 67 7.929 -2.400 -0.381 1.00 43.11 S ATOM 0 H CYS A 67 7.481 1.610 -1.791 1.00 52.40 H new ATOM 0 HA CYS A 67 9.494 0.066 -0.431 1.00 51.11 H new ATOM 0 HB2 CYS A 67 6.986 -0.211 -0.230 1.00 13.04 H new ATOM 0 HB3 CYS A 67 6.969 -0.806 -1.878 1.00 13.04 H new ATOM 0 HG CYS A 67 7.424 -2.549 0.808 1.00 43.11 H new ATOM 1080 N SER A 68 10.590 -1.306 -2.195 1.00 3.20 N ATOM 1081 CA SER A 68 11.417 -1.934 -3.222 1.00 45.04 C ATOM 1082 C SER A 68 10.608 -2.923 -4.072 1.00 51.33 C ATOM 1083 O SER A 68 11.043 -3.326 -5.152 1.00 53.41 O ATOM 1084 CB SER A 68 12.592 -2.651 -2.565 1.00 24.53 C ATOM 1085 OG SER A 68 13.215 -1.816 -1.599 1.00 14.33 O ATOM 0 H SER A 68 10.867 -1.540 -1.242 1.00 3.20 H new ATOM 0 HA SER A 68 11.786 -1.152 -3.885 1.00 45.04 H new ATOM 0 HB2 SER A 68 12.245 -3.568 -2.090 1.00 24.53 H new ATOM 0 HB3 SER A 68 13.318 -2.941 -3.325 1.00 24.53 H new ATOM 0 HG SER A 68 13.965 -2.295 -1.188 1.00 14.33 H new ATOM 1091 N SER A 69 9.425 -3.301 -3.582 1.00 34.32 N ATOM 1092 CA SER A 69 8.550 -4.223 -4.301 1.00 2.12 C ATOM 1093 C SER A 69 8.154 -3.652 -5.659 1.00 65.34 C ATOM 1094 O SER A 69 7.745 -4.386 -6.552 1.00 55.21 O ATOM 1095 CB SER A 69 7.292 -4.496 -3.489 1.00 43.11 C ATOM 1096 OG SER A 69 7.609 -4.883 -2.166 1.00 50.41 O ATOM 0 H SER A 69 9.053 -2.981 -2.688 1.00 34.32 H new ATOM 0 HA SER A 69 9.098 -5.153 -4.454 1.00 2.12 H new ATOM 0 HB2 SER A 69 6.668 -3.602 -3.469 1.00 43.11 H new ATOM 0 HB3 SER A 69 6.709 -5.281 -3.970 1.00 43.11 H new ATOM 0 HG SER A 69 7.789 -4.085 -1.626 1.00 50.41 H new ATOM 1102 N ALA A 70 8.291 -2.336 -5.805 1.00 21.40 N ATOM 1103 CA ALA A 70 7.939 -1.643 -7.036 1.00 33.03 C ATOM 1104 C ALA A 70 8.767 -2.141 -8.218 1.00 75.33 C ATOM 1105 O ALA A 70 8.348 -2.037 -9.368 1.00 2.24 O ATOM 1106 CB ALA A 70 8.119 -0.152 -6.854 1.00 31.54 C ATOM 0 H ALA A 70 8.649 -1.723 -5.072 1.00 21.40 H new ATOM 0 HA ALA A 70 6.893 -1.855 -7.258 1.00 33.03 H new ATOM 0 HB1 ALA A 70 7.854 0.362 -7.778 1.00 31.54 H new ATOM 0 HB2 ALA A 70 7.474 0.197 -6.047 1.00 31.54 H new ATOM 0 HB3 ALA A 70 9.159 0.061 -6.605 1.00 31.54 H new ATOM 1112 N LYS A 71 9.939 -2.694 -7.923 1.00 70.52 N ATOM 1113 CA LYS A 71 10.816 -3.238 -8.955 1.00 61.20 C ATOM 1114 C LYS A 71 10.256 -4.562 -9.471 1.00 22.13 C ATOM 1115 O LYS A 71 10.610 -5.028 -10.557 1.00 23.25 O ATOM 1116 CB LYS A 71 12.224 -3.449 -8.392 1.00 31.23 C ATOM 1117 CG LYS A 71 12.840 -2.199 -7.771 1.00 34.40 C ATOM 1118 CD LYS A 71 13.058 -1.097 -8.799 1.00 42.50 C ATOM 1119 CE LYS A 71 14.136 -1.465 -9.809 1.00 70.55 C ATOM 1120 NZ LYS A 71 15.459 -1.670 -9.164 1.00 30.33 N ATOM 0 H LYS A 71 10.305 -2.778 -6.975 1.00 70.52 H new ATOM 0 HA LYS A 71 10.870 -2.529 -9.781 1.00 61.20 H new ATOM 0 HB2 LYS A 71 12.188 -4.236 -7.639 1.00 31.23 H new ATOM 0 HB3 LYS A 71 12.874 -3.803 -9.192 1.00 31.23 H new ATOM 0 HG2 LYS A 71 12.190 -1.831 -6.978 1.00 34.40 H new ATOM 0 HG3 LYS A 71 13.793 -2.456 -7.308 1.00 34.40 H new ATOM 0 HD2 LYS A 71 12.123 -0.899 -9.323 1.00 42.50 H new ATOM 0 HD3 LYS A 71 13.338 -0.175 -8.289 1.00 42.50 H new ATOM 0 HE2 LYS A 71 13.845 -2.374 -10.335 1.00 70.55 H new ATOM 0 HE3 LYS A 71 14.216 -0.676 -10.557 1.00 70.55 H new ATOM 0 HZ1 LYS A 71 16.204 -1.666 -9.890 1.00 30.33 H new ATOM 0 HZ2 LYS A 71 15.636 -0.904 -8.483 1.00 30.33 H new ATOM 0 HZ3 LYS A 71 15.465 -2.584 -8.667 1.00 30.33 H new ATOM 1134 N ALA A 72 9.373 -5.150 -8.681 1.00 10.23 N ATOM 1135 CA ALA A 72 8.730 -6.404 -9.020 1.00 14.13 C ATOM 1136 C ALA A 72 7.252 -6.165 -9.315 1.00 4.11 C ATOM 1137 O ALA A 72 6.405 -7.034 -9.073 1.00 40.44 O ATOM 1138 CB ALA A 72 8.893 -7.396 -7.877 1.00 73.01 C ATOM 0 H ALA A 72 9.082 -4.767 -7.782 1.00 10.23 H new ATOM 0 HA ALA A 72 9.200 -6.821 -9.911 1.00 14.13 H new ATOM 0 HB1 ALA A 72 8.407 -8.336 -8.139 1.00 73.01 H new ATOM 0 HB2 ALA A 72 9.953 -7.573 -7.697 1.00 73.01 H new ATOM 0 HB3 ALA A 72 8.435 -6.990 -6.975 1.00 73.01 H new ATOM 1144 N ARG A 73 6.954 -4.965 -9.833 1.00 4.14 N ATOM 1145 CA ARG A 73 5.589 -4.558 -10.193 1.00 3.12 C ATOM 1146 C ARG A 73 4.700 -4.346 -8.967 1.00 41.34 C ATOM 1147 O ARG A 73 3.483 -4.221 -9.087 1.00 72.02 O ATOM 1148 CB ARG A 73 4.953 -5.558 -11.171 1.00 33.44 C ATOM 1149 CG ARG A 73 5.551 -5.507 -12.568 1.00 0.24 C ATOM 1150 CD ARG A 73 5.286 -4.160 -13.215 1.00 55.22 C ATOM 1151 NE ARG A 73 5.836 -4.063 -14.563 1.00 5.33 N ATOM 1152 CZ ARG A 73 5.100 -4.070 -15.671 1.00 75.22 C ATOM 1153 NH1 ARG A 73 3.796 -4.331 -15.608 1.00 43.11 N ATOM 1154 NH2 ARG A 73 5.673 -3.852 -16.847 1.00 51.03 N ATOM 0 H ARG A 73 7.656 -4.247 -10.015 1.00 4.14 H new ATOM 0 HA ARG A 73 5.670 -3.594 -10.694 1.00 3.12 H new ATOM 0 HB2 ARG A 73 5.067 -6.566 -10.772 1.00 33.44 H new ATOM 0 HB3 ARG A 73 3.883 -5.360 -11.235 1.00 33.44 H new ATOM 0 HG2 ARG A 73 6.625 -5.686 -12.516 1.00 0.24 H new ATOM 0 HG3 ARG A 73 5.124 -6.301 -13.181 1.00 0.24 H new ATOM 0 HD2 ARG A 73 4.211 -3.985 -13.253 1.00 55.22 H new ATOM 0 HD3 ARG A 73 5.715 -3.373 -12.595 1.00 55.22 H new ATOM 0 HE ARG A 73 6.848 -3.985 -14.662 1.00 5.33 H new ATOM 0 HH11 ARG A 73 3.358 -4.527 -14.708 1.00 43.11 H new ATOM 0 HH12 ARG A 73 3.235 -4.335 -16.460 1.00 43.11 H new ATOM 0 HH21 ARG A 73 6.677 -3.679 -16.901 1.00 51.03 H new ATOM 0 HH22 ARG A 73 5.110 -3.857 -17.697 1.00 51.03 H new ATOM 1168 N GLY A 74 5.316 -4.301 -7.795 1.00 14.03 N ATOM 1169 CA GLY A 74 4.577 -4.058 -6.570 1.00 54.31 C ATOM 1170 C GLY A 74 3.980 -5.318 -5.983 1.00 33.24 C ATOM 1171 O GLY A 74 3.533 -5.321 -4.834 1.00 32.53 O ATOM 0 H GLY A 74 6.320 -4.429 -7.669 1.00 14.03 H new ATOM 0 HA2 GLY A 74 5.240 -3.600 -5.836 1.00 54.31 H new ATOM 0 HA3 GLY A 74 3.779 -3.342 -6.769 1.00 54.31 H new ATOM 1175 N ASP A 75 3.986 -6.384 -6.762 1.00 61.44 N ATOM 1176 CA ASP A 75 3.407 -7.654 -6.348 1.00 14.21 C ATOM 1177 C ASP A 75 4.365 -8.418 -5.437 1.00 14.12 C ATOM 1178 O ASP A 75 5.564 -8.507 -5.716 1.00 4.40 O ATOM 1179 CB ASP A 75 3.056 -8.486 -7.580 1.00 45.14 C ATOM 1180 CG ASP A 75 2.369 -9.784 -7.235 1.00 4.42 C ATOM 1181 OD1 ASP A 75 1.140 -9.783 -7.058 1.00 25.20 O ATOM 1182 OD2 ASP A 75 3.055 -10.819 -7.156 1.00 15.25 O ATOM 0 H ASP A 75 4.391 -6.397 -7.698 1.00 61.44 H new ATOM 0 HA ASP A 75 2.497 -7.456 -5.782 1.00 14.21 H new ATOM 0 HB2 ASP A 75 2.410 -7.902 -8.235 1.00 45.14 H new ATOM 0 HB3 ASP A 75 3.967 -8.700 -8.139 1.00 45.14 H new ATOM 1187 N LEU A 76 3.834 -8.958 -4.347 1.00 23.24 N ATOM 1188 CA LEU A 76 4.643 -9.688 -3.366 1.00 2.42 C ATOM 1189 C LEU A 76 4.511 -11.194 -3.539 1.00 12.23 C ATOM 1190 O LEU A 76 5.155 -11.971 -2.820 1.00 24.11 O ATOM 1191 CB LEU A 76 4.209 -9.320 -1.944 1.00 72.23 C ATOM 1192 CG LEU A 76 4.395 -7.864 -1.535 1.00 43.21 C ATOM 1193 CD1 LEU A 76 3.825 -7.629 -0.145 1.00 25.14 C ATOM 1194 CD2 LEU A 76 5.863 -7.490 -1.574 1.00 22.31 C ATOM 0 H LEU A 76 2.842 -8.906 -4.115 1.00 23.24 H new ATOM 0 HA LEU A 76 5.683 -9.404 -3.530 1.00 2.42 H new ATOM 0 HB2 LEU A 76 3.155 -9.575 -1.832 1.00 72.23 H new ATOM 0 HB3 LEU A 76 4.764 -9.945 -1.245 1.00 72.23 H new ATOM 0 HG LEU A 76 3.857 -7.232 -2.242 1.00 43.21 H new ATOM 0 HD11 LEU A 76 3.965 -6.585 0.134 1.00 25.14 H new ATOM 0 HD12 LEU A 76 2.761 -7.866 -0.143 1.00 25.14 H new ATOM 0 HD13 LEU A 76 4.340 -8.268 0.572 1.00 25.14 H new ATOM 0 HD21 LEU A 76 5.981 -6.447 -1.280 1.00 22.31 H new ATOM 0 HD22 LEU A 76 6.419 -8.126 -0.886 1.00 22.31 H new ATOM 0 HD23 LEU A 76 6.247 -7.627 -2.585 1.00 22.31 H new ATOM 1206 N GLY A 77 3.694 -11.610 -4.484 1.00 14.30 N ATOM 1207 CA GLY A 77 3.440 -13.017 -4.645 1.00 60.22 C ATOM 1208 C GLY A 77 2.517 -13.520 -3.554 1.00 74.24 C ATOM 1209 O GLY A 77 1.896 -12.720 -2.850 1.00 14.43 O ATOM 0 H GLY A 77 3.204 -11.002 -5.140 1.00 14.30 H new ATOM 0 HA2 GLY A 77 2.992 -13.202 -5.622 1.00 60.22 H new ATOM 0 HA3 GLY A 77 4.380 -13.568 -4.616 1.00 60.22 H new ATOM 1213 N ALA A 78 2.417 -14.821 -3.407 1.00 13.50 N ATOM 1214 CA ALA A 78 1.572 -15.395 -2.376 1.00 71.14 C ATOM 1215 C ALA A 78 2.295 -15.388 -1.037 1.00 63.14 C ATOM 1216 O ALA A 78 3.264 -16.123 -0.844 1.00 5.44 O ATOM 1217 CB ALA A 78 1.161 -16.810 -2.754 1.00 4.41 C ATOM 0 H ALA A 78 2.908 -15.504 -3.985 1.00 13.50 H new ATOM 0 HA ALA A 78 0.671 -14.788 -2.286 1.00 71.14 H new ATOM 0 HB1 ALA A 78 0.528 -17.226 -1.971 1.00 4.41 H new ATOM 0 HB2 ALA A 78 0.610 -16.790 -3.694 1.00 4.41 H new ATOM 0 HB3 ALA A 78 2.051 -17.429 -2.869 1.00 4.41 H new ATOM 1223 N PHE A 79 1.833 -14.556 -0.120 1.00 10.25 N ATOM 1224 CA PHE A 79 2.457 -14.449 1.196 1.00 10.43 C ATOM 1225 C PHE A 79 1.526 -14.945 2.299 1.00 0.55 C ATOM 1226 O PHE A 79 0.311 -15.056 2.099 1.00 2.41 O ATOM 1227 CB PHE A 79 2.913 -13.004 1.476 1.00 13.21 C ATOM 1228 CG PHE A 79 1.831 -11.963 1.335 1.00 22.41 C ATOM 1229 CD1 PHE A 79 1.010 -11.641 2.405 1.00 70.45 C ATOM 1230 CD2 PHE A 79 1.643 -11.304 0.131 1.00 52.04 C ATOM 1231 CE1 PHE A 79 0.022 -10.684 2.275 1.00 71.15 C ATOM 1232 CE2 PHE A 79 0.659 -10.347 -0.004 1.00 51.14 C ATOM 1233 CZ PHE A 79 -0.153 -10.036 1.068 1.00 61.12 C ATOM 0 H PHE A 79 1.029 -13.943 -0.258 1.00 10.25 H new ATOM 0 HA PHE A 79 3.338 -15.090 1.192 1.00 10.43 H new ATOM 0 HB2 PHE A 79 3.316 -12.954 2.487 1.00 13.21 H new ATOM 0 HB3 PHE A 79 3.728 -12.756 0.795 1.00 13.21 H new ATOM 0 HD1 PHE A 79 1.144 -12.144 3.351 1.00 70.45 H new ATOM 0 HD2 PHE A 79 2.275 -11.542 -0.712 1.00 52.04 H new ATOM 0 HE1 PHE A 79 -0.612 -10.443 3.115 1.00 71.15 H new ATOM 0 HE2 PHE A 79 0.524 -9.841 -0.948 1.00 51.14 H new ATOM 0 HZ PHE A 79 -0.924 -9.287 0.963 1.00 61.12 H new ATOM 1243 N SER A 80 2.106 -15.247 3.451 1.00 40.44 N ATOM 1244 CA SER A 80 1.361 -15.748 4.595 1.00 12.03 C ATOM 1245 C SER A 80 0.986 -14.608 5.544 1.00 1.33 C ATOM 1246 O SER A 80 1.221 -13.435 5.249 1.00 0.01 O ATOM 1247 CB SER A 80 2.207 -16.777 5.345 1.00 51.52 C ATOM 1248 OG SER A 80 2.677 -17.788 4.471 1.00 41.44 O ATOM 0 H SER A 80 3.108 -15.151 3.619 1.00 40.44 H new ATOM 0 HA SER A 80 0.444 -16.213 4.233 1.00 12.03 H new ATOM 0 HB2 SER A 80 3.053 -16.280 5.819 1.00 51.52 H new ATOM 0 HB3 SER A 80 1.615 -17.228 6.142 1.00 51.52 H new ATOM 0 HG SER A 80 3.216 -18.432 4.976 1.00 41.44 H new ATOM 1254 N ARG A 81 0.408 -14.964 6.683 1.00 33.11 N ATOM 1255 CA ARG A 81 0.031 -13.989 7.690 1.00 31.31 C ATOM 1256 C ARG A 81 1.219 -13.697 8.599 1.00 24.00 C ATOM 1257 O ARG A 81 2.026 -14.587 8.877 1.00 64.34 O ATOM 1258 CB ARG A 81 -1.141 -14.510 8.524 1.00 32.13 C ATOM 1259 CG ARG A 81 -2.378 -14.855 7.711 1.00 71.44 C ATOM 1260 CD ARG A 81 -3.484 -15.408 8.594 1.00 14.02 C ATOM 1261 NE ARG A 81 -3.948 -14.423 9.576 1.00 22.03 N ATOM 1262 CZ ARG A 81 -4.911 -14.647 10.477 1.00 25.12 C ATOM 1263 NH1 ARG A 