USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 630 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 80 LYS NZ :NH3+ -116:sc= -1.31! (180deg=-1.82) USER MOD Set 1.2: A 82 THR OG1 : rot -120:sc= 0.48 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -126:sc= -0.776 (180deg=-1.91!) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 170:sc= -1.19 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= -0.563 (180deg=-0.695) USER MOD Single : A 25 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.48) USER MOD Single : A 31 THR OG1 : rot -113:sc= -1.12 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 40 SER OG : rot 27:sc= 0.355 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.23 X(o=-2.2,f=-2.3) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 49 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 50 SER OG : rot -25:sc= 0.631 USER MOD Single : A 51 LYS NZ :NH3+ -108:sc= 0.232 (180deg=-0.0832) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0424 (180deg=-0.552) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 99:sc= 0.267 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= -0.0829 (180deg=-0.629) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.336 K(o=0.34,f=-6.1!) USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= -3.38 (180deg=-4.07!) USER MOD Single : A 67 ASN : amide:sc= -1.15 K(o=-1.2,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.18 (180deg=-0.776) USER MOD Single : A 75 THR OG1 : rot 170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 162:sc= -0.0411 (180deg=-0.486) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -6.870 -0.356 14.428 1.00 1.00 N ATOM 110 CA ASP A 7 -7.570 0.573 13.526 1.00 1.00 C ATOM 111 C ASP A 7 -6.753 0.768 12.251 1.00 1.00 C ATOM 112 O ASP A 7 -5.886 1.639 12.180 1.00 1.00 O ATOM 113 CB ASP A 7 -7.765 1.928 14.232 1.00 1.00 C ATOM 114 CG ASP A 7 -8.564 2.889 13.348 1.00 1.00 C ATOM 115 OD1 ASP A 7 -9.289 2.410 12.492 1.00 1.00 O ATOM 116 OD2 ASP A 7 -8.435 4.087 13.537 1.00 1.00 O ATOM 0 HA ASP A 7 -8.544 0.158 13.266 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -8.285 1.779 15.178 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -6.794 2.364 14.467 1.00 1.00 H new ATOM 121 N GLY A 8 -7.040 -0.056 11.247 1.00 1.00 N ATOM 122 CA GLY A 8 -6.340 0.013 9.968 1.00 1.00 C ATOM 123 C GLY A 8 -7.021 -0.894 8.954 1.00 1.00 C ATOM 124 O GLY A 8 -8.187 -1.250 9.120 1.00 1.00 O ATOM 0 H GLY A 8 -7.755 -0.782 11.295 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.333 1.040 9.603 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.300 -0.287 10.096 1.00 1.00 H new ATOM 128 N VAL A 9 -6.279 -1.267 7.904 1.00 1.00 N ATOM 129 CA VAL A 9 -6.800 -2.149 6.839 1.00 1.00 C ATOM 130 C VAL A 9 -5.984 -3.444 6.795 1.00 1.00 C ATOM 131 O VAL A 9 -4.762 -3.424 6.769 1.00 1.00 O ATOM 132 CB VAL A 9 -6.736 -1.420 5.473 1.00 1.00 C ATOM 133 CG1 VAL A 9 -7.760 -0.270 5.450 1.00 1.00 C ATOM 134 CG2 VAL A 9 -5.330 -0.843 5.232 1.00 1.00 C ATOM 0 H VAL A 9 -5.312 -0.973 7.764 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.840 -2.398 7.052 1.00 1.00 H new ATOM 0 HB VAL A 9 -6.965 -2.140 4.688 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.712 0.240 4.488 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.762 -0.672 5.598 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.531 0.437 6.248 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -5.305 -0.335 4.268 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -5.088 -0.133 6.023 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.599 -1.652 5.235 1.00 1.00 H new ATOM 144 N TYR A 10 -6.682 -4.577 6.822 1.00 1.00 N ATOM 145 CA TYR A 10 -6.040 -5.890 6.828 1.00 1.00 C ATOM 146 C TYR A 10 -5.777 -6.309 5.390 1.00 1.00 C ATOM 147 O TYR A 10 -6.557 -5.995 4.504 1.00 1.00 O ATOM 148 CB TYR A 10 -6.996 -6.921 7.497 1.00 1.00 C ATOM 149 CG TYR A 10 -6.976 -6.807 9.034 1.00 1.00 C ATOM 150 CD1 TYR A 10 -7.178 -5.565 9.647 1.00 1.00 C ATOM 151 CD2 TYR A 10 -6.762 -7.946 9.819 1.00 1.00 C ATOM 152 CE1 TYR A 10 -7.165 -5.461 11.044 1.00 1.00 C ATOM 153 CE2 TYR A 10 -6.749 -7.843 11.216 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.952 -6.601 11.829 1.00 1.00 C ATOM 155 OH TYR A 10 -6.940 -6.497 13.202 1.00 1.00 O ATOM 0 H TYR A 10 -7.701 -4.612 6.840 1.00 1.00 H new ATOM 0 HA TYR A 10 -5.102 -5.848 7.382 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -8.012 -6.764 7.134 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.705 -7.930 7.204 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -7.344 -4.686 9.042 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.607 -8.905 9.347 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.319 -4.502 11.516 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -6.582 -8.722 11.820 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.781 -7.380 13.596 1.00 1.00 H new ATOM 165 N VAL A 11 -4.672 -7.030 5.179 1.00 1.00 N ATOM 166 CA VAL A 11 -4.293 -7.522 3.845 1.00 1.00 C ATOM 167 C VAL A 11 -4.511 -9.023 3.793 1.00 1.00 C ATOM 168 O VAL A 11 -4.109 -9.750 4.700 1.00 1.00 O ATOM 169 CB VAL A 11 -2.821 -7.190 3.545 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.442 -7.667 2.124 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.627 -5.669 3.642 1.00 1.00 C ATOM 0 H VAL A 11 -4.018 -7.289 5.918 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.911 -7.034 3.092 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.182 -7.699 4.267 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.398 -7.425 1.926 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.585 -8.745 2.052 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.076 -7.167 1.391 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.587 -5.421 3.431 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -3.272 -5.173 2.917 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.884 -5.333 4.647 1.00 1.00 H new ATOM 181 N LEU A 12 -5.168 -9.487 2.732 1.00 1.00 N ATOM 182 CA LEU A 12 -5.449 -10.914 2.571 1.00 1.00 C ATOM 183 C LEU A 12 -4.261 -11.646 1.935 1.00 1.00 C ATOM 184 O LEU A 12 -3.805 -12.666 2.443 1.00 1.00 O ATOM 185 CB LEU A 12 -6.734 -11.086 1.703 1.00 1.00 C ATOM 186 CG LEU A 12 -7.543 -12.345 2.138 1.00 1.00 C ATOM 187 CD1 LEU A 12 -6.656 -13.612 2.016 1.00 1.00 C ATOM 188 CD2 LEU A 12 -8.087 -12.185 3.604 1.00 1.00 C ATOM 0 H LEU A 12 -5.515 -8.900 1.974 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.612 -11.356 3.554 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.360 -10.198 1.795 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.457 -11.173 0.652 1.00 1.00 H new ATOM 0 HG LEU A 12 -8.402 -12.452 1.475 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.228 -14.488 2.322 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -6.334 -13.732 0.982 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -5.782 -13.507 2.659 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.648 -13.077 3.883 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.250 -12.053 4.290 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.740 -11.314 3.657 1.00 1.00 H new ATOM 200 N SER A 13 -3.772 -11.115 0.818 1.00 1.00 N ATOM 201 CA SER A 13 -2.649 -11.741 0.121 1.00 1.00 C ATOM 202 C SER A 13 -2.075 -10.819 -0.939 1.00 1.00 C ATOM 203 O SER A 13 -2.702 -9.835 -1.336 1.00 1.00 O ATOM 204 CB SER A 13 -3.113 -13.045 -0.537 1.00 1.00 C ATOM 205 OG SER A 13 -4.074 -12.749 -1.543 1.00 1.00 O ATOM 0 H SER A 13 -4.128 -10.265 0.380 1.00 1.00 H new ATOM 0 HA SER A 13 -1.870 -11.949 0.854 1.00 1.00 H new ATOM 0 HB2 SER A 13 -2.262 -13.568 -0.974 1.00 1.00 H new ATOM 0 HB3 SER A 13 -3.546 -13.709 0.211 1.00 1.00 H new ATOM 0 HG SER A 13 -4.371 -13.581 -1.967 1.00 1.00 H new ATOM 211 N VAL A 14 -0.862 -11.153 -1.384 1.00 1.00 N ATOM 212 CA VAL A 14 -0.150 -10.372 -2.403 1.00 1.00 C ATOM 213 C VAL A 14 -0.165 -11.158 -3.715 1.00 1.00 C ATOM 214 O VAL A 14 0.170 -12.342 -3.747 1.00 1.00 O ATOM 215 CB VAL A 14 1.312 -10.138 -1.954 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.034 -9.214 -2.955 1.00 1.00 C ATOM 217 CG2 VAL A 14 1.326 -9.495 -0.558 1.00 1.00 C ATOM 0 H VAL A 14 -0.346 -11.968 -1.052 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.636 -9.406 -2.540 1.00 1.00 H new ATOM 0 HB VAL A 14 1.829 -11.097 -1.919 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.062 -9.057 -2.629 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.033 -9.676 -3.942 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.518 -8.255 -3.003 1.00 1.00 H new ATOM 0 HG21 VAL A 14 2.357 -9.331 -0.243 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.801 -8.541 -0.592 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.831 -10.157 0.152 1.00 1.00 H new ATOM 227 N LYS A 15 -0.585 -10.495 -4.790 1.00 1.00 N ATOM 228 CA LYS A 15 -0.676 -11.140 -6.098 1.00 1.00 C ATOM 229 C LYS A 15 0.686 -11.650 -6.537 1.00 1.00 C ATOM 230 O LYS A 15 0.769 -12.715 -7.135 1.00 1.00 O ATOM 231 CB LYS A 15 -1.267 -10.161 -7.125 1.00 1.00 C ATOM 232 CG LYS A 15 -2.716 -9.819 -6.733 1.00 1.00 C ATOM 233 CD LYS A 15 -3.330 -8.868 -7.765 1.00 1.00 C ATOM 234 CE LYS A 15 -4.776 -8.552 -7.373 1.00 1.00 C ATOM 235 NZ LYS A 15 -4.791 -7.889 -6.038 1.00 1.00 N ATOM 0 H LYS A 15 -0.867 -9.515 -4.782 1.00 1.00 H new ATOM 0 HA LYS A 15 -1.341 -12.000 -6.026 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -0.666 -9.253 -7.165 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -1.243 -10.604 -8.121 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -3.309 -10.731 -6.670 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -2.735 -9.358 -5.746 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -2.748 -7.948 -7.819 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -3.302 -9.322 -8.756 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -5.234 -7.903 -8.119 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -5.365 -9.468 -7.343 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -5.756 -7.567 -5.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -4.480 -8.565 -5.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -4.147 -7.072 -6.049 1.00 1.00 H new ATOM 249 N GLU A 16 1.725 -10.880 -6.207 1.00 1.00 N ATOM 250 CA GLU A 16 3.143 -11.204 -6.510 1.00 1.00 C ATOM 251 C GLU A 16 3.588 -10.559 -7.829 1.00 1.00 C ATOM 252 O GLU A 16 2.764 -10.119 -8.628 1.00 1.00 O ATOM 253 CB GLU A 16 3.384 -12.741 -6.534 1.00 1.00 C ATOM 254 CG GLU A 16 4.883 -13.095 -6.418 1.00 1.00 C ATOM 255 CD GLU A 16 5.064 -14.614 -6.305 1.00 1.00 C ATOM 256 OE1 GLU A 16 4.093 -15.295 -6.016 1.00 1.00 O ATOM 257 OE2 GLU A 16 6.174 -15.079 -6.502 1.00 1.00 O ATOM 0 H GLU A 16 1.615 -9.995 -5.712 1.00 1.00 H new ATOM 0 HA GLU A 16 3.752 -10.787 -5.708 1.00 1.00 H new ATOM 0 HB2 GLU A 16 2.837 -13.206 -5.714 1.00 1.00 H new ATOM 0 HB3 GLU A 16 2.984 -13.156 -7.459 1.00 1.00 H new ATOM 0 HG2 GLU A 16 5.420 -12.722 -7.290 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.313 -12.605 -5.545 1.00 1.00 H new ATOM 264 N ASP A 17 4.905 -10.504 -8.025 1.00 1.00 N ATOM 265 CA ASP A 17 5.502 -9.914 -9.227 1.00 1.00 C ATOM 266 C ASP A 17 5.314 -8.394 -9.200 1.00 1.00 C ATOM 267 O ASP A 17 5.801 -7.680 -10.077 1.00 1.00 O ATOM 268 CB ASP A 17 4.891 -10.563 -10.524 1.00 1.00 C ATOM 269 CG ASP A 17 3.846 -9.663 -11.203 1.00 1.00 C ATOM 270 OD1 ASP A 17 4.251 -8.678 -11.796 1.00 1.00 O ATOM 271 OD2 ASP A 17 2.665 -9.950 -11.085 1.00 1.00 O ATOM 0 H ASP A 17 5.588 -10.865 -7.359 1.00 1.00 H new ATOM 0 HA ASP A 17 6.572 -10.121 -9.243 1.00 1.00 H new ATOM 0 HB2 ASP A 17 5.693 -10.778 -11.230 1.00 1.00 H new ATOM 0 HB3 ASP A 17 4.430 -11.516 -10.266 1.00 1.00 H new ATOM 276 N VAL A 18 4.583 -7.919 -8.191 1.00 1.00 N ATOM 277 CA VAL A 18 4.290 -6.487 -8.033 1.00 1.00 C ATOM 278 C VAL A 18 5.289 -5.838 -7.056 1.00 1.00 C ATOM 279 O VAL A 18 5.862 -6.529 -6.213 1.00 1.00 O ATOM 280 CB VAL A 18 2.832 -6.329 -7.513 1.00 1.00 C ATOM 281 CG1 VAL A 18 1.839 -6.670 -8.640 1.00 1.00 C ATOM 282 CG2 VAL A 18 2.587 -7.270 -6.311 1.00 1.00 C ATOM 0 H VAL A 18 4.178 -8.508 -7.463 1.00 1.00 H new ATOM 0 HA VAL A 18 4.390 -5.983 -8.994 1.00 1.00 H new ATOM 0 HB VAL A 18 2.684 -5.297 -7.194 1.00 1.00 H new ATOM 0 HG11 VAL A 18 0.819 -6.558 -8.272 1.00 1.00 H new ATOM 0 HG12 VAL A 18 1.997 -5.995 -9.481 1.00 1.00 H new ATOM 0 HG13 VAL A 18 1.997 -7.698 -8.965 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.563 -7.149 -5.957 1.00 1.00 H new ATOM 0 HG22 VAL A 18 2.745 -8.303 -6.620 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.280 -7.022 -5.507 1.00 1.00 H new ATOM 292 N PRO A 19 5.518 -4.535 -7.143 1.00 1.00 N ATOM 293 CA PRO A 19 6.478 -3.833 -6.224 1.00 1.00 C ATOM 294 C PRO A 19 6.127 -4.048 -4.741 1.00 1.00 C ATOM 295 O PRO A 19 6.990 -3.927 -3.873 1.00 1.00 O ATOM 296 CB PRO A 19 6.372 -2.335 -6.650 1.00 1.00 C ATOM 297 CG PRO A 19 5.064 -2.241 -7.381 1.00 1.00 C ATOM 298 CD PRO A 19 4.928 -3.575 -8.111 1.00 1.00 C ATOM 0 HA PRO A 19 7.495 -4.217 -6.310 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.390 -1.674 -5.783 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.205 -2.045 -7.290 1.00 1.00 H new ATOM 0 HG2 PRO A 19 4.236 -2.082 -6.691 1.00 1.00 H new ATOM 0 HG3 PRO A 19 5.061 -1.405 -8.081 1.00 1.00 H new ATOM 0 HD2 PRO A 19 3.887 -3.811 -8.333 1.00 1.00 H new ATOM 0 HD3 PRO A 19 5.465 -3.575 -9.060 1.00 1.00 H new ATOM 306 N ALA A 20 4.869 -4.366 -4.462 1.00 1.00 N ATOM 307 CA ALA A 20 4.428 -4.600 -3.083 1.00 1.00 C ATOM 308 C ALA A 20 5.124 -5.822 -2.490 1.00 1.00 C ATOM 309 O ALA A 20 5.239 -5.949 -1.269 1.00 1.00 O ATOM 310 CB ALA A 20 2.915 -4.800 -3.063 1.00 1.00 C ATOM 0 H ALA A 20 4.136 -4.469 -5.164 1.00 1.00 H new ATOM 0 HA ALA A 20 4.692 -3.733 -2.478 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.585 -4.974 -2.039 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.425 -3.909 -3.456 1.00 1.00 H new ATOM 0 HB3 ALA A 20 2.653 -5.660 -3.680 1.00 1.00 H new ATOM 316 N ALA A 21 5.579 -6.721 -3.359 1.00 1.00 N ATOM 317 CA ALA A 21 6.261 -7.934 -2.928 1.00 1.00 C ATOM 318 C ALA A 21 7.670 -7.619 -2.431 1.00 1.00 C ATOM 319 O ALA A 21 8.406 -6.853 -3.056 1.00 1.00 O ATOM 320 CB ALA A 21 6.346 -8.910 -4.108 1.00 1.00 C ATOM 0 H ALA A 21 5.486 -6.630 -4.371 1.00 1.00 H new ATOM 0 HA ALA A 21 5.696 -8.380 -2.109 1.00 1.00 H new ATOM 0 HB1 ALA A 21 6.856 -9.820 -3.791 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.341 -9.157 -4.449 1.00 1.00 H new ATOM 0 HB3 ALA A 21 6.902 -8.448 -4.923 1.00 1.00 H new ATOM 326 N GLY A 22 8.036 -8.228 -1.307 1.00 1.00 N ATOM 327 CA GLY A 22 9.362 -8.045 -0.701 1.00 1.00 C ATOM 328 C GLY A 22 9.356 -6.901 0.305 1.00 1.00 C ATOM 329 O GLY A 22 10.201 -6.854 1.200 1.00 1.00 O ATOM 0 H GLY A 22 7.428 -8.861 -0.788 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.668 -8.966 -0.206 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.096 -7.843 -1.481 1.00 1.00 H new ATOM 333 N ILE A 23 8.406 -5.970 0.146 1.00 1.00 N ATOM 334 CA ILE A 23 8.289 -4.801 1.040 1.00 1.00 C ATOM 335 C ILE A 23 7.155 -5.008 2.047 1.00 1.00 C ATOM 336 O ILE A 23 7.344 -4.818 3.249 1.00 1.00 O ATOM 337 CB ILE A 23 8.020 -3.534 0.188 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.152 -3.380 -0.863 1.00 1.00 C ATOM 339 CG2 ILE A 23 7.986 -2.288 1.096 1.00 1.00 C ATOM 340 CD1 ILE A 23 8.861 -2.216 -1.824 1.00 1.00 C ATOM 0 H ILE A 23 7.704 -6.000 -0.594 1.00 1.00 H new ATOM 0 HA ILE A 23 9.220 -4.679 1.594 1.00 1.00 H new ATOM 0 HB ILE A 23 7.058 -3.632 -0.316 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.102 -3.209 -0.356 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.255 -4.306 -1.429 1.00 1.00 H new ATOM 0 HG21 ILE A 23 7.797 -1.402 0.491 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.193 -2.398 1.836 1.00 1.00 H new ATOM 0 HG23 ILE A 23 8.944 -2.182 1.604 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.670 -2.132 -2.549 1.00 1.00 H new ATOM 0 HD12 ILE A 23 7.923 -2.402 -2.347 1.00 1.00 H new ATOM 0 HD13 ILE A 23 8.783 -1.288 -1.258 1.00 1.00 H new ATOM 352 N LEU A 24 5.975 -5.386 1.539 1.00 1.00 N ATOM 353 CA LEU A 24 4.779 -5.613 2.376 1.00 1.00 C ATOM 354 C LEU A 24 4.453 -7.098 2.421 1.00 1.00 C ATOM 355 O LEU A 24 4.854 -7.863 1.545 1.00 1.00 O ATOM 356 CB LEU A 24 3.584 -4.818 1.785 1.00 1.00 C ATOM 357 CG LEU A 24 3.738 -3.279 2.046 1.00 1.00 C ATOM 358 CD1 LEU A 24 2.904 -2.483 1.023 1.00 1.00 C ATOM 359 CD2 LEU A 24 3.247 -2.910 3.471 1.00 1.00 C ATOM 0 H LEU A 24 5.818 -5.544 0.544 1.00 1.00 H new ATOM 0 HA LEU A 24 4.972 -5.269 3.392 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.517 -5.002 0.713 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.654 -5.173 2.228 1.00 1.00 H new ATOM 0 HG LEU A 24 4.794 -3.028 1.948 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.018 -1.416 1.213 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.250 -2.711 0.015 1.00 1.00 H new ATOM 0 HD13 LEU A 24 1.854 -2.758 1.117 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.363 -1.838 3.630 1.00 1.00 H new ATOM 0 HD22 LEU A 24 2.196 -3.180 3.575 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.836 -3.452 4.211 1.00 1.00 H new ATOM 371 N HIS A 25 3.732 -7.496 3.474 1.00 1.00 N ATOM 372 CA HIS A 25 3.350 -8.897 3.677 1.00 1.00 C ATOM 373 C HIS A 25 1.912 -8.994 4.176 1.00 1.00 C ATOM 374 O HIS A 25 1.389 -8.073 4.799 1.00 1.00 O ATOM 375 CB HIS A 25 4.306 -9.528 4.703 1.00 1.00 C ATOM 376 CG HIS A 25 4.027 -11.004 4.820 1.00 1.00 C ATOM 377 ND1 HIS A 25 3.370 -11.555 5.908 1.00 1.00 N ATOM 378 CD2 HIS A 25 4.294 -12.053 3.975 1.00 1.00 C ATOM 379 CE1 HIS A 25 3.265 -12.876 5.690 1.00 1.00 C ATOM 380 NE2 HIS A 25 3.812 -13.239 4.527 1.00 1.00 N ATOM 0 H HIS A 25 3.400 -6.864 4.202 1.00 1.00 H new ATOM 0 HA HIS A 25 3.417 -9.430 2.729 1.00 1.00 H new ATOM 0 HB2 HIS A 25 5.340 -9.367 4.397 1.00 1.00 H new ATOM 0 HB3 HIS A 25 4.182 -9.047 5.673 1.00 1.00 H new ATOM 0 HD2 HIS A 25 4.801 -11.971 3.025 1.00 1.00 H new ATOM 0 HE1 HIS A 25 2.793 -13.565 6.375 1.00 1.00 H new ATOM 0 HE2 HIS A 25 3.865 -14.177 4.130 1.00 1.00 H new ATOM 389 N ALA A 26 1.283 -10.127 3.883 1.00 1.00 N ATOM 390 CA ALA A 26 -0.097 -10.369 4.292 1.00 1.00 C ATOM 391 C ALA A 26 -0.248 -10.225 5.808 1.00 1.00 C ATOM 392 O ALA A 26 0.654 -10.575 6.569 1.00 1.00 O ATOM 393 CB ALA A 26 -0.511 -11.781 3.862 1.00 1.00 C ATOM 0 H ALA A 26 1.708 -10.895 3.362 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.740 -9.631 3.812 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.541 -11.966 4.165 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.430 -11.870 2.779 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.144 -12.512 4.336 1.00 1.00 H new ATOM 399 N GLY A 27 -1.397 -9.699 6.235 1.00 1.00 N ATOM 400 CA GLY A 27 -1.683 -9.499 7.662 1.00 1.00 C ATOM 401 C GLY A 27 -1.196 -8.129 8.133 1.00 1.00 C ATOM 402 O GLY A 27 -1.526 -7.694 9.235 1.00 1.00 O ATOM 0 H GLY A 27 -2.149 -9.402 5.613 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.755 -9.587 7.837 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.199 -10.281 8.246 1.00 1.00 H new ATOM 406 N ASP A 28 -0.411 -7.450 7.292 1.00 1.00 N ATOM 407 CA ASP A 28 0.109 -6.122 7.635 1.00 1.00 C ATOM 408 C ASP A 28 -1.028 -5.104 7.677 1.00 1.00 C ATOM 409 O ASP A 28 -1.970 -5.191 6.891 1.00 1.00 O ATOM 410 CB ASP A 28 1.164 -5.690 6.601 1.00 1.00 C ATOM 411 CG ASP A 28 1.808 -4.367 7.011 1.00 1.00 C ATOM 412 OD1 ASP A 28 1.828 -4.085 8.198 1.00 1.00 O ATOM 413 OD2 ASP A 28 2.275 -3.662 6.133 1.00 1.00 O ATOM 0 H ASP A 28 -0.123 -7.794 6.376 1.00 1.00 H new ATOM 0 HA ASP A 28 0.573 -6.169 8.620 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.929 -6.461 6.511 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.699 -5.586 5.621 1.00 1.00 H new ATOM 418 N LEU A 29 -0.939 -4.139 8.610 1.00 1.00 N ATOM 419 CA LEU A 29 -1.970 -3.100 8.768 1.00 1.00 C ATOM 420 C LEU A 29 -1.372 -1.723 8.503 1.00 1.00 C ATOM 421 O LEU A 29 -0.420 -1.318 9.165 1.00 1.00 O ATOM 422 CB LEU A 29 -2.539 -3.130 10.214 1.00 1.00 C ATOM 423 CG LEU A 29 -3.084 -4.552 10.581 1.00 1.00 C ATOM 424 CD1 LEU A 29 -1.971 -5.461 11.166 1.00 1.00 C ATOM 425 CD2 LEU A 29 -4.198 -4.418 11.637 1.00 1.00 C ATOM 0 H LEU A 29 -0.162 -4.058 9.266 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.769 -3.296 8.054 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.760 -2.843 10.920 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.339 -2.396 10.308 1.00 1.00 H new ATOM 0 HG LEU A 29 -3.463 -5.004 9.665 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -2.389 -6.438 11.408 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.174 -5.579 10.432 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -1.567 -5.005 12.070 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.578 -5.407 11.893 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -3.796 -3.941 12.531 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.009 -3.811 11.235 1.00 1.00 H new ATOM 437 N ILE A 30 -1.928 -1.005 7.524 1.00 1.00 N ATOM 438 CA ILE A 30 -1.428 0.324 7.188 1.00 1.00 C ATOM 439 C ILE A 30 -1.993 1.340 8.183 1.00 1.00 C ATOM 440 O ILE A 30 -3.205 1.429 8.376 1.00 1.00 O ATOM 441 CB ILE A 30 -1.847 0.689 5.745 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.535 -0.489 4.782 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.112 1.965 5.287 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.051 -0.900 4.814 1.00 1.00 C ATOM 0 H ILE A 30 -2.716 -1.320 6.957 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.340 0.336 7.246 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.920 0.878 5.727 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.152 -1.347 5.050 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.808 -0.205 3.766 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.414 2.214 4.270 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.366 2.790 5.953 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.036 1.795 5.315 1.00 1.00 H new ATOM 0 HD11 ILE A 30 0.112 -1.727 4.123 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.568 -0.053 4.519 1.00 1.00 H new ATOM 0 HD13 ILE A 30 0.219 -1.212 5.823 1.00 1.00 H new ATOM 456 N THR A 31 -1.100 2.104 8.815 1.00 1.00 N ATOM 457 CA THR A 31 -1.499 3.118 9.794 1.00 1.00 C ATOM 458 C THR A 31 -1.781 4.445 9.101 1.00 1.00 C ATOM 459 O THR A 31 -2.802 5.084 9.363 1.00 1.00 O ATOM 460 CB THR A 31 -0.376 3.302 10.828 1.00 1.00 C ATOM 461 OG1 THR A 31 0.821 3.677 10.162 1.00 1.00 O ATOM 462 CG2 THR A 31 -0.149 1.988 11.588 1.00 1.00 C ATOM 0 H THR A 31 -0.093 2.040 8.666 1.00 1.00 H new ATOM 0 HA THR A 31 -2.408 2.786 10.295 1.00 1.00 H new ATOM 0 HB THR A 31 -0.661 4.081 11.535 1.00 1.00 H new ATOM 0 HG1 THR A 31 1.480 2.957 10.244 1.00 1.00 H new ATOM 0 HG21 THR A 31 0.648 2.124 12.319 1.00 1.00 H new ATOM 0 HG22 THR A 31 -1.067 1.701 12.101 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.134 1.205 10.884 1.00 1.00 H new ATOM 470 N GLU A 32 -0.872 4.864 8.217 1.00 1.00 N ATOM 471 CA GLU A 32 -1.042 6.130 7.498 1.00 1.00 C ATOM 472 C GLU A 32 -0.264 6.128 6.183 1.00 1.00 C ATOM 473 O GLU A 32 0.809 5.541 6.085 1.00 1.00 O ATOM 474 CB GLU A 32 -0.581 7.283 8.403 1.00 1.00 C ATOM 475 CG GLU A 32 -0.881 8.649 7.751 1.00 1.00 C ATOM 476 CD GLU A 32 -0.537 9.791 8.713 1.00 1.00 C ATOM 477 OE1 GLU A 32 0.227 9.560 9.636 1.00 1.00 O ATOM 478 OE2 GLU A 32 -1.046 10.881 8.509 1.00 1.00 O ATOM 0 H GLU A 32 -0.021 4.353 7.983 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.095 6.260 7.249 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.085 7.217 9.367 1.00 1.00 H new ATOM 0 HB3 GLU A 32 0.488 7.194 8.595 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.305 8.754 6.832 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.934 8.703 7.475 1.00 1.00 H new ATOM 485 N ILE A 33 -0.813 6.808 5.167 1.00 1.00 N ATOM 486 CA ILE A 33 -0.160 6.902 3.854 1.00 1.00 C ATOM 487 C ILE A 33 -0.373 8.309 3.278 1.00 1.00 C ATOM 488 O ILE A 33 -1.488 8.822 3.279 1.00 1.00 O ATOM 489 CB ILE A 33 -0.720 5.800 2.903 1.00 1.00 C ATOM 490 CG1 ILE A 33 0.223 5.595 1.690 1.00 1.00 C ATOM 491 CG2 ILE A 33 -2.140 6.157 2.398 1.00 1.00 C ATOM 492 CD1 ILE A 33 -0.282 4.455 0.794 1.00 1.00 C ATOM 0 H ILE A 33 -1.705 7.300 5.229 1.00 1.00 H new ATOM 0 HA ILE A 33 0.912 6.736 3.958 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.778 4.875 3.476 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.286 6.517 1.112 1.00 1.00 H new ATOM 0 HG13 ILE A 33 1.230 5.369 2.041 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.500 5.368 1.738 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -2.815 6.255 3.248 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -2.106 7.100 1.852 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.395 4.329 -0.051 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.321 3.530 1.369 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -1.280 4.696 0.427 1.00 1.00 H new ATOM 504 N ASP A 34 0.708 8.916 2.804 1.00 1.00 N ATOM 505 CA ASP A 34 0.650 10.261 2.224 1.00 1.00 C ATOM 506 C ASP A 34 0.066 11.277 3.213 1.00 1.00 C ATOM 507 O ASP A 34 -0.388 12.349 2.815 1.00 1.00 O ATOM 508 CB ASP A 34 -0.192 10.235 0.940 1.00 1.00 C ATOM 509 CG ASP A 34 0.443 9.294 -0.079 1.00 1.00 C ATOM 510 OD1 ASP A 34 1.578 9.537 -0.451 1.00 1.00 O ATOM 511 OD2 ASP A 34 -0.213 8.348 -0.482 1.00 1.00 O ATOM 0 H ASP A 34 1.640 8.501 2.808 1.00 1.00 H new ATOM 0 HA ASP A 34 1.668 10.572 1.990 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.207 