81 -5.519 -15.828 10.530 1.00 3.30 N ATOM 1264 NH2 ARG A 81 -5.266 -13.684 11.322 1.00 30.23 N ATOM 0 H ARG A 81 0.190 -15.929 6.931 1.00 33.11 H new ATOM 0 HA ARG A 81 -0.275 -13.071 7.189 1.00 31.31 H new ATOM 0 HB2 ARG A 81 -0.819 -15.397 9.069 1.00 32.13 H new ATOM 0 HB3 ARG A 81 -1.406 -13.758 9.267 1.00 32.13 H new ATOM 0 HG2 ARG A 81 -2.735 -13.965 7.193 1.00 71.44 H new ATOM 0 HG3 ARG A 81 -2.120 -15.588 6.946 1.00 71.44 H new ATOM 0 HD2 ARG A 81 -4.322 -15.722 7.972 1.00 14.02 H new ATOM 0 HD3 ARG A 81 -3.123 -16.296 9.114 1.00 14.02 H new ATOM 0 HE ARG A 81 -3.506 -13.504 9.572 1.00 22.03 H new ATOM 0 HH11 ARG A 81 -5.252 -16.569 9.882 1.00 3.30 H new ATOM 0 HH12 ARG A 81 -6.253 -15.993 11.219 1.00 3.30 H new ATOM 0 HH21 ARG A 81 -4.804 -12.775 11.283 1.00 30.23 H new ATOM 0 HH22 ARG A 81 -6.000 -13.854 12.009 1.00 30.23 H new ATOM 1278 N GLY A 82 1.332 -12.462 9.048 1.00 31.25 N ATOM 1279 CA GLY A 82 2.420 -12.096 9.930 1.00 3.11 C ATOM 1280 C GLY A 82 3.714 -11.865 9.179 1.00 13.21 C ATOM 1281 O GLY A 82 4.803 -12.017 9.741 1.00 73.10 O ATOM 0 H GLY A 82 0.690 -11.703 8.819 1.00 31.25 H new ATOM 0 HA2 GLY A 82 2.153 -11.192 10.477 1.00 3.11 H new ATOM 0 HA3 GLY A 82 2.567 -12.884 10.669 1.00 3.11 H new ATOM 1285 N GLN A 83 3.600 -11.487 7.918 1.00 40.44 N ATOM 1286 CA GLN A 83 4.768 -11.278 7.073 1.00 51.11 C ATOM 1287 C GLN A 83 5.220 -9.824 7.060 1.00 42.44 C ATOM 1288 O GLN A 83 6.398 -9.532 7.282 1.00 21.21 O ATOM 1289 CB GLN A 83 4.496 -11.754 5.644 1.00 50.01 C ATOM 1290 CG GLN A 83 4.502 -13.265 5.484 1.00 54.43 C ATOM 1291 CD GLN A 83 5.863 -13.874 5.769 1.00 1.52 C ATOM 1292 OE1 GLN A 83 6.166 -14.251 6.903 1.00 33.14 O ATOM 1293 NE2 GLN A 83 6.693 -13.963 4.748 1.00 2.52 N ATOM 0 H GLN A 83 2.708 -11.317 7.453 1.00 40.44 H new ATOM 0 HA GLN A 83 5.576 -11.870 7.502 1.00 51.11 H new ATOM 0 HB2 GLN A 83 3.529 -11.369 5.322 1.00 50.01 H new ATOM 0 HB3 GLN A 83 5.247 -11.326 4.980 1.00 50.01 H new ATOM 0 HG2 GLN A 83 3.764 -13.701 6.157 1.00 54.43 H new ATOM 0 HG3 GLN A 83 4.198 -13.521 4.469 1.00 54.43 H new ATOM 0 HE21 GLN A 83 6.403 -13.639 3.825 1.00 2.52 H new ATOM 0 HE22 GLN A 83 7.625 -14.356 4.881 1.00 2.52 H new ATOM 1302 N MET A 84 4.299 -8.916 6.805 1.00 23.21 N ATOM 1303 CA MET A 84 4.642 -7.508 6.704 1.00 42.02 C ATOM 1304 C MET A 84 4.250 -6.756 7.971 1.00 31.02 C ATOM 1305 O MET A 84 5.105 -6.401 8.783 1.00 54.53 O ATOM 1306 CB MET A 84 3.962 -6.889 5.479 1.00 13.41 C ATOM 1307 CG MET A 84 4.362 -5.450 5.198 1.00 34.15 C ATOM 1308 SD MET A 84 6.104 -5.275 4.759 1.00 4.30 S ATOM 1309 CE MET A 84 6.211 -6.330 3.310 1.00 23.20 C ATOM 0 H MET A 84 3.311 -9.125 6.664 1.00 23.21 H new ATOM 0 HA MET A 84 5.723 -7.425 6.588 1.00 42.02 H new ATOM 0 HB2 MET A 84 4.196 -7.496 4.604 1.00 13.41 H new ATOM 0 HB3 MET A 84 2.882 -6.932 5.618 1.00 13.41 H new ATOM 0 HG2 MET A 84 3.748 -5.060 4.387 1.00 34.15 H new ATOM 0 HG3 MET A 84 4.152 -4.842 6.078 1.00 34.15 H new ATOM 0 HE1 MET A 84 7.092 -6.060 2.728 1.00 23.20 H new ATOM 0 HE2 MET A 84 6.287 -7.371 3.623 1.00 23.20 H new ATOM 0 HE3 MET A 84 5.318 -6.200 2.698 1.00 23.20 H new ATOM 1319 N GLN A 85 2.957 -6.552 8.151 1.00 34.05 N ATOM 1320 CA GLN A 85 2.429 -5.820 9.299 1.00 22.23 C ATOM 1321 C GLN A 85 1.057 -6.347 9.664 1.00 73.24 C ATOM 1322 O GLN A 85 0.302 -6.766 8.794 1.00 24.24 O ATOM 1323 CB GLN A 85 2.346 -4.312 9.005 1.00 71.14 C ATOM 1324 CG GLN A 85 3.672 -3.574 9.118 1.00 22.41 C ATOM 1325 CD GLN A 85 4.225 -3.586 10.534 1.00 23.23 C ATOM 1326 OE1 GLN A 85 3.472 -3.629 11.512 1.00 32.33 O ATOM 1327 NE2 GLN A 85 5.533 -3.556 10.656 1.00 42.44 N ATOM 0 H GLN A 85 2.240 -6.887 7.508 1.00 34.05 H new ATOM 0 HA GLN A 85 3.110 -5.969 10.137 1.00 22.23 H new ATOM 0 HB2 GLN A 85 1.951 -4.172 7.999 1.00 71.14 H new ATOM 0 HB3 GLN A 85 1.633 -3.859 9.693 1.00 71.14 H new ATOM 0 HG2 GLN A 85 4.397 -4.031 8.444 1.00 22.41 H new ATOM 0 HG3 GLN A 85 3.539 -2.542 8.792 1.00 22.41 H new ATOM 0 HE21 GLN A 85 6.122 -3.521 9.824 1.00 42.44 H new ATOM 0 HE22 GLN A 85 5.959 -3.568 11.583 1.00 42.44 H new ATOM 1336 N LYS A 86 0.734 -6.309 10.950 1.00 31.10 N ATOM 1337 CA LYS A 86 -0.551 -6.821 11.445 1.00 15.40 C ATOM 1338 C LYS A 86 -1.764 -6.278 10.652 1.00 73.45 C ATOM 1339 O LYS A 86 -2.602 -7.067 10.211 1.00 72.33 O ATOM 1340 CB LYS A 86 -0.711 -6.566 12.956 1.00 44.24 C ATOM 1341 CG LYS A 86 0.386 -7.195 13.802 1.00 42.34 C ATOM 1342 CD LYS A 86 0.406 -8.710 13.661 1.00 41.41 C ATOM 1343 CE LYS A 86 1.626 -9.314 14.339 1.00 25.31 C ATOM 1344 NZ LYS A 86 2.889 -8.850 13.712 1.00 42.24 N ATOM 0 H LYS A 86 1.341 -5.929 11.676 1.00 31.10 H new ATOM 0 HA LYS A 86 -0.535 -7.899 11.281 1.00 15.40 H new ATOM 0 HB2 LYS A 86 -0.724 -5.491 13.135 1.00 44.24 H new ATOM 0 HB3 LYS A 86 -1.676 -6.955 13.281 1.00 44.24 H new ATOM 0 HG2 LYS A 86 1.353 -6.789 13.505 1.00 42.34 H new ATOM 0 HG3 LYS A 86 0.237 -6.929 14.848 1.00 42.34 H new ATOM 0 HD2 LYS A 86 -0.500 -9.130 14.098 1.00 41.41 H new ATOM 0 HD3 LYS A 86 0.404 -8.979 12.605 1.00 41.41 H new ATOM 0 HE2 LYS A 86 1.625 -9.047 15.396 1.00 25.31 H new ATOM 0 HE3 LYS A 86 1.571 -10.401 14.285 1.00 25.31 H new ATOM 0 HZ1 LYS A 86 3.654 -9.518 13.936 1.00 42.24 H new ATOM 0 HZ2 LYS A 86 2.766 -8.798 12.681 1.00 42.24 H new ATOM 0 HZ3 LYS A 86 3.134 -7.908 14.080 1.00 42.24 H new ATOM 1358 N PRO A 87 -1.886 -4.931 10.444 1.00 21.30 N ATOM 1359 CA PRO A 87 -3.001 -4.363 9.678 1.00 4.43 C ATOM 1360 C PRO A 87 -2.849 -4.605 8.170 1.00 41.45 C ATOM 1361 O PRO A 87 -3.815 -4.490 7.411 1.00 72.31 O ATOM 1362 CB PRO A 87 -2.930 -2.851 9.984 1.00 14.43 C ATOM 1363 CG PRO A 87 -1.931 -2.713 11.088 1.00 51.30 C ATOM 1364 CD PRO A 87 -0.998 -3.872 10.944 1.00 2.34 C ATOM 0 HA PRO A 87 -3.952 -4.819 9.954 1.00 4.43 H new ATOM 0 HB2 PRO A 87 -2.622 -2.287 9.104 1.00 14.43 H new ATOM 0 HB3 PRO A 87 -3.904 -2.466 10.286 1.00 14.43 H new ATOM 0 HG2 PRO A 87 -1.394 -1.768 11.013 1.00 51.30 H new ATOM 0 HG3 PRO A 87 -2.421 -2.725 12.062 1.00 51.30 H new ATOM 0 HD2 PRO A 87 -0.188 -3.658 10.246 1.00 2.34 H new ATOM 0 HD3 PRO A 87 -0.537 -4.143 11.894 1.00 2.34 H new ATOM 1372 N PHE A 88 -1.639 -4.961 7.748 1.00 12.54 N ATOM 1373 CA PHE A 88 -1.356 -5.191 6.337 1.00 0.54 C ATOM 1374 C PHE A 88 -1.986 -6.495 5.876 1.00 11.24 C ATOM 1375 O PHE A 88 -2.844 -6.496 4.991 1.00 13.54 O ATOM 1376 CB PHE A 88 0.157 -5.200 6.077 1.00 44.41 C ATOM 1377 CG PHE A 88 0.531 -5.326 4.622 1.00 24.04 C ATOM 1378 CD1 PHE A 88 0.716 -6.574 4.041 1.00 63.44 C ATOM 1379 CD2 PHE A 88 0.700 -4.197 3.839 1.00 31.44 C ATOM 1380 CE1 PHE A 88 1.061 -6.689 2.710 1.00 2.45 C ATOM 1381 CE2 PHE A 88 1.046 -4.308 2.507 1.00 53.55 C ATOM 1382 CZ PHE A 88 1.227 -5.556 1.942 1.00 74.22 C ATOM 0 H PHE A 88 -0.838 -5.096 8.365 1.00 12.54 H new ATOM 0 HA PHE A 88 -1.792 -4.373 5.763 1.00 0.54 H new ATOM 0 HB2 PHE A 88 0.588 -4.281 6.474 1.00 44.41 H new ATOM 0 HB3 PHE A 88 0.605 -6.026 6.629 1.00 44.41 H new ATOM 0 HD1 PHE A 88 0.588 -7.465 4.638 1.00 63.44 H new ATOM 0 HD2 PHE A 88 0.560 -3.219 4.275 1.00 31.44 H new ATOM 0 HE1 PHE A 88 1.201 -7.665 2.270 1.00 2.45 H new ATOM 0 HE2 PHE A 88 1.175 -3.420 1.907 1.00 53.55 H new ATOM 0 HZ PHE A 88 1.498 -5.644 0.900 1.00 74.22 H new ATOM 1392 N GLU A 89 -1.571 -7.608 6.478 1.00 14.45 N ATOM 1393 CA GLU A 89 -2.138 -8.905 6.126 1.00 15.03 C ATOM 1394 C GLU A 89 -3.627 -8.932 6.445 1.00 40.11 C ATOM 1395 O GLU A 89 -4.409 -9.599 5.766 1.00 23.42 O ATOM 1396 CB GLU A 89 -1.430 -10.059 6.847 1.00 73.21 C ATOM 1397 CG GLU A 89 0.036 -10.244 6.472 1.00 2.10 C ATOM 1398 CD GLU A 89 0.962 -9.343 7.250 1.00 31.33 C ATOM 1399 OE1 GLU A 89 1.191 -9.619 8.448 1.00 20.22 O ATOM 1400 OE2 GLU A 89 1.480 -8.376 6.673 1.00 42.30 O ATOM 0 H GLU A 89 -0.854 -7.637 7.202 1.00 14.45 H new ATOM 0 HA GLU A 89 -1.990 -9.044 5.055 1.00 15.03 H new ATOM 0 HB2 GLU A 89 -1.497 -9.893 7.922 1.00 73.21 H new ATOM 0 HB3 GLU A 89 -1.965 -10.985 6.634 1.00 73.21 H new ATOM 0 HG2 GLU A 89 0.321 -11.282 6.642 1.00 2.10 H new ATOM 0 HG3 GLU A 89 0.160 -10.050 5.407 1.00 2.10 H new ATOM 1407 N ASP A 90 -4.011 -8.192 7.479 1.00 1.11 N ATOM 1408 CA ASP A 90 -5.412 -8.090 7.881 1.00 12.31 C ATOM 1409 C ASP A 90 -6.266 -7.587 6.723 1.00 32.11 C ATOM 1410 O ASP A 90 -7.322 -8.146 6.428 1.00 35.32 O ATOM 1411 CB ASP A 90 -5.552 -7.148 9.079 1.00 33.51 C ATOM 1412 CG ASP A 90 -6.989 -6.960 9.517 1.00 54.15 C ATOM 1413 OD1 ASP A 90 -7.465 -7.746 10.365 1.00 11.42 O ATOM 1414 OD2 ASP A 90 -7.648 -6.019 9.028 1.00 40.03 O ATOM 0 H ASP A 90 -3.369 -7.651 8.058 1.00 1.11 H new ATOM 0 HA ASP A 90 -5.760 -9.083 8.167 1.00 12.31 H new ATOM 0 HB2 ASP A 90 -4.972 -7.541 9.914 1.00 33.51 H new ATOM 0 HB3 ASP A 90 -5.126 -6.178 8.824 1.00 33.51 H new ATOM 1419 N ALA A 91 -5.787 -6.548 6.055 1.00 42.22 N ATOM 1420 CA ALA A 91 -6.499 -5.972 4.929 1.00 21.24 C ATOM 1421 C ALA A 91 -6.318 -6.823 3.674 1.00 22.22 C ATOM 1422 O ALA A 91 -7.263 -7.031 2.920 1.00 3.40 O ATOM 1423 CB ALA A 91 -6.032 -4.546 4.679 1.00 34.52 C ATOM 0 H ALA A 91 -4.905 -6.087 6.276 1.00 42.22 H new ATOM 0 HA ALA A 91 -7.561 -5.953 5.173 1.00 21.24 H new ATOM 0 HB1 ALA A 91 -6.576 -4.128 3.831 1.00 34.52 H new ATOM 0 HB2 ALA A 91 -6.221 -3.941 5.565 1.00 34.52 H new ATOM 0 HB3 ALA A 91 -4.964 -4.546 4.461 1.00 34.52 H new ATOM 1429 N SER A 92 -5.105 -7.330 3.475 1.00 44.34 N ATOM 1430 CA SER A 92 -4.786 -8.150 2.303 1.00 1.33 C ATOM 1431 C SER A 92 -5.723 -9.356 2.186 1.00 75.22 C ATOM 1432 O SER A 92 -6.245 -9.644 1.114 1.00 61.15 O ATOM 1433 CB SER A 92 -3.332 -8.622 2.368 1.00 72.34 C ATOM 1434 OG SER A 92 -2.443 -7.524 2.479 1.00 23.51 O ATOM 0 H SER A 92 -4.321 -7.188 4.112 1.00 44.34 H new ATOM 0 HA SER A 92 -4.926 -7.530 1.418 1.00 1.33 H new ATOM 0 HB2 SER A 92 -3.200 -9.288 3.221 1.00 72.34 H new ATOM 0 HB3 SER A 92 -3.093 -9.198 1.474 1.00 72.34 H new ATOM 0 HG SER A 92 -2.553 -7.101 3.356 1.00 23.51 H new ATOM 1440 N PHE A 93 -5.945 -10.042 3.297 1.00 3.01 N ATOM 1441 CA PHE A 93 -6.808 -11.220 3.305 1.00 13.41 C ATOM 1442 C PHE A 93 -8.290 -10.835 3.404 1.00 40.31 C ATOM 1443 O PHE A 93 -9.168 -11.688 3.287 1.00 43.31 O ATOM 1444 CB PHE A 93 -6.430 -12.162 4.460 1.00 4.03 C ATOM 1445 CG PHE A 93 -5.116 -12.886 4.279 1.00 61.04 C ATOM 1446 CD1 PHE A 93 -3.911 -12.249 4.526 1.00 23.21 C ATOM 1447 CD2 PHE A 93 -5.093 -14.207 3.868 1.00 23.24 C ATOM 1448 CE1 PHE A 93 -2.710 -12.913 4.367 1.00 42.32 C ATOM 1449 CE2 PHE A 93 -3.896 -14.878 3.708 1.00 62.42 C ATOM 1450 CZ PHE A 93 -2.703 -14.230 3.958 1.00 10.15 C ATOM 0 H PHE A 93 -5.542 -9.806 4.204 1.00 3.01 H new ATOM 0 HA PHE A 93 -6.657 -11.740 2.359 1.00 13.41 H new ATOM 0 HB2 PHE A 93 -6.387 -11.584 5.383 1.00 4.03 H new ATOM 0 HB3 PHE A 93 -7.222 -12.900 4.583 1.00 4.03 H new ATOM 0 HD1 PHE A 93 -3.910 -11.218 4.848 1.00 23.21 H new ATOM 0 HD2 PHE A 93 -6.022 -14.720 3.670 1.00 23.24 H new ATOM 0 HE1 PHE A 93 -1.779 -12.402 4.563 1.00 42.32 H new ATOM 0 HE2 PHE A 93 -3.894 -15.909 3.387 1.00 62.42 H new ATOM 0 HZ PHE A 93 -1.766 -14.753 3.834 1.00 10.15 H new ATOM 1460 N ALA A 94 -8.564 -9.551 3.605 1.00 71.43 N ATOM 1461 CA ALA A 94 -9.940 -9.075 3.743 1.00 42.11 C ATOM 1462 C ALA A 94 -10.492 -8.562 2.419 1.00 21.21 C ATOM 1463 O ALA A 94 -11.705 -8.533 2.212 1.00 41.45 O ATOM 1464 CB ALA A 94 -10.025 -7.989 4.800 1.00 3.32 C ATOM 0 H ALA A 94 -7.855 -8.821 3.676 1.00 71.43 H new ATOM 0 HA ALA A 94 -10.550 -9.923 4.055 1.00 42.11 H new ATOM 0 HB1 ALA A 94 -11.056 -7.647 4.888 1.00 3.32 H new ATOM 0 HB2 ALA A 94 -9.691 -8.387 5.758 1.00 3.32 H new ATOM 0 HB3 ALA A 94 -9.389 -7.152 4.513 1.00 3.32 H new ATOM 1470 N LEU A 95 -9.603 -8.156 1.530 1.00 43.11 N ATOM 1471 CA LEU A 95 -10.006 -7.646 0.225 1.00 62.01 C ATOM 1472 C LEU A 95 -10.436 -8.784 -0.686 1.00 71.13 C ATOM 1473 O LEU A 95 -10.372 -9.953 -0.307 1.00 2.44 O ATOM 1474 CB LEU A 95 -8.852 -6.889 -0.432 1.00 14.43 C ATOM 1475 CG LEU A 95 -8.291 -5.705 0.345 1.00 31.32 C ATOM 1476 CD1 LEU A 95 -7.088 -5.131 -0.379 1.00 14.34 C ATOM 1477 CD2 LEU A 95 -9.357 -4.637 0.543 1.00 33.33 C ATOM 0 H LEU A 95 -8.595 -8.168 1.685 1.00 43.11 H new ATOM 0 HA LEU A 95 -10.846 -6.968 0.376 1.00 62.01 H new ATOM 0 HB2 LEU A 95 -8.041 -7.594 -0.614 1.00 14.43 H new ATOM 0 HB3 LEU A 95 -9.188 -6.531 -1.405 1.00 14.43 H new ATOM 0 HG LEU A 95 -7.975 -6.052 1.329 1.00 31.32 H new ATOM 0 HD11 LEU A 95 -6.694 -4.285 0.184 1.00 14.34 H new ATOM 0 HD12 LEU A 95 -6.318 -5.897 -0.469 1.00 14.34 H new ATOM 0 HD13 LEU A 95 -7.386 -4.798 -1.373 1.00 14.34 H new ATOM 0 HD21 LEU A 95 -8.935 -3.801 1.100 1.00 33.33 H new ATOM 0 HD22 LEU A 95 -9.706 -4.287 -0.428 1.00 33.33 H new ATOM 0 HD23 LEU A 95 -10.195 -5.058 1.099 1.00 33.33 H new ATOM 1489 N ARG A 96 -10.861 -8.441 -1.883 1.00 41.11 N ATOM 1490 CA ARG A 96 -11.260 -9.431 -2.870 1.00 44.34 C ATOM 1491 C ARG A 96 -10.335 -9.346 -4.083 1.00 23.23 C ATOM 1492 O ARG A 96 -9.538 -8.410 -4.189 1.00 41.11 O ATOM 1493 CB ARG A 96 -12.712 -9.208 -3.300 1.00 62.11 C ATOM 1494 CG ARG A 96 -13.726 -9.285 -2.165 1.00 51.11 C ATOM 1495 CD ARG A 96 -15.143 -9.105 -2.688 1.00 31.31 C ATOM 1496 NE ARG A 96 -16.138 -9.072 -1.613 1.00 65.13 N ATOM 1497 CZ ARG A 96 -17.459 -8.996 -1.813 1.00 1.30 C ATOM 1498 NH1 ARG A 96 -17.950 -8.976 -3.050 1.00 22.11 N ATOM 1499 NH2 ARG A 96 -18.287 -8.947 -0.776 1.00 34.35 N ATOM 0 H ARG A 96 -10.941 -7.475 -2.202 1.00 41.11 H new ATOM 0 HA ARG A 96 -11.183 -10.423 -2.425 1.00 44.34 H new ATOM 0 HB2 ARG A 96 -12.791 -8.230 -3.775 1.00 62.11 H new ATOM 0 HB3 ARG A 96 -12.973 -9.951 -4.054 1.00 62.11 H new ATOM 0 HG2 ARG A 96 -13.640 -10.247 -1.660 1.00 51.11 H new ATOM 0 HG3 ARG A 96 -13.507 -8.516 -1.424 1.00 51.11 H new ATOM 0 HD2 ARG A 96 -15.201 -8.179 -3.261 1.00 31.31 H new ATOM 0 HD3 ARG A 96 -15.380 -9.919 -3.373 1.00 31.31 H new ATOM 0 HE ARG A 96 -15.802 -9.109 -0.651 1.00 65.13 H new ATOM 0 HH11 ARG A 96 -17.319 -9.019 -3.850 1.00 22.11 H new ATOM 0 HH12 ARG A 96 -18.958 -8.918 -3.198 1.00 22.11 H new ATOM 0 HH21 ARG A 96 -17.916 -8.967 0.174 1.00 34.35 H new ATOM 0 HH22 ARG A 96 -19.294 -8.889 -0.929 1.00 34.35 H new ATOM 1513 N THR A 97 -10.437 -10.312 -4.983 1.00 50.52 N ATOM 1514 CA THR A 97 -9.606 -10.343 -6.180 1.00 45.11 C ATOM 1515 C THR A 97 -9.858 -9.108 -7.057 1.00 41.24 C ATOM 1516 O THR A 97 -10.970 -8.904 -7.560 1.00 24.32 O ATOM 1517 CB THR A 97 -9.888 -11.616 -7.003 1.00 23.21 C ATOM 1518 OG1 THR A 97 -9.853 -12.760 -6.138 1.00 12.24 O ATOM 1519 CG2 THR A 97 -8.854 -11.787 -8.110 1.00 35.13 C ATOM 0 H THR A 97 -11.091 -11.091 -4.907 1.00 50.52 H new ATOM 0 HA THR A 97 -8.565 -10.343 -5.858 1.00 45.11 H new ATOM 0 HB THR A 97 -10.873 -11.523 -7.460 1.00 23.21 H new ATOM 0 HG1 THR A 97 -8.923 -13.036 -5.998 1.00 12.24 H new ATOM 0 HG21 THR A 97 -9.074 -12.692 -8.677 1.00 35.13 H new ATOM 0 HG22 THR A 97 -8.888 -10.925 -8.776 1.00 35.13 H new ATOM 0 HG23 THR A 97 -7.860 -11.867 -7.670 1.00 35.13 H new ATOM 1527 N GLY A 98 -8.828 -8.288 -7.227 1.00 24.34 N ATOM 1528 CA GLY A 98 -8.957 -7.092 -8.037 1.00 52.53 C ATOM 1529 C GLY A 98 -9.434 -5.896 -7.239 1.00 25.52 C ATOM 1530 O GLY A 98 -9.752 -4.850 -7.807 1.00 55.11 O ATOM 0 H GLY A 98 -7.905 -8.430 -6.818 1.00 24.34 H new ATOM 0 HA2 GLY A 98 -7.994 -6.860 -8.492 1.00 52.53 H new ATOM 0 HA3 GLY A 98 -9.656 -7.283 -8.851 1.00 52.53 H new ATOM 1534 N GLU A 99 -9.488 -6.045 -5.925 1.00 43.40 N ATOM 1535 CA GLU A 99 -9.931 -4.969 -5.059 1.00 64.35 C ATOM 1536 C GLU A 99 -8.743 -4.317 -4.355 1.00 20.15 C ATOM 1537 O GLU A 99 -7.735 -4.975 -4.071 1.00 12.13 O ATOM 1538 CB GLU A 99 -10.948 -5.489 -4.032 1.00 51.50 C ATOM 1539 CG GLU A 99 -11.528 -4.408 -3.128 1.00 30.31 C ATOM 1540 CD GLU A 99 -12.244 -3.320 -3.903 1.00 50.21 C ATOM 1541 OE1 GLU A 99 -11.562 -2.439 -4.482 1.00 15.15 O ATOM 1542 OE2 GLU A 99 -13.488 -3.331 -3.937 1.00 2.34 O ATOM 0 H GLU A 99 -9.230 -6.902 -5.436 1.00 43.40 H new ATOM 0 HA GLU A 99 -10.418 -4.213 -5.675 1.00 64.35 H new ATOM 0 HB2 GLU A 99 -11.764 -5.981 -4.562 1.00 51.50 