9.908 1.167 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.266 11.239 0.523 1.00 1.00 H new ATOM 516 N GLY A 35 0.109 10.943 4.504 1.00 1.00 N ATOM 517 CA GLY A 35 -0.390 11.840 5.559 1.00 1.00 C ATOM 518 C GLY A 35 -1.891 11.680 5.797 1.00 1.00 C ATOM 519 O GLY A 35 -2.470 12.396 6.614 1.00 1.00 O ATOM 0 H GLY A 35 0.483 10.059 4.849 1.00 1.00 H new ATOM 0 HA2 GLY A 35 0.146 11.639 6.487 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -0.176 12.873 5.285 1.00 1.00 H new ATOM 523 N GLN A 36 -2.531 10.744 5.084 1.00 1.00 N ATOM 524 CA GLN A 36 -3.979 10.515 5.241 1.00 1.00 C ATOM 525 C GLN A 36 -4.337 9.053 4.961 1.00 1.00 C ATOM 526 O GLN A 36 -3.762 8.428 4.081 1.00 1.00 O ATOM 527 CB GLN A 36 -4.752 11.443 4.290 1.00 1.00 C ATOM 528 CG GLN A 36 -4.292 11.225 2.834 1.00 1.00 C ATOM 529 CD GLN A 36 -5.041 12.174 1.901 1.00 1.00 C ATOM 530 OE1 GLN A 36 -5.599 13.179 2.345 1.00 1.00 O ATOM 531 NE2 GLN A 36 -5.097 11.920 0.623 1.00 1.00 N ATOM 0 H GLN A 36 -2.078 10.138 4.400 1.00 1.00 H new ATOM 0 HA GLN A 36 -4.257 10.737 6.271 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -5.822 11.250 4.373 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.593 12.482 4.577 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -3.218 11.396 2.754 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -4.474 10.192 2.538 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -4.638 11.090 0.247 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -5.600 12.551 -0.001 1.00 1.00 H new ATOM 593 N SER A 40 -12.570 6.826 7.253 1.00 1.00 N ATOM 594 CA SER A 40 -13.245 6.364 6.023 1.00 1.00 C ATOM 595 C SER A 40 -12.257 5.665 5.094 1.00 1.00 C ATOM 596 O SER A 40 -11.378 6.303 4.513 1.00 1.00 O ATOM 597 CB SER A 40 -13.963 7.512 5.253 1.00 1.00 C ATOM 598 OG SER A 40 -14.551 8.406 6.190 1.00 1.00 O ATOM 0 HA SER A 40 -14.012 5.659 6.345 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.251 8.044 4.622 1.00 1.00 H new ATOM 0 HB3 SER A 40 -14.728 7.101 4.594 1.00 1.00 H new ATOM 0 HG SER A 40 -14.046 8.379 7.029 1.00 1.00 H new ATOM 604 N SER A 41 -12.421 4.350 4.938 1.00 1.00 N ATOM 605 CA SER A 41 -11.556 3.576 4.057 1.00 1.00 C ATOM 606 C SER A 41 -11.526 4.227 2.676 1.00 1.00 C ATOM 607 O SER A 41 -10.523 4.175 1.968 1.00 1.00 O ATOM 608 CB SER A 41 -12.069 2.138 3.945 1.00 1.00 C ATOM 609 OG SER A 41 -12.103 1.552 5.238 1.00 1.00 O ATOM 0 H SER A 41 -13.142 3.804 5.409 1.00 1.00 H new ATOM 0 HA SER A 41 -10.548 3.556 4.471 1.00 1.00 H new ATOM 0 HB2 SER A 41 -13.065 2.128 3.502 1.00 1.00 H new ATOM 0 HB3 SER A 41 -11.421 1.558 3.287 1.00 1.00 H new ATOM 0 HG SER A 41 -12.433 0.631 5.171 1.00 1.00 H new ATOM 615 N GLN A 42 -12.651 4.854 2.311 1.00 1.00 N ATOM 616 CA GLN A 42 -12.776 5.533 1.023 1.00 1.00 C ATOM 617 C GLN A 42 -11.657 6.564 0.860 1.00 1.00 C ATOM 618 O GLN A 42 -11.148 6.775 -0.237 1.00 1.00 O ATOM 619 CB GLN A 42 -14.173 6.217 0.934 1.00 1.00 C ATOM 620 CG GLN A 42 -14.618 6.400 -0.530 1.00 1.00 C ATOM 621 CD GLN A 42 -13.633 7.286 -1.283 1.00 1.00 C ATOM 622 OE1 GLN A 42 -13.372 8.421 -0.881 1.00 1.00 O ATOM 623 NE2 GLN A 42 -13.063 6.844 -2.372 1.00 1.00 N ATOM 0 H GLN A 42 -13.487 4.903 2.893 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.686 4.805 0.217 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.909 5.615 1.467 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.137 7.188 1.429 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.688 5.428 -1.019 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -15.613 6.845 -0.561 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -13.273 5.906 -2.713 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -12.408 7.437 -2.882 1.00 1.00 H new ATOM 632 N GLU A 43 -11.278 7.196 1.973 1.00 1.00 N ATOM 633 CA GLU A 43 -10.212 8.197 1.950 1.00 1.00 C ATOM 634 C GLU A 43 -8.927 7.572 1.406 1.00 1.00 C ATOM 635 O GLU A 43 -8.086 8.253 0.827 1.00 1.00 O ATOM 636 CB GLU A 43 -9.978 8.745 3.373 1.00 1.00 C ATOM 637 CG GLU A 43 -8.970 9.908 3.340 1.00 1.00 C ATOM 638 CD GLU A 43 -8.786 10.489 4.740 1.00 1.00 C ATOM 639 OE1 GLU A 43 -8.039 9.911 5.513 1.00 1.00 O ATOM 640 OE2 GLU A 43 -9.387 11.513 5.022 1.00 1.00 O ATOM 0 H GLU A 43 -11.689 7.034 2.892 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.506 9.021 1.300 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -10.922 9.085 3.799 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -9.605 7.950 4.019 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -8.012 9.557 2.956 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -9.322 10.684 2.660 1.00 1.00 H new ATOM 647 N PHE A 44 -8.788 6.261 1.600 1.00 1.00 N ATOM 648 CA PHE A 44 -7.615 5.537 1.123 1.00 1.00 C ATOM 649 C PHE A 44 -7.675 5.403 -0.398 1.00 1.00 C ATOM 650 O PHE A 44 -6.698 5.661 -1.094 1.00 1.00 O ATOM 651 CB PHE A 44 -7.583 4.140 1.794 1.00 1.00 C ATOM 652 CG PHE A 44 -6.166 3.561 1.755 1.00 1.00 C ATOM 653 CD1 PHE A 44 -5.706 2.912 0.603 1.00 1.00 C ATOM 654 CD2 PHE A 44 -5.319 3.695 2.863 1.00 1.00 C ATOM 655 CE1 PHE A 44 -4.404 2.400 0.554 1.00 1.00 C ATOM 656 CE2 PHE A 44 -4.016 3.183 2.818 1.00 1.00 C ATOM 657 CZ PHE A 44 -3.559 2.535 1.663 1.00 1.00 C ATOM 0 H PHE A 44 -9.473 5.681 2.084 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.707 6.081 1.383 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.922 4.218 2.827 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -8.272 3.468 1.282 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.358 2.806 -0.251 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.671 4.194 3.754 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -4.052 1.902 -0.337 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.364 3.288 3.673 1.00 1.00 H new ATOM 0 HZ PHE A 44 -2.555 2.139 1.628 1.00 1.00 H new ATOM 667 N ILE A 45 -8.843 4.989 -0.900 1.00 1.00 N ATOM 668 CA ILE A 45 -9.036 4.812 -2.338 1.00 1.00 C ATOM 669 C ILE A 45 -8.892 6.151 -3.047 1.00 1.00 C ATOM 670 O ILE A 45 -8.489 6.215 -4.209 1.00 1.00 O ATOM 671 CB ILE A 45 -10.437 4.216 -2.614 1.00 1.00 C ATOM 672 CG1 ILE A 45 -10.684 2.979 -1.705 1.00 1.00 C ATOM 673 CG2 ILE A 45 -10.560 3.820 -4.098 1.00 1.00 C ATOM 674 CD1 ILE A 45 -9.567 1.920 -1.835 1.00 1.00 C ATOM 0 H ILE A 45 -9.663 4.772 -0.334 1.00 1.00 H new ATOM 0 HA ILE A 45 -8.279 4.125 -2.717 1.00 1.00 H new ATOM 0 HB ILE A 45 -11.191 4.970 -2.388 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.755 3.303 -0.667 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -11.641 2.527 -1.964 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -11.550 3.402 -4.282 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.417 4.702 -4.723 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.801 3.076 -4.340 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -9.787 1.077 -1.180 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -9.513 1.573 -2.867 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -8.612 2.361 -1.550 1.00 1.00 H new ATOM 686 N ASP A 46 -9.221 7.218 -2.330 1.00 1.00 N ATOM 687 CA ASP A 46 -9.126 8.567 -2.888 1.00 1.00 C ATOM 688 C ASP A 46 -7.672 8.886 -3.239 1.00 1.00 C ATOM 689 O ASP A 46 -7.393 9.523 -4.253 1.00 1.00 O ATOM 690 CB ASP A 46 -9.658 9.591 -1.873 1.00 1.00 C ATOM 691 CG ASP A 46 -9.603 11.006 -2.451 1.00 1.00 C ATOM 692 OD1 ASP A 46 -10.122 11.198 -3.539 1.00 1.00 O ATOM 693 OD2 ASP A 46 -9.035 11.868 -1.801 1.00 1.00 O ATOM 0 H ASP A 46 -9.554 7.180 -1.367 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.728 8.620 -3.795 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.685 9.343 -1.603 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.068 9.544 -0.958 1.00 1.00 H new ATOM 698 N TYR A 47 -6.752 8.419 -2.399 1.00 1.00 N ATOM 699 CA TYR A 47 -5.322 8.636 -2.624 1.00 1.00 C ATOM 700 C TYR A 47 -4.851 7.885 -3.872 1.00 1.00 C ATOM 701 O TYR A 47 -4.087 8.421 -4.668 1.00 1.00 O ATOM 702 CB TYR A 47 -4.501 8.164 -1.372 1.00 1.00 C ATOM 703 CG TYR A 47 -3.280 7.331 -1.801 1.00 1.00 C ATOM 704 CD1 TYR A 47 -2.173 7.969 -2.373 1.00 1.00 C ATOM 705 CD2 TYR A 47 -3.293 5.936 -1.672 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.079 7.217 -2.814 1.00 1.00 C ATOM 707 CE2 TYR A 47 -2.200 5.181 -2.112 1.00 1.00 C ATOM 708 CZ TYR A 47 -1.094 5.822 -2.684 1.00 1.00 C ATOM 709 OH TYR A 47 -0.029 5.074 -3.128 1.00 1.00 O ATOM 0 H TYR A 47 -6.969 7.888 -1.556 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.156 9.702 -2.778 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -4.172 