H new ATOM 0 HB3 GLU A 99 -10.468 -6.246 -3.413 1.00 51.50 H new ATOM 0 HG2 GLU A 99 -12.223 -4.864 -2.423 1.00 30.31 H new ATOM 0 HG3 GLU A 99 -10.725 -3.962 -2.541 1.00 30.31 H new ATOM 1549 N MET A 100 -8.872 -3.027 -4.084 1.00 43.13 N ATOM 1550 CA MET A 100 -7.834 -2.255 -3.420 1.00 1.30 C ATOM 1551 C MET A 100 -8.281 -1.881 -2.016 1.00 4.50 C ATOM 1552 O MET A 100 -9.480 -1.800 -1.744 1.00 1.43 O ATOM 1553 CB MET A 100 -7.523 -0.983 -4.217 1.00 12.34 C ATOM 1554 CG MET A 100 -6.966 -1.244 -5.606 1.00 63.21 C ATOM 1555 SD MET A 100 -6.785 0.260 -6.591 1.00 71.32 S ATOM 1556 CE MET A 100 -5.647 1.203 -5.583 1.00 43.02 C ATOM 0 H MET A 100 -9.703 -2.485 -4.320 1.00 43.13 H new ATOM 0 HA MET A 100 -6.933 -2.865 -3.361 1.00 1.30 H new ATOM 0 HB2 MET A 100 -8.434 -0.392 -4.307 1.00 12.34 H new ATOM 0 HB3 MET A 100 -6.807 -0.382 -3.657 1.00 12.34 H new ATOM 0 HG2 MET A 100 -5.995 -1.731 -5.516 1.00 63.21 H new ATOM 0 HG3 MET A 100 -7.623 -1.938 -6.130 1.00 63.21 H new ATOM 0 HE1 MET A 100 -5.317 2.083 -6.134 1.00 43.02 H new ATOM 0 HE2 MET A 100 -6.146 1.515 -4.666 1.00 43.02 H new ATOM 0 HE3 MET A 100 -4.784 0.586 -5.334 1.00 43.02 H new ATOM 1566 N SER A 101 -7.332 -1.663 -1.131 1.00 64.24 N ATOM 1567 CA SER A 101 -7.641 -1.285 0.236 1.00 71.21 C ATOM 1568 C SER A 101 -7.928 0.207 0.330 1.00 4.32 C ATOM 1569 O SER A 101 -7.846 0.935 -0.666 1.00 42.13 O ATOM 1570 CB SER A 101 -6.476 -1.647 1.163 1.00 74.12 C ATOM 1571 OG SER A 101 -5.274 -1.018 0.742 1.00 74.34 O ATOM 0 H SER A 101 -6.335 -1.741 -1.333 1.00 64.24 H new ATOM 0 HA SER A 101 -8.530 -1.833 0.548 1.00 71.21 H new ATOM 0 HB2 SER A 101 -6.711 -1.344 2.183 1.00 74.12 H new ATOM 0 HB3 SER A 101 -6.339 -2.728 1.175 1.00 74.12 H new ATOM 0 HG SER A 101 -4.573 -1.171 1.410 1.00 74.34 H new ATOM 1577 N GLY A 102 -8.284 0.650 1.516 1.00 64.43 N ATOM 1578 CA GLY A 102 -8.499 2.051 1.744 1.00 64.23 C ATOM 1579 C GLY A 102 -7.303 2.665 2.432 1.00 24.20 C ATOM 1580 O GLY A 102 -6.180 2.172 2.275 1.00 61.01 O ATOM 0 H GLY A 102 -8.429 0.056 2.333 1.00 64.43 H new ATOM 0 HA2 GLY A 102 -8.679 2.556 0.795 1.00 64.23 H new ATOM 0 HA3 GLY A 102 -9.390 2.193 2.355 1.00 64.23 H new ATOM 1584 N PRO A 103 -7.496 3.728 3.206 1.00 31.50 N ATOM 1585 CA PRO A 103 -6.408 4.367 3.920 1.00 52.13 C ATOM 1586 C PRO A 103 -6.001 3.574 5.164 1.00 72.02 C ATOM 1587 O PRO A 103 -6.616 3.695 6.227 1.00 51.32 O ATOM 1588 CB PRO A 103 -6.984 5.730 4.305 1.00 51.31 C ATOM 1589 CG PRO A 103 -8.455 5.502 4.412 1.00 4.41 C ATOM 1590 CD PRO A 103 -8.791 4.395 3.443 1.00 53.54 C ATOM 0 HA PRO A 103 -5.502 4.438 3.318 1.00 52.13 H new ATOM 0 HB2 PRO A 103 -6.568 6.084 5.249 1.00 51.31 H new ATOM 0 HB3 PRO A 103 -6.754 6.484 3.553 1.00 51.31 H new ATOM 0 HG2 PRO A 103 -8.731 5.224 5.429 1.00 4.41 H new ATOM 0 HG3 PRO A 103 -9.007 6.410 4.169 1.00 4.41 H new ATOM 0 HD2 PRO A 103 -9.525 3.706 3.862 1.00 53.54 H new ATOM 0 HD3 PRO A 103 -9.214 4.788 2.518 1.00 53.54 H new ATOM 1598 N VAL A 104 -4.994 2.733 5.014 1.00 51.25 N ATOM 1599 CA VAL A 104 -4.494 1.948 6.127 1.00 71.41 C ATOM 1600 C VAL A 104 -3.409 2.729 6.854 1.00 1.23 C ATOM 1601 O VAL A 104 -2.268 2.818 6.385 1.00 63.42 O ATOM 1602 CB VAL A 104 -3.924 0.585 5.657 1.00 22.22 C ATOM 1603 CG1 VAL A 104 -3.468 -0.253 6.846 1.00 55.10 C ATOM 1604 CG2 VAL A 104 -4.958 -0.173 4.833 1.00 45.43 C ATOM 0 H VAL A 104 -4.506 2.576 4.132 1.00 51.25 H new ATOM 0 HA VAL A 104 -5.329 1.749 6.799 1.00 71.41 H new ATOM 0 HB VAL A 104 -3.056 0.780 5.027 1.00 22.22 H new ATOM 0 HG11 VAL A 104 -3.072 -1.204 6.490 1.00 55.10 H new ATOM 0 HG12 VAL A 104 -2.691 0.282 7.392 1.00 55.10 H new ATOM 0 HG13 VAL A 104 -4.315 -0.437 7.508 1.00 55.10 H new ATOM 0 HG21 VAL A 104 -4.539 -1.127 4.512 1.00 45.43 H new ATOM 0 HG22 VAL A 104 -5.846 -0.352 5.439 1.00 45.43 H new ATOM 0 HG23 VAL A 104 -5.229 0.417 3.957 1.00 45.43 H new ATOM 1614 N PHE A 105 -3.774 3.301 7.987 1.00 42.30 N ATOM 1615 CA PHE A 105 -2.863 4.122 8.765 1.00 30.11 C ATOM 1616 C PHE A 105 -1.910 3.264 9.571 1.00 61.34 C ATOM 1617 O PHE A 105 -2.330 2.429 10.371 1.00 25.22 O ATOM 1618 CB PHE A 105 -3.639 5.064 9.688 1.00 65.13 C ATOM 1619 CG PHE A 105 -4.496 6.057 8.954 1.00 54.14 C ATOM 1620 CD1 PHE A 105 -3.960 7.250 8.499 1.00 2.44 C ATOM 1621 CD2 PHE A 105 -5.835 5.796 8.718 1.00 40.40 C ATOM 1622 CE1 PHE A 105 -4.743 8.164 7.823 1.00 53.21 C ATOM 1623 CE2 PHE A 105 -6.624 6.706 8.042 1.00 65.04 C ATOM 1624 CZ PHE A 105 -6.077 7.892 7.594 1.00 12.22 C ATOM 0 H PHE A 105 -4.706 3.211 8.393 1.00 42.30 H new ATOM 0 HA PHE A 105 -2.276 4.721 8.069 1.00 30.11 H new ATOM 0 HB2 PHE A 105 -4.270 4.471 10.350 1.00 65.13 H new ATOM 0 HB3 PHE A 105 -2.933 5.603 10.319 1.00 65.13 H new ATOM 0 HD1 PHE A 105 -2.917 7.468 8.675 1.00 2.44 H new ATOM 0 HD2 PHE A 105 -6.268 4.870 9.067 1.00 40.40 H new ATOM 0 HE1 PHE A 105 -4.313 9.091 7.474 1.00 53.21 H new ATOM 0 HE2 PHE A 105 -7.667 6.490 7.864 1.00 65.04 H new ATOM 0 HZ PHE A 105 -6.692 8.606 7.065 1.00 12.22 H new ATOM 1634 N THR A 106 -0.631 3.470 9.351 1.00 23.03 N ATOM 1635 CA THR A 106 0.402 2.725 10.039 1.00 74.44 C ATOM 1636 C THR A 106 1.537 3.653 10.458 1.00 41.32 C ATOM 1637 O THR A 106 1.462 4.868 10.254 1.00 13.25 O ATOM 1638 CB THR A 106 0.965 1.611 9.140 1.00 70.03 C ATOM 1639 OG1 THR A 106 1.246 2.142 7.840 1.00 1.35 