9.031 -0.799 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -5.139 7.572 -0.716 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -2.164 9.044 -2.474 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -4.147 5.443 -1.233 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -0.225 7.711 -3.254 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -2.209 4.106 -2.011 1.00 1.00 H new ATOM 0 HH TYR A 47 -0.203 4.124 -2.960 1.00 1.00 H new ATOM 719 N ILE A 48 -5.262 6.625 -3.998 1.00 1.00 N ATOM 720 CA ILE A 48 -4.814 5.792 -5.117 1.00 1.00 C ATOM 721 C ILE A 48 -5.235 6.397 -6.452 1.00 1.00 C ATOM 722 O ILE A 48 -4.444 6.441 -7.397 1.00 1.00 O ATOM 723 CB ILE A 48 -5.422 4.355 -4.999 1.00 1.00 C ATOM 724 CG1 ILE A 48 -5.139 3.772 -3.597 1.00 1.00 C ATOM 725 CG2 ILE A 48 -4.791 3.443 -6.065 1.00 1.00 C ATOM 726 CD1 ILE A 48 -5.787 2.386 -3.424 1.00 1.00 C ATOM 0 H ILE A 48 -5.897 6.161 -3.349 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.726 5.739 -5.076 1.00 1.00 H new ATOM 0 HB ILE A 48 -6.500 4.412 -5.152 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -4.063 3.694 -3.444 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.521 4.451 -2.835 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -5.214 2.442 -5.984 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -4.998 3.845 -7.057 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -3.713 3.395 -5.911 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.569 2.004 -2.427 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -6.866 2.470 -3.552 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -5.386 1.701 -4.171 1.00 1.00 H new ATOM 738 N HIS A 49 -6.485 6.834 -6.535 1.00 1.00 N ATOM 739 CA HIS A 49 -7.001 7.406 -7.776 1.00 1.00 C ATOM 740 C HIS A 49 -6.444 8.806 -8.011 1.00 1.00 C ATOM 741 O HIS A 49 -6.452 9.298 -9.139 1.00 1.00 O ATOM 742 CB HIS A 49 -8.530 7.508 -7.681 1.00 1.00 C ATOM 743 CG HIS A 49 -9.149 6.153 -7.477 1.00 1.00 C ATOM 744 ND1 HIS A 49 -8.410 4.999 -7.282 1.00 1.00 N ATOM 745 CD2 HIS A 49 -10.468 5.765 -7.445 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.279 3.985 -7.143 1.00 1.00 C ATOM 747 NE2 HIS A 49 -10.548 4.389 -7.233 1.00 1.00 N ATOM 0 H HIS A 49 -7.156 6.805 -5.767 1.00 1.00 H new ATOM 0 HA HIS A 49 -6.699 6.760 -8.601 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.804 8.165 -6.855 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.925 7.959 -8.591 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -11.314 6.426 -7.566 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -8.985 2.959 -6.977 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -11.390 3.818 -7.162 1.00 1.00 H new ATOM 756 N SER A 50 -6.003 9.470 -6.938 1.00 1.00 N ATOM 757 CA SER A 50 -5.493 10.839 -7.038 1.00 1.00 C ATOM 758 C SER A 50 -4.023 10.851 -7.401 1.00 1.00 C ATOM 759 O SER A 50 -3.448 11.910 -7.646 1.00 1.00 O ATOM 760 CB SER A 50 -5.709 11.549 -5.698 1.00 1.00 C ATOM 761 OG SER A 50 -5.227 12.880 -5.792 1.00 1.00 O ATOM 0 H SER A 50 -5.989 9.083 -5.994 1.00 1.00 H new ATOM 0 HA SER A 50 -6.034 11.360 -7.828 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.768 11.550 -5.440 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.188 11.016 -4.902 1.00 1.00 H new ATOM 0 HG SER A 50 -4.538 12.930 -6.487 1.00 1.00 H new ATOM 767 N LYS A 51 -3.413 9.663 -7.429 1.00 1.00 N ATOM 768 CA LYS A 51 -1.998 9.517 -7.755 1.00 1.00 C ATOM 769 C LYS A 51 -1.843 9.101 -9.209 1.00 1.00 C ATOM 770 O LYS A 51 -2.808 8.687 -9.845 1.00 1.00 O ATOM 771 CB LYS A 51 -1.370 8.458 -6.785 1.00 1.00 C ATOM 772 CG LYS A 51 -0.004 8.920 -6.243 1.00 1.00 C ATOM 773 CD LYS A 51 -0.154 10.074 -5.219 1.00 1.00 C ATOM 774 CE LYS A 51 1.214 10.462 -4.654 1.00 1.00 C ATOM 775 NZ LYS A 51 1.818 9.294 -3.956 1.00 1.00 N ATOM 0 H LYS A 51 -3.886 8.782 -7.227 1.00 1.00 H new ATOM 0 HA LYS A 51 -1.476 10.466 -7.627 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -2.050 8.279 -5.952 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -1.252 7.510 -7.309 1.00 1.00 H new ATOM 0 HG2 LYS A 51 0.504 8.079 -5.771 1.00 1.00 H new ATOM 0 HG3 LYS A 51 0.624 9.248 -7.071 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -0.615 10.937 -5.698 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -0.816 9.767 -4.409 1.00 1.00 H new ATOM 0 HE2 LYS A 51 1.869 10.796 -5.459 1.00 1.00 H new ATOM 0 HE3 LYS A 51 1.109 11.297 -3.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 1.798 9.455 -2.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 1.276 8.436 -4.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 2.803 9.174 -4.268 1.00 1.00 H new ATOM 789 N LYS A 52 -0.613 9.237 -9.720 1.00 1.00 N ATOM 790 CA LYS A 52 -0.280 8.892 -11.112 1.00 1.00 C ATOM 791 C LYS A 52 0.822 7.834 -11.136 1.00 1.00 C ATOM 792 O LYS A 52 1.406 7.500 -10.103 1.00 1.00 O ATOM 793 CB LYS A 52 0.189 10.150 -11.854 1.00 1.00 C ATOM 794 CG LYS A 52 -0.955 11.174 -11.892 1.00 1.00 C ATOM 795 CD LYS A 52 -0.514 12.416 -12.676 1.00 1.00 C ATOM 796 CE LYS A 52 -1.668 13.423 -12.737 1.00 1.00 C ATOM 797 NZ LYS A 52 -2.010 13.861 -11.354 1.00 1.00 N ATOM 0 H LYS A 52 0.180 9.589 -9.183 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.166 8.492 -11.605 1.00 1.00 H new ATOM 0 HB2 LYS A 52 1.058 10.578 -11.355 1.00 1.00 H new ATOM 0 HB3 LYS A 52 0.497 9.894 -12.868 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -1.836 10.732 -12.358 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.238 11.455 -10.878 1.00 1.00 H new ATOM 0 HD2 LYS A 52 0.354 12.871 -12.198 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -0.211 12.133 -13.684 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -1.384 14.283 -13.344 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -2.537 12.970 -13.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -2.530 14.761 -11.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -2.603 13.138 -10.898 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -1.136 13.990 -10.805 1.00 1.00 H new ATOM 811 N VAL A 53 1.072 7.295 -12.328 1.00 1.00 N ATOM 812 CA VAL A 53 2.085 6.248 -12.508 1.00 1.00 C ATOM 813 C VAL A 53 3.499 6.815 -12.350 1.00 1.00 C ATOM 814 O VAL A 53 3.840 7.844 -12.934 1.00 1.00 O ATOM 815 CB VAL A 53 1.947 5.613 -13.914 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.878 4.390 -14.042 1.00 1.00 C ATOM 817 CG2 VAL A 53 0.495 5.165 -14.143 1.00 1.00 C ATOM 0 H VAL A 53 0.589 7.564 -13.185 1.00 1.00 H new ATOM 0 HA VAL A 53 1.923 5.491 -11.741 1.00 1.00 H new ATOM 0 HB VAL A 53 2.225 6.358 -14.660 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.771 3.953 -15.035 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.912 4.702 -13.893 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.610 3.649 -13.289 1.00 1.00 H new ATOM 0 HG21 VAL A 53 0.404 4.719 -15.133 1.00 1.00 H new ATOM 0 HG22 VAL A 53 0.217 4.430 -13.387 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.168 6.028 -14.071 1.00 1.00 H new ATOM 827 N GLY A 54 4.320 6.117 -11.562 1.00 1.00 N ATOM 828 CA GLY A 54 5.713 6.518 -11.325 1.00 1.00 C ATOM 829 C GLY A 54 5.823 7.415 -10.100 1.00 1.00 C ATOM 830 O GLY A 54 6.918 7.785 -9.681 1.00 1.00 O ATOM 0 H GLY A 54 4.044 5.265 -11.073 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.332 5.631 -11.187 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.098 7.042 -12.200 1.00 1.00 H new ATOM 834 N ASP A 55 4.673 7.763 -9.536 1.00 1.00 N ATOM 835 CA ASP A 55 4.621 8.624 -8.356 1.00 1.00 C ATOM 836 C ASP A 55 5.197 7.906 -7.136 1.00 1.00 C ATOM 837 O ASP A 55 5.021 6.701 -6.975 1.00 1.00 O ATOM 838 CB ASP A 55 3.156 9.010 -8.078 1.00 1.00 C ATOM 839 CG ASP A 55 2.608 9.854 -9.228 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.101 9.699 -10.334 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.716 10.649 -8.982 1.00 1.00 O ATOM 0 H ASP A 55 3.760 7.462 -9.876 1.00 1.00 H new ATOM 0 HA ASP A 55 5.216 9.517 -8.545 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.552 8.111 -7.956 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.090 9.568 -7.144 1.00 1.00 H new ATOM 846 N THR A 56 5.879 8.666 -6.269 1.00 1.00 N ATOM 847 CA THR A 56 6.466 8.110 -5.038 1.00 1.00 C ATOM 848 C THR A 56 5.443 8.212 -3.910 1.00 1.00 C ATOM 849 O THR A 56 4.565 9.077 -3.944 1.00 1.00 O ATOM 850 CB THR A 56 7.740 8.892 -4.660 1.00 1.00 C ATOM 851 OG1 THR A 56 8.621 8.909 -5.771 1.00 1.00 O ATOM 852 CG2 THR A 56 8.446 8.226 -3.464 1.00 1.00 C ATOM 0 H THR A 56 6.039 9.666 -6.395 