O ATOM 1640 CG2 THR A 106 -0.014 0.449 9.022 1.00 72.14 C ATOM 0 H THR A 106 -0.276 4.160 8.689 1.00 23.03 H new ATOM 0 HA THR A 106 -0.046 2.275 10.925 1.00 74.44 H new ATOM 0 HB THR A 106 1.883 1.235 9.593 1.00 70.03 H new ATOM 0 HG1 THR A 106 1.062 3.104 7.833 1.00 1.35 H new ATOM 0 HG21 THR A 106 0.412 -0.322 8.380 1.00 72.14 H new ATOM 0 HG22 THR A 106 -0.206 0.033 10.011 1.00 72.14 H new ATOM 0 HG23 THR A 106 -0.950 0.804 8.590 1.00 72.14 H new ATOM 1648 N ASP A 107 2.581 3.083 11.027 1.00 3.13 N ATOM 1649 CA ASP A 107 3.736 3.855 11.484 1.00 64.33 C ATOM 1650 C ASP A 107 4.517 4.471 10.323 1.00 33.20 C ATOM 1651 O ASP A 107 4.918 5.638 10.383 1.00 10.33 O ATOM 1652 CB ASP A 107 4.668 2.991 12.356 1.00 42.32 C ATOM 1653 CG ASP A 107 4.960 1.614 11.769 1.00 14.34 C ATOM 1654 OD1 ASP A 107 5.527 1.529 10.656 1.00 33.22 O ATOM 1655 OD2 ASP A 107 4.630 0.609 12.427 1.00 51.11 O ATOM 0 H ASP A 107 2.660 2.079 11.188 1.00 3.13 H new ATOM 0 HA ASP A 107 3.347 4.674 12.089 1.00 64.33 H new ATOM 0 HB2 ASP A 107 5.609 3.521 12.500 1.00 42.32 H new ATOM 0 HB3 ASP A 107 4.217 2.868 13.341 1.00 42.32 H new ATOM 1660 N SER A 108 4.717 3.702 9.270 1.00 11.30 N ATOM 1661 CA SER A 108 5.491 4.158 8.128 1.00 0.34 C ATOM 1662 C SER A 108 4.654 5.019 7.188 1.00 2.21 C ATOM 1663 O SER A 108 5.176 5.612 6.251 1.00 54.53 O ATOM 1664 CB SER A 108 6.069 2.962 7.378 1.00 43.44 C ATOM 1665 OG SER A 108 6.846 2.147 8.248 1.00 11.45 O ATOM 0 H SER A 108 4.353 2.754 9.180 1.00 11.30 H new ATOM 0 HA SER A 108 6.307 4.777 8.502 1.00 0.34 H new ATOM 0 HB2 SER A 108 5.260 2.373 6.946 1.00 43.44 H new ATOM 0 HB3 SER A 108 6.687 3.310 6.550 1.00 43.44 H new ATOM 0 HG SER A 108 6.296 1.861 9.007 1.00 11.45 H new ATOM 1671 N GLY A 109 3.365 5.092 7.450 1.00 64.21 N ATOM 1672 CA GLY A 109 2.490 5.881 6.620 1.00 21.34 C ATOM 1673 C GLY A 109 1.220 5.148 6.294 1.00 65.42 C ATOM 1674 O GLY A 109 0.512 4.694 7.193 1.00 21.43 O ATOM 0 H GLY A 109 2.906 4.616 8.227 1.00 64.21 H new ATOM 0 HA2 GLY A 109 2.250 6.815 7.129 1.00 21.34 H new ATOM 0 HA3 GLY A 109 3.005 6.144 5.696 1.00 21.34 H new ATOM 1678 N ILE A 110 0.933 5.017 5.019 1.00 1.21 N ATOM 1679 CA ILE A 110 -0.264 4.331 4.572 1.00 11.25 C ATOM 1680 C ILE A 110 0.096 3.294 3.512 1.00 45.23 C ATOM 1681 O ILE A 110 1.005 3.509 2.707 1.00 25.42 O ATOM 1682 CB ILE A 110 -1.308 5.333 4.007 1.00 55.12 C ATOM 1683 CG1 ILE A 110 -1.671 6.379 5.072 1.00 1.44 C ATOM 1684 CG2 ILE A 110 -2.560 4.602 3.533 1.00 0.22 C ATOM 1685 CD1 ILE A 110 -2.622 7.452 4.586 1.00 55.43 C ATOM 0 H ILE A 110 1.516 5.379 4.265 1.00 1.21 H new ATOM 0 HA ILE A 110 -0.710 3.829 5.431 1.00 11.25 H new ATOM 0 HB ILE A 110 -0.866 5.842 3.150 1.00 55.12 H new ATOM 0 HG12 ILE A 110 -2.119 5.872 5.926 1.00 1.44 H new ATOM 0 HG13 ILE A 110 -0.756 6.853 5.427 1.00 1.44 H new ATOM 0 HG21 ILE A 110 -3.277 5.324 3.142 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -2.293 3.894 2.748 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -3.006 4.065 4.370 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -2.828 8.150 5.397 1.00 55.43 H new ATOM 0 HD12 ILE A 110 -2.170 7.988 3.751 1.00 55.43 H new ATOM 0 HD13 ILE A 110 -3.554 6.991 4.259 1.00 55.43 H new ATOM 1697 N HIS A 111 -0.595 2.162 3.530 1.00 55.25 N ATOM 1698 CA HIS A 111 -0.326 1.091 2.577 1.00 71.31 C ATOM 1699 C HIS A 111 -1.552 0.817 1.719 1.00 75.45 C ATOM 1700 O HIS A 111 -2.638 0.572 2.244 1.00 10.20 O ATOM 1701 CB HIS A 111 0.070 -0.213 3.299 1.00 2.24 C ATOM 1702 CG HIS A 111 1.183 -0.077 4.297 1.00 63.00 C ATOM 1703 ND1 HIS A 111 2.509 -0.298 3.996 1.00 14.22 N ATOM 1704 CD2 HIS A 111 1.150 0.234 5.609 1.00 1.32 C ATOM 1705 CE1 HIS A 111 3.240 -0.129 5.086 1.00 3.33 C ATOM 1706 NE2 HIS A 111 2.440 0.194 6.074 1.00 34.32 N ATOM 0 H HIS A 111 -1.344 1.961 4.192 1.00 55.25 H new ATOM 0 HA HIS A 111 0.501 1.420 1.948 1.00 71.31 H new ATOM 0 HB2 HIS A 111 -0.808 -0.608 3.809 1.00 2.24 H new ATOM 0 HB3 HIS A 111 0.362 -0.950 2.551 1.00 2.24 H new ATOM 0 HD2 HIS A 111 0.269 0.471 6.187 1.00 1.32 H new ATOM 0 HE1 HIS A 111 4.312 -0.238 5.151 1.00 3.33 H new ATOM 0 HE2 HIS A 111 2.730 0.385 7.033 1.00 34.32 H new ATOM 1715 N ILE A 112 -1.381 0.869 0.413 1.00 73.42 N ATOM 1716 CA ILE A 112 -2.460 0.539 -0.505 1.00 4.22 C ATOM 1717 C ILE A 112 -2.228 -0.858 -1.044 1.00 20.04 C ATOM 1718 O ILE A 112 -1.204 -1.122 -1.671 1.00 33.33 O ATOM 1719 CB ILE A 112 -2.550 1.525 -1.689 1.00 71.22 C ATOM 1720 CG1 ILE A 112 -2.614 2.969 -1.186 1.00 21.01 C ATOM 1721 CG2 ILE A 112 -3.770 1.206 -2.545 1.00 4.23 C ATOM 1722 CD1 ILE A 112 -2.619 4.001 -2.295 1.00 21.20 C ATOM 0 H ILE A 112 -0.507 1.136 -0.039 1.00 73.42 H new ATOM 0 HA ILE A 112 -3.398 0.602 0.046 1.00 4.22 H new ATOM 0 HB ILE A 112 -1.654 1.416 -2.300 1.00 71.22 H new ATOM 0 HG12 ILE A 112 -3.512 3.094 -0.581 1.00 21.01 H new ATOM 0 HG13 ILE A 112 -1.761 3.155 -0.533 1.00 21.01 H new ATOM 0 HG21 ILE A 112 -3.824 1.908 -3.377 1.00 4.23 H new ATOM 0 HG22 ILE A 112 -3.688 0.190 -2.931 1.00 4.23 H new ATOM 0 HG23 ILE A 112 -4.672 1.292 -1.939 1.00 4.23 H new ATOM 0 HD11 ILE A 112 -2.666 5.000 -1.862 1.00 21.20 H new ATOM 0 HD12 ILE A 112 -1.709 3.904 -2.886 1.00 21.20 H new ATOM 0 HD13 ILE A 112 -3.486 3.842 -2.936 1.00 21.20 H new ATOM 1734 N ILE A 113 -3.154 -1.744 -0.785 1.00 64.34 N ATOM 1735 