1.00 1.00 H new ATOM 0 HA THR A 56 6.732 7.066 -5.201 1.00 1.00 H new ATOM 0 HB THR A 56 7.462 9.909 -4.384 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.432 9.406 -5.537 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.343 8.791 -3.211 1.00 1.00 H new ATOM 0 HG22 THR A 56 7.773 8.210 -2.607 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.722 7.205 -3.727 1.00 1.00 H new ATOM 860 N VAL A 57 5.551 7.319 -2.914 1.00 1.00 N ATOM 861 CA VAL A 57 4.612 7.317 -1.777 1.00 1.00 C ATOM 862 C VAL A 57 5.350 7.036 -0.472 1.00 1.00 C ATOM 863 O VAL A 57 6.456 6.493 -0.464 1.00 1.00 O ATOM 864 CB VAL A 57 3.501 6.228 -1.997 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.911 4.834 -1.410 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.167 6.691 -1.364 1.00 1.00 C ATOM 0 H VAL A 57 6.269 6.596 -2.870 1.00 1.00 H new ATOM 0 HA VAL A 57 4.147 8.301 -1.715 1.00 1.00 H new ATOM 0 HB VAL A 57 3.377 6.108 -3.073 1.00 1.00 H new ATOM 0 HG11 VAL A 57 3.111 4.115 -1.587 1.00 1.00 H new ATOM 0 HG12 VAL A 57 4.823 4.488 -1.896 1.00 1.00 H new ATOM 0 HG13 VAL A 57 4.084 4.927 -0.338 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.405 5.928 -1.523 1.00 1.00 H new ATOM 0 HG22 VAL A 57 2.307 6.847 -0.294 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.849 7.624 -1.828 1.00 1.00 H new ATOM 876 N LYS A 58 4.688 7.393 0.628 1.00 1.00 N ATOM 877 CA LYS A 58 5.210 7.166 1.983 1.00 1.00 C ATOM 878 C LYS A 58 4.254 6.217 2.693 1.00 1.00 C ATOM 879 O LYS A 58 3.096 6.560 2.901 1.00 1.00 O ATOM 880 CB LYS A 58 5.284 8.503 2.738 1.00 1.00 C ATOM 881 CG LYS A 58 5.940 8.293 4.111 1.00 1.00 C ATOM 882 CD LYS A 58 6.081 9.642 4.827 1.00 1.00 C ATOM 883 CE LYS A 58 6.765 9.435 6.180 1.00 1.00 C ATOM 884 NZ LYS A 58 5.954 8.491 7.001 1.00 1.00 N ATOM 0 H LYS A 58 3.775 7.848 0.609 1.00 1.00 H new ATOM 0 HA LYS A 58 6.211 6.737 1.945 1.00 1.00 H new ATOM 0 HB2 LYS A 58 5.857 9.227 2.158 1.00 1.00 H new ATOM 0 HB3 LYS A 58 4.283 8.916 2.863 1.00 1.00 H new ATOM 0 HG2 LYS A 58 5.338 7.612 4.712 1.00 1.00 H new ATOM 0 HG3 LYS A 58 6.919 7.830 3.990 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.663 10.331 4.215 1.00 1.00 H new ATOM 0 HD3 LYS A 58 5.099 10.094 4.970 1.00 1.00 H new ATOM 0 HE2 LYS A 58 7.770 9.039 6.036 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.869 10.389 6.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.740 8.927 7.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 5.066 8.274 6.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 6.490 7.612 7.151 1.00 1.00 H new ATOM 898 N ILE A 59 4.732 5.014 3.043 1.00 1.00 N ATOM 899 CA ILE A 59 3.895 3.994 3.706 1.00 1.00 C ATOM 900 C ILE A 59 4.202 3.919 5.191 1.00 1.00 C ATOM 901 O ILE A 59 5.353 4.033 5.592 1.00 1.00 O ATOM 902 CB ILE A 59 4.152 2.587 3.057 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.904 1.647 3.253 1.00 1.00 C ATOM 904 CG2 ILE A 59 5.414 1.908 3.671 1.00 1.00 C ATOM 905 CD1 ILE A 59 1.868 1.889 2.147 1.00 1.00 C ATOM 0 H ILE A 59 5.695 4.720 2.879 1.00 1.00 H new ATOM 0 HA ILE A 59 2.851 4.279 3.576 1.00 1.00 H new ATOM 0 HB ILE A 59 4.320 2.743 1.991 1.00 1.00 H new ATOM 0 HG12 ILE A 59 3.221 0.604 3.240 1.00 1.00 H new ATOM 0 HG13 ILE A 59 2.453 1.831 4.228 1.00 1.00 H new ATOM 0 HG21 ILE A 59 5.568 0.936 3.203 1.00 1.00 H new ATOM 0 HG22 ILE A 59 6.287 2.537 3.496 1.00 1.00 H new ATOM 0 HG23 ILE A 59 5.271 1.776 4.743 1.00 1.00 H new ATOM 0 HD11 ILE A 59 1.013 1.230 2.299 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.537 2.927 2.179 1.00 1.00 H new ATOM 0 HD13 ILE A 59 2.317 1.682 1.176 1.00 1.00 H new ATOM 917 N LYS A 60 3.173 3.697 6.002 1.00 1.00 N ATOM 918 CA LYS A 60 3.345 3.562 7.445 1.00 1.00 C ATOM 919 C LYS A 60 2.565 2.341 7.909 1.00 1.00 C ATOM 920 O LYS A 60 1.337 2.338 7.862 1.00 1.00 O ATOM 921 CB LYS A 60 2.802 4.826 8.160 1.00 1.00 C ATOM 922 CG LYS A 60 3.319 4.901 9.632 1.00 1.00 C ATOM 923 CD LYS A 60 4.732 5.572 9.698 1.00 1.00 C ATOM 924 CE LYS A 60 4.601 7.101 9.792 1.00 1.00 C ATOM 925 NZ LYS A 60 5.961 7.701 9.803 1.00 1.00 N ATOM 0 H LYS A 60 2.208 3.606 5.684 1.00 1.00 H new ATOM 0 HA LYS A 60 4.402 3.449 7.685 1.00 1.00 H new ATOM 0 HB2 LYS A 60 3.112 5.718 7.616 1.00 1.00 H new ATOM 0 HB3 LYS A 60 1.712 4.812 8.154 1.00 1.00 H new ATOM 0 HG2 LYS A 60 2.614 5.469 10.240 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.369 3.898 10.055 1.00 1.00 H new ATOM 0 HD2 LYS A 60 5.280 5.195 10.562 1.00 1.00 H new ATOM 0 HD3 LYS A 60 5.309 5.305 8.813 1.00 1.00 H new ATOM 0 HE2 LYS A 60 4.027 7.483 8.947 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.059 7.378 10.696 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 5.886 8.733 9.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 6.431 7.480 10.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 6.519 7.311 9.017 1.00 1.00 H new ATOM 939 N TYR A 61 3.271 1.310 8.360 1.00 1.00 N ATOM 940 CA TYR A 61 2.617 0.096 8.840 1.00 1.00 C ATOM 941 C TYR A 61 3.461 -0.551 9.933 1.00 1.00 C ATOM 942 O TYR A 61 4.686 -0.438 9.912 1.00 1.00 O ATOM 943 CB TYR A 61 2.398 -0.865 7.669 1.00 1.00 C ATOM 944 CG TYR A 61 3.726 -1.396 7.129 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.371 -2.469 7.755 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.302 -0.820 5.990 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.580 -2.962 7.250 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.511 -1.308 5.481 1.00 1.00 C ATOM 949 CZ TYR A 61 6.152 -2.381 6.113 1.00 1.00 C ATOM 950 OH TYR A 61 7.344 -2.864 5.617 1.00 1.00 O ATOM 0 H TYR A 61 4.290 1.289 8.404 1.00 1.00 H new ATOM 0 HA TYR A 61 1.646 0.346 9.267 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.775 -1.699 7.992 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.858 -0.354 6.872 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.933 -2.920 8.633 1.00 1.00 H new ATOM 0 HD2 TYR A 61 3.810 0.007 5.501 1.00 1.00 H new ATOM 0 HE1 TYR A 61 6.071 -3.791 7.738 1.00 1.00 H new ATOM 0 HE2 TYR A 61 5.949 -0.858 4.602 1.00 1.00 H new ATOM 0 HH TYR A 61 7.165 -3.471 4.869 1.00 1.00 H new ATOM 960 N LYS A 62 2.806 -1.234 10.888 1.00 1.00 N ATOM 961 CA LYS A 62 3.520 -1.905 11.990 1.00 1.00 C ATOM 962 C LYS A 62 3.434 -3.417 11.830 1.00 1.00 C ATOM 963 O LYS A 62 2.355 -3.995 11.946 1.00 1.00 O ATOM 964 CB LYS A 62 2.874 -1.518 13.332 1.00 1.00 C ATOM 965 CG LYS A 62 3.036 -0.012 13.576 1.00 1.00 C ATOM 966 CD LYS A 62 2.395 0.367 14.919 1.00 1.00 C ATOM 967 CE LYS A 62 2.523 1.875 15.141 1.00 1.00 C ATOM 968 NZ LYS A 62 3.965 2.253 15.134 1.00 1.00 N ATOM 0 H LYS A 62 1.792 -1.336 10.920 1.00 1.00 H new ATOM 0 HA LYS A 62 4.564 -1.594 11.969 1.00 1.00 H new ATOM 0 HB2 LYS A 62 1.817 -1.782 13.326 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.338 -2.078 14.144 1.00 1.00 H new ATOM 0 HG2 LYS A 62 4.093 0.254 13.579 1.00 1.00 H new ATOM 0 HG3 LYS A 62 2.568 0.550 12.767 1.00 1.00 H new ATOM 0 HD2 LYS A 62 1.345 0.076 14.927 1.00 1.00 H new ATOM 0 HD3 LYS A 62 2.882 -0.173 15.731 1.00 1.00 H new ATOM 0 HE2 LYS A 62 1.990 2.416 14.359 1.00 1.00 H new ATOM 0 HE3 LYS A 62 2.066 2.155 16.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 4.144 2.952 15.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 4.546 1.407 15.