CA ILE A 113 -3.017 -3.128 -1.182 1.00 73.21 C ATOM 1736 C ILE A 113 -3.982 -3.472 -2.311 1.00 73.25 C ATOM 1737 O ILE A 113 -5.134 -3.044 -2.304 1.00 21.00 O ATOM 1738 CB ILE A 113 -3.288 -4.060 0.022 1.00 53.32 C ATOM 1739 CG1 ILE A 113 -2.457 -3.611 1.230 1.00 62.21 C ATOM 1740 CG2 ILE A 113 -2.972 -5.509 -0.335 1.00 72.32 C ATOM 1741 CD1 ILE A 113 -2.835 -4.297 2.521 1.00 61.45 C ATOM 0 H ILE A 113 -4.023 -1.531 -0.295 1.00 64.34 H new ATOM 0 HA ILE A 113 -1.996 -3.273 -1.535 1.00 73.21 H new ATOM 0 HB ILE A 113 -4.345 -3.998 0.279 1.00 53.32 H new ATOM 0 HG12 ILE A 113 -1.403 -3.800 1.024 1.00 62.21 H new ATOM 0 HG13 ILE A 113 -2.569 -2.534 1.356 1.00 62.21 H new ATOM 0 HG21 ILE A 113 -3.170 -6.147 0.526 1.00 72.32 H new ATOM 0 HG22 ILE A 113 -3.598 -5.823 -1.170 1.00 72.32 H new ATOM 0 HG23 ILE A 113 -1.922 -5.594 -0.616 1.00 72.32 H new ATOM 0 HD11 ILE A 113 -2.203 -3.927 3.328 1.00 61.45 H new ATOM 0 HD12 ILE A 113 -3.879 -4.087 2.752 1.00 61.45 H new ATOM 0 HD13 ILE A 113 -2.696 -5.373 2.416 1.00 61.45 H new ATOM 1753 N LEU A 114 -3.496 -4.222 -3.278 1.00 30.34 N ATOM 1754 CA LEU A 114 -4.308 -4.684 -4.390 1.00 44.22 C ATOM 1755 C LEU A 114 -4.159 -6.188 -4.531 1.00 2.33 C ATOM 1756 O LEU A 114 -3.066 -6.686 -4.789 1.00 31.12 O ATOM 1757 CB LEU A 114 -3.889 -3.987 -5.693 1.00 62.43 C ATOM 1758 CG LEU A 114 -4.511 -4.545 -6.986 1.00 75.24 C ATOM 1759 CD1 LEU A 114 -6.021 -4.381 -6.984 1.00 54.15 C ATOM 1760 CD2 LEU A 114 -3.902 -3.872 -8.205 1.00 4.42 C ATOM 0 H LEU A 114 -2.525 -4.530 -3.317 1.00 30.34 H new ATOM 0 HA LEU A 114 -5.352 -4.438 -4.193 1.00 44.22 H new ATOM 0 HB2 LEU A 114 -4.146 -2.931 -5.616 1.00 62.43 H new ATOM 0 HB3 LEU A 114 -2.804 -4.045 -5.780 1.00 62.43 H new ATOM 0 HG LEU A 114 -4.290 -5.611 -7.032 1.00 75.24 H new ATOM 0 HD11 LEU A 114 -6.432 -4.784 -7.910 1.00 54.15 H new ATOM 0 HD12 LEU A 114 -6.444 -4.918 -6.135 1.00 54.15 H new ATOM 0 HD13 LEU A 114 -6.272 -3.323 -6.906 1.00 54.15 H new ATOM 0 HD21 LEU A 114 -4.354 -4.279 -9.109 1.00 4.42 H new ATOM 0 HD22 LEU A 114 -4.087 -2.799 -8.159 1.00 4.42 H new ATOM 0 HD23 LEU A 114 -2.828 -4.054 -8.223 1.00 4.42 H new ATOM 1772 N ARG A 115 -5.245 -6.914 -4.342 1.00 62.41 N ATOM 1773 CA ARG A 115 -5.196 -8.364 -4.447 1.00 33.10 C ATOM 1774 C ARG A 115 -5.082 -8.816 -5.883 1.00 13.35 C ATOM 1775 O ARG A 115 -5.994 -8.602 -6.688 1.00 61.51 O ATOM 1776 CB ARG A 115 -6.410 -9.022 -3.806 1.00 2.43 C ATOM 1777 CG ARG A 115 -6.374 -9.055 -2.297 1.00 24.11 C ATOM 1778 CD ARG A 115 -7.435 -9.993 -1.752 1.00 12.21 C ATOM 1779 NE ARG A 115 -7.266 -11.361 -2.251 1.00 32.41 N ATOM 1780 CZ ARG A 115 -8.085 -12.378 -1.972 1.00 12.32 C ATOM 1781 NH1 ARG A 115 -9.159 -12.193 -1.216 1.00 40.33 N ATOM 1782 NH2 ARG A 115 -7.833 -13.571 -2.467 1.00 11.22 N ATOM 0 H ARG A 115 -6.163 -6.531 -4.117 1.00 62.41 H new ATOM 0 HA ARG A 115 -4.303 -8.677 -3.906 1.00 33.10 H new ATOM 0 HB2 ARG A 115 -7.307 -8.491 -4.125 1.00 2.43 H new ATOM 0 HB3 ARG A 115 -6.494 -10.043 -4.178 1.00 2.43 H new ATOM 0 HG2 ARG A 115 -5.389 -9.378 -1.959 1.00 24.11 H new ATOM 0 HG3 ARG A 115 -6.533 -8.051 -1.903 1.00 24.11 H new ATOM 0 HD2 ARG A 115 -7.391 -9.996 -0.663 1.00 12.21 H new ATOM 0 HD3 ARG A 115 -8.422 -9.625 -2.030 1.00 12.21 H new ATOM 0 HE ARG A 115 -6.466 -11.549 -2.854 1.00 32.41 H new ATOM 0 HH11 ARG A 115 -9.366 -11.267 -0.842 1.00 40.33 H new ATOM 0 HH12 ARG A 115 -9.778 -12.977 -1.009 1.00 40.33 H new ATOM 0 HH21 ARG A 115 -7.016 -13.715 -3.060 1.00 11.22 H new ATOM 0 HH22 ARG A 115 -8.455 -14.352 -2.257 1.00 11.22 H new ATOM 1796 N THR A 116 -3.964 -9.432 -6.199 1.00 1.01 N ATOM 1797 CA THR A 116 -3.740 -9.986 -7.508 1.00 75.31 C ATOM 1798 C THR A 116 -4.509 -11.302 -7.620 1.00 53.31 C ATOM 1799 O THR A 116 -5.112 -11.604 -8.647 1.00 32.14 O ATOM 1800 CB THR A 116 -2.235 -10.252 -7.735 1.00 73.34 C ATOM 1801 OG1 THR A 116 -1.462 -9.142 -7.236 1.00 53.42 O ATOM 1802 CG2 THR A 116 -1.939 -10.445 -9.216 1.00 13.42 C ATOM 0 H THR A 116 -3.186 -9.561 -5.552 1.00 1.01 H new ATOM 0 HA THR A 116 -4.084 -9.278 -8.261 1.00 75.31 H new ATOM 0 HB THR A 116 -1.963 -11.162 -7.200 1.00 73.34 H new ATOM 0 HG1 THR A 116 -0.549 -9.440 -7.042 1.00 53.42 H new ATOM 0 HG21 THR A 116 -0.874 -10.631 -9.353 1.00 13.42 H new ATOM 0 HG22 THR A 116 -2.507 -11.295 -9.593 1.00 13.42 H new ATOM 0 HG23 THR A 116 -2.224 -9.547 -9.764 1.00 13.42 H new ATOM 1810 N GLU A 117 -4.496 -12.060 -6.526 1.00 41.52 N ATOM 1811 CA GLU A 117 -5.184 -13.337 -6.444 1.00 15.20 C ATOM 1812 C GLU A 117 -6.135 -13.335 -5.253 1.00 62.11 C ATOM 1813 O GLU A 117 -5.647 -13.434 -4.100 1.00 0.00 O ATOM 1814 CB GLU A 117 -4.177 -14.480 -6.290 1.00 54.54 C ATOM 1815 CG GLU A 117 -3.245 -14.667 -7.479 1.00 55.04 C ATOM 1816 CD GLU A 117 -3.949 -15.238 -8.687 1.00 43.33 C ATOM 1817 OE1 GLU A 117 -4.385 -16.406 -8.623 1.00 52.31 O ATOM 1818 OE2 GLU A 117 -4.054 -14.535 -9.712 1.00 30.45 O ATOM 1819 OXT GLU A 117 -7.359 -13.246 -5.461 1.00 0.00 O ATOM 0 H GLU A 117 -4.005 -11.801 -5.670 1.00 41.52 H new ATOM 0 HA GLU A 117 -5.749 -13.486 -7.364 1.00 15.20 H new ATOM 0 HB2 GLU A 117 -3.576 -14.300 -5.399 1.00 54.54 H new ATOM 0 HB3 GLU A 117 -4.723 -15.408 -6.124 1.00 54.54 H new ATOM 0 HG2 GLU A 117 -2.801 -13.707 -7.742 1.00 55.04 H new ATOM 0 HG3 GLU A 117 -2.427 -15.329 -7.194 1.00 55.04 H new