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 4.212 2.663 14.211 1.00 1.00 H new ATOM 982 N HIS A 63 4.582 -4.059 11.586 1.00 1.00 N ATOM 983 CA HIS A 63 4.632 -5.515 11.447 1.00 1.00 C ATOM 984 C HIS A 63 4.927 -6.110 12.820 1.00 1.00 C ATOM 985 O HIS A 63 6.016 -5.929 13.363 1.00 1.00 O ATOM 986 CB HIS A 63 5.730 -5.906 10.443 1.00 1.00 C ATOM 987 CG HIS A 63 5.702 -7.394 10.210 1.00 1.00 C ATOM 988 ND1 HIS A 63 6.650 -8.247 10.750 1.00 1.00 N ATOM 989 CD2 HIS A 63 4.825 -8.195 9.518 1.00 1.00 C ATOM 990 CE1 HIS A 63 6.325 -9.496 10.379 1.00 1.00 C ATOM 991 NE2 HIS A 63 5.222 -9.528 9.628 1.00 1.00 N ATOM 0 H HIS A 63 5.484 -3.594 11.481 1.00 1.00 H new ATOM 0 HA HIS A 63 3.682 -5.897 11.074 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.579 -5.378 9.501 1.00 1.00 H new ATOM 0 HB3 HIS A 63 6.707 -5.607 10.823 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.961 -7.846 8.973 1.00 1.00 H new ATOM 0 HE1 HIS A 63 6.891 -10.373 10.656 1.00 1.00 H new ATOM 0 HE2 HIS A 63 4.769 -10.347 9.223 1.00 1.00 H new ATOM 1000 N GLY A 64 3.947 -6.806 13.382 1.00 1.00 N ATOM 1001 CA GLY A 64 4.109 -7.405 14.702 1.00 1.00 C ATOM 1002 C GLY A 64 4.346 -6.324 15.762 1.00 1.00 C ATOM 1003 O GLY A 64 3.458 -5.512 16.031 1.00 1.00 O ATOM 0 H GLY A 64 3.038 -6.969 12.949 1.00 1.00 H new ATOM 0 HA2 GLY A 64 3.220 -7.982 14.956 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.948 -8.100 14.691 1.00 1.00 H new ATOM 1007 N ASN A 65 5.549 -6.322 16.366 1.00 1.00 N ATOM 1008 CA ASN A 65 5.911 -5.340 17.415 1.00 1.00 C ATOM 1009 C ASN A 65 7.010 -4.392 16.935 1.00 1.00 C ATOM 1010 O ASN A 65 7.432 -3.505 17.677 1.00 1.00 O ATOM 1011 CB ASN A 65 6.390 -6.087 18.670 1.00 1.00 C ATOM 1012 CG ASN A 65 7.610 -6.954 18.359 1.00 1.00 C ATOM 1013 OD1 ASN A 65 7.757 -7.481 17.257 1.00 1.00 O ATOM 1014 ND2 ASN A 65 8.508 -7.147 19.287 1.00 1.00 N ATOM 0 H ASN A 65 6.290 -6.988 16.148 1.00 1.00 H new ATOM 0 HA ASN A 65 5.027 -4.746 17.646 1.00 1.00 H new ATOM 0 HB2 ASN A 65 6.639 -5.369 19.452 1.00 1.00 H new ATOM 0 HB3 ASN A 65 5.584 -6.712 19.056 1.00 1.00 H new ATOM 0 HD21 ASN A 65 9.322 -7.730 19.095 1.00 1.00 H new ATOM 0 HD22 ASN A 65 8.395 -6.714 20.204 1.00 1.00 H new ATOM 1021 N LYS A 66 7.471 -4.589 15.692 1.00 1.00 N ATOM 1022 CA LYS A 66 8.536 -3.757 15.099 1.00 1.00 C ATOM 1023 C LYS A 66 7.975 -2.876 13.974 1.00 1.00 C ATOM 1024 O LYS A 66 7.375 -3.362 13.019 1.00 1.00 O ATOM 1025 CB LYS A 66 9.672 -4.664 14.555 1.00 1.00 C ATOM 1026 CG LYS A 66 9.105 -5.803 13.677 1.00 1.00 C ATOM 1027 CD LYS A 66 10.228 -6.771 13.232 1.00 1.00 C ATOM 1028 CE LYS A 66 11.230 -6.076 12.287 1.00 1.00 C ATOM 1029 NZ LYS A 66 10.490 -5.343 11.223 1.00 1.00 N ATOM 0 H LYS A 66 7.123 -5.320 15.072 1.00 1.00 H new ATOM 0 HA LYS A 66 8.940 -3.105 15.873 1.00 1.00 H new ATOM 0 HB2 LYS A 66 10.371 -4.065 13.972 1.00 1.00 H new ATOM 0 HB3 LYS A 66 10.233 -5.088 15.388 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.346 -6.352 14.233 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.615 -5.381 12.800 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.754 -7.148 14.109 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.789 -7.633 12.729 1.00 1.00 H new ATOM 0 HE2 LYS A 66 11.856 -5.384 12.850 1.00 1.00 H new ATOM 0 HE3 LYS A 66 11.894 -6.815 11.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.964 -5.487 10.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 9.515 -5.701 11.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.474 -4.328 11.448 1.00 1.00 H new ATOM 1043 N ASN A 67 8.168 -1.558 14.110 1.00 1.00 N ATOM 1044 CA ASN A 67 7.688 -0.600 13.119 1.00 1.00 C ATOM 1045 C ASN A 67 8.667 -0.510 11.949 1.00 1.00 C ATOM 1046 O ASN A 67 9.870 -0.324 12.133 1.00 1.00 O ATOM 1047 CB ASN A 67 7.505 0.780 13.769 1.00 1.00 C ATOM 1048 CG ASN A 67 8.830 1.320 14.299 1.00 1.00 C ATOM 1049 OD1 ASN A 67 9.811 0.586 14.423 1.00 1.00 O ATOM 1050 ND2 ASN A 67 8.928 2.581 14.620 1.00 1.00 N ATOM 0 H ASN A 67 8.655 -1.135 14.900 1.00 1.00 H new ATOM 0 HA ASN A 67 6.725 -0.941 12.738 1.00 1.00 H new ATOM 0 HB2 ASN A 67 7.091 1.476 13.040 1.00 1.00 H new ATOM 0 HB3 ASN A 67 6.786 0.708 14.585 1.00 1.00 H new ATOM 0 HD21 ASN A 67 9.812 2.951 14.970 1.00 1.00 H new ATOM 0 HD22 ASN A 67 8.121 3.197 14.521 1.00 1.00 H new ATOM 1057 N GLU A 68 8.125 -0.664 10.742 1.00 1.00 N ATOM 1058 CA GLU A 68 8.909 -0.617 9.496 1.00 1.00 C ATOM 1059 C GLU A 68 8.300 0.409 8.550 1.00 1.00 C ATOM 1060 O GLU A 68 7.091 0.636 8.555 1.00 1.00 O ATOM 1061 CB GLU A 68 8.903 -2.006 8.834 1.00 1.00 C ATOM 1062 CG GLU A 68 9.590 -3.038 9.755 1.00 1.00 C ATOM 1063 CD GLU A 68 11.084 -2.734 9.901 1.00 1.00 C ATOM 1064 OE1 GLU A 68 11.630 -2.072 9.034 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.664 -3.162 10.886 1.00 1.00 O ATOM 0 H GLU A 68 7.129 -0.825 10.594 1.00 1.00 H new ATOM 0 HA GLU A 68 9.936 -0.331 9.722 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.878 -2.315 8.630 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.420 -1.962 7.875 1.00 1.00 H new ATOM 0 HG2 GLU A 68 9.116 -3.028 10.736 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.457 -4.040 9.347 1.00 1.00 H new ATOM 1072 N GLU A 69 9.157 1.034 7.735 1.00 1.00 N ATOM 1073 CA GLU A 69 8.735 2.049 6.764 1.00 1.00 C ATOM 1074 C GLU A 69 9.530 1.869 5.472 1.00 1.00 C ATOM 1075 O GLU A 69 10.743 1.665 5.497 1.00 1.00 O ATOM 1076 CB GLU A 69 8.972 3.455 7.352 1.00 1.00 C ATOM 1077 CG GLU A 69 8.660 4.557 6.307 1.00 1.00 C ATOM 1078 CD GLU A 69 8.636 5.937 6.965 1.00 1.00 C ATOM 1079 OE1 GLU A 69 9.552 6.250 7.708 1.00 1.00 O ATOM 1080 OE2 GLU A 69 7.698 6.675 6.709 1.00 1.00 O ATOM 0 H GLU A 69 10.160 0.851 7.730 1.00 1.00 H new ATOM 0 HA GLU A 69 7.673 1.937 6.546 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.344 3.595 8.232 1.00 1.00 H new ATOM 0 HB3 GLU A 69 10.007 3.545 7.682 1.00 1.00 H new ATOM 0 HG2 GLU A 69 9.411 4.539 5.517 1.00 1.00 H new ATOM 0 HG3 GLU A 69 7.697 4.357 5.837 1.00 1.00 H new ATOM 1087 N ALA A 70 8.825 1.933 4.343 1.00 1.00 N ATOM 1088 CA ALA A 70 9.458 1.764 3.021 1.00 1.00 C ATOM 1089 C ALA A 70 8.744 2.598 1.954 1.00 1.00 C ATOM 1090 O ALA A 70 7.530 2.706 1.936 1.00 1.00 O ATOM 1091 CB ALA A 70 9.406 0.286 2.629 1.00 1.00 C ATOM 0 H ALA A 70 7.819 2.100 4.309 1.00 1.00 H new ATOM 0 HA ALA A 70 10.491 2.105 3.085 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.872 0.152 1.653 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.941 -0.306 3.371 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.368 -0.042 2.584 1.00 1.00 H new ATOM 1097 N SER A 71 9.521 3.161 1.040 1.00 1.00 N ATOM 1098 CA SER A 71 8.951 3.964 -0.050 1.00 1.00 C ATOM 1099 C SER A 71 8.558 3.035 -1.189 1.00 1.00 C ATOM 1100 O SER A 71 9.314 2.126 -1.537 1.00 1.00 O ATOM 1101 CB SER A 71 9.976 4.979 -0.544 1.00 1.00 C ATOM 1102 OG SER A 71 11.097 4.286 -1.079 1.00 1.00 O ATOM 0 H SER A 71 10.538 3.083 1.024 1.00 1.00 H new ATOM 0 HA SER A 71 8.074 4.501 0.311 1.00 1.00 H new ATOM 0 HB2 SER A 71 9.533 5.621 -1.305 1.00 1.00 H new ATOM 0 HB3 SER A 71 10.290 5.626 0.275 1.00 1.00 H new ATOM 0 HG SER A 71 11.759 4.933 -1.400 1.00 1.00 H new ATOM 1108 N ILE A 72 7.356 3.244 -1.752 1.00 1.00 N ATOM 1109 CA ILE A 72 6.846 2.395 -2.846 1.00 1.00 C ATOM 1110 C ILE A 72 6.372 3.265 -4.001 1.00 1.00 C ATOM 1111 O ILE A 72 5.495 4.109 -3.845 1.00 1.00 O ATOM 1112 CB ILE A 72 5.666 1.540 -2.325 1.00 1.00 C ATOM 1113 CG1 ILE A 72 6.127 0.733 -1.085 1.00 1.00 C ATOM 1114 CG2 ILE A 72 5.190 0.567 -3.432 1.00 1.00 C ATOM 1115 CD1 ILE A 72 4.935 0.021 -0.442 1.00 1.00 C ATOM 0 H ILE A 72 6.720 3.990 -1.470 1.00 1.00 H new ATOM 0 HA ILE A 72 7.646 1.742 -3.196 1.00 1.00 H new ATOM 0 HB ILE A 72 4.840 2.195 -2.049 1.00 1.00 H new ATOM 0 HG12 ILE A 72 6.881 0.002 -1.378 1.00 1.00 H new ATOM 0 HG13 ILE A 72 6.594 1.401 -0.361 1.00 1.00 H new ATOM 0 HG21 ILE A 72 4.359 -0.031 -3.058 1.00 1.00 H new ATOM 0 HG22 ILE A 72 4.864 1.137 -4.302 1.00 1.00 H new ATOM 0 HG23 ILE A 72 6.012 -0.090 -3.716 1.00 1.00 H new ATOM 0 HD11 ILE A 72 5.273 -0.542 0.428 1.00 1.00 H new ATOM 0 HD12 ILE A 72 4.195 0.759 -0.131 1.00 1.00 H new ATOM 0 HD13 ILE A 72 4.486 -0.661 -1.164 1.00 1.00 H new ATOM 1127 N LYS A 73 6.943 3.050 -5.179 1.00 1.00 N ATOM 1128 CA LYS A 73 6.559 3.807 -6.355 1.00 1.00 C ATOM 1129 C LYS A 73 5.304 3.199 -6.968 1.00 1.00 C ATOM 1130 O LYS A 73 5.163 1.979 -7.033 1.00 1.00 O ATOM 1131 CB LYS A 73 7.718 3.776 -7.359 1.00 1.00 C ATOM 1132 CG LYS A 73 7.437 4.713 -8.550 1.00 1.00 C ATOM 1133 CD LYS A 73 8.680 4.797 -9.471 1.00 1.00 C ATOM 1134 CE LYS A 73 8.969 3.436 -10.154 1.00 1.00 C ATOM 1135 NZ LYS A 73 7.706 2.853 -10.687 1.00 1.00 N ATOM 0 H LYS A 73 7.673 2.357 -5.342 1.00 1.00 H new ATOM 0 HA LYS A 73 6.343 4.841 -6.085 1.00 1.00 H new ATOM 0 HB2 LYS A 73 8.642 4.077 -6.864 1.00 1.00 H new ATOM 0 HB3 LYS A 73 7.866 2.758 -7.719 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.580 4.347 -9.116 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.177 5.707 -8.186 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.520 5.561 -10.232 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.548 5.105 -8.887 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.686 3.571 -10.963 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.422 2.750 -9.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 7.931 2.109 -11.378 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 7.155 2.444 -9.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 7.148 3.598 -11.151 1.00 1.00 H new ATOM 1149 N LEU A 74 4.380 4.052 -7.393 1.00 1.00 N ATOM 1150 CA LEU A 74 3.128 3.582 -7.976 1.00 1.00 C ATOM 1151 C LEU A 74 3.385 2.945 -9.342 1.00 1.00 C ATOM 1152 O LEU A 74 4.240 3.390 -10.105 1.00 1.00 O ATOM 1153 CB LEU A 74 2.142 4.776 -8.113 1.00 1.00 C ATOM 1154 CG LEU A 74 1.302 4.997 -6.822 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.356 3.784 -6.533 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.250 5.251 -5.625 1.00 1.00 C ATOM 0 H LEU A 74 4.472 5.067 -7.346 1.00 1.00 H new ATOM 0 HA LEU A 74 2.689 2.827 -7.324 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.702 5.683 -8.339 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.472 4.597 -8.954 1.00 1.00 H new ATOM 0 HG LEU A 74 0.667 5.870 -6.971 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.214 3.976 -5.624 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.330 3.650 -7.370 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.952 2.880 -6.404 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.661 5.406 -4.721 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.904 4.389 -5.489 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.854 6.137 -5.821 1.00 1.00 H new ATOM 1168 N THR A 75 2.615 1.890 -9.629 1.00 1.00 N ATOM 1169 CA THR A 75 2.719 1.155 -10.892 1.00 1.00 C ATOM 1170 C THR A 75 1.342 0.703 -11.359 1.00 1.00 C ATOM 1171 O THR A 75 0.351 0.826 -10.638 1.00 1.00 O ATOM 1172 CB THR A 75 3.637 -0.058 -10.701 1.00 1.00 C ATOM 1173 OG1 THR A 75 3.044 -0.954 -9.770 1.00 1.00 O ATOM 1174 CG2 THR A 75 5.012 0.399 -10.173 1.00 1.00 C ATOM 0 H THR A 75 1.905 1.524 -8.995 1.00 1.00 H new ATOM 0 HA THR A 75 3.141 1.811 -11.653 1.00 1.00 H new ATOM 0 HB THR A 75 3.773 -0.560 -11.659 1.00 1.00 H new ATOM 0 HG1 THR A 75 3.542 -1.798 -9.766 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.658 -0.469 -10.040 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.467 1.084 -10.889 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.884 0.906 -9.216 1.00 1.00 H new ATOM 1182 N ALA A 76 1.301 0.166 -12.577 1.00 1.00 N ATOM 1183 CA ALA A 76 0.058 -0.332 -13.173 1.00 1.00 C ATOM 1184 C ALA A 76 -0.135 -1.801 -12.802 1.00 1.00 C ATOM 1185 O ALA A 76 0.829 -2.569 -12.770 1.00 1.00 O ATOM 1186 CB ALA A 76 0.137 -0.198 -14.696 1.00 1.00 C ATOM 0 H ALA A 76 2.120 0.063 -13.176 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.784 0.250 -12.797 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -0.786 -0.568 -15.142 1.00 1.00 H new ATOM 0 HB2 ALA A 76 0.275 0.850 -14.962 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.979 -0.781 -15.069 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.389 -2.185 -12.517 1.00 1.00 N ATOM 1193 CA ILE A 77 -1.731 -3.569 -12.134 1.00 1.00 C ATOM 1194 C ILE A 77 -2.936 -4.075 -12.936 1.00 1.00 C ATOM 1195 O ILE A 77 -2.951 -5.220 -13.390 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.004 -3.647 -10.609 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.256 -2.826 -10.174 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -0.767 -3.149 -9.844 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -3.154 -1.319 -10.501 1.00 1.00 C ATOM 0 H ILE A 77 -2.190 -1.554 -12.544 1.00 1.00 H new ATOM 0 HA ILE A 77 -0.884 -4.215 -12.367 1.00 1.00 H new ATOM 0 HB ILE A 77 -2.210 -4.690 -10.370 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.138 -3.237 -10.666 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -3.404 -2.947 -9.101 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -0.956 -3.203 -8.772 1.00 1.00 H new ATOM 0 HG22 ILE A 77 0.091 -3.774 -10.093 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -0.557 -2.117 -10.124 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.061 -0.813 -10.170 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -2.292 -0.893 -9.988 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.037 -1.187 -11.577 1.00 1.00 H new ATOM 1211 N ASP A 78 -3.945 -3.212 -13.107 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.171 -3.560 -13.847 1.00 1.00 C ATOM 1213 C ASP A 78 -5.105 -3.035 -15.280 1.00 1.00 C ATOM 1214 O ASP A 78 -4.365 -2.100 -15.590 1.00 1.00 O ATOM 1215 CB ASP A 78 -6.400 -2.959 -13.142 1.00 1.00 C ATOM 1216 CG ASP A 78 -6.574 -3.562 -11.750 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.441 -4.767 -11.615 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -6.858 -2.819 -10.824 1.00 1.00 O ATOM 0 H ASP A 78 -3.939 -2.260 -12.741 1.00 1.00 H new ATOM 0 HA ASP A 78 -5.257 -4.646 -13.872 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -6.287 -1.878 -13.064 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.294 -3.144 -13.738 1.00 1.00 H new ATOM 1223 N LYS A 79 -5.899 -3.659 -16.139 1.00 1.00 N ATOM 1224 CA LYS A 79 -5.977 -3.303 -17.553 1.00 1.00 C ATOM 1225 C LYS A 79 -6.242 -1.806 -17.756 1.00 1.00 C ATOM 1226 O LYS A 79 -5.872 -1.237 -18.782 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.112 -4.126 -18.194 1.00 1.00 C ATOM 1228 CG LYS A 79 -8.440 -3.873 -17.443 1.00 1.00 C ATOM 1229 CD LYS A 79 -9.550 -4.764 -18.026 1.00 1.00 C ATOM 1230 CE LYS A 79 -10.857 -4.546 -17.253 1.00 1.00 C ATOM 1231 NZ LYS A 79 -11.275 -3.119 -17.368 1.00 1.00 N ATOM 0 H LYS A 79 -6.511 -4.431 -15.875 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.019 -3.525 -18.023 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -7.221 -3.854 -19.244 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.864 -5.187 -18.164 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -8.313 -4.084 -16.381 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -8.722 -2.824 -17.528 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -9.698 -4.531 -19.081 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -9.254 -5.812 -17.969 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -11.637 -5.197 -17.647 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -10.720 -4.812 -16.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -12.281 -3.031 -17.120 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -10.706 -2.537 -16.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -11.130 -2.792 -18.345 1.00 1.00 H new ATOM 1245 N LYS A 80 -6.893 -1.183 -16.774 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.226 0.251 -16.843 1.00 1.00 C ATOM 1247 C LYS A 80 -6.024 1.115 -16.444 1.00 1.00 C ATOM 1248 O LYS A 80 -6.163 2.319 -16.229 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.452 0.562 -15.938 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.330 -0.163 -14.582 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.498 0.246 -13.664 1.00 1.00 C ATOM 1252 CE LYS A 80 -9.421 -0.521 -12.336 1.00 1.00 C ATOM 1253 NZ LYS A 80 -8.155 -0.176 -11.637 1.00 1.00 N ATOM 0 H LYS A 80 -7.203 -1.644 -15.918 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.483 0.494 -17.874 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.526 1.637 -15.775 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.368 0.252 -16.440 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.336 -1.242 -14.735 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.380 0.087 -14.110 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.464 1.319 -13.475 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -10.448 0.039 -14.157 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -10.276 -0.269 -11.708 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -9.466 -1.594 -12.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -7.559 -1.025 -11.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -7.649 0.555 -12.177 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -8.371 0.184 -10.685 1.00 1.00 H new ATOM 1267 N GLY A 81 -4.840 0.505 -16.373 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.622 1.243 -16.030 1.00 1.00 C ATOM 1269 C GLY A 81 -3.816 2.130 -14.804 1.00 1.00 C ATOM 1270 O GLY A 81 -3.326 3.260 -14.770 1.00 1.00 O ATOM 0 H GLY A 81 -4.698 -0.490 -16.547 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -2.812 0.538 -15.843 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.320 1.858 -16.878 1.00 1.00 H new ATOM 1274 N THR A 82 -4.544 1.630 -13.799 1.00 1.00 N ATOM 1275 CA THR A 82 -4.794 2.422 -12.594 1.00 1.00 C ATOM 1276 C THR A 82 -3.568 2.367 -11.655 1.00 1.00 C ATOM 1277 O THR A 82 -3.180 1.285 -11.229 1.00 1.00 O ATOM 1278 CB THR A 82 -6.022 1.894 -11.833 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.169 2.024 -12.663 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.256 2.720 -10.546 1.00 1.00 C ATOM 0 H THR A 82 -4.962 0.700 -13.796 1.00 1.00 H new ATOM 0 HA THR A 82 -4.979 3.450 -12.906 1.00 1.00 H new ATOM 0 HB THR A 82 -5.850 0.851 -11.567 1.00 1.00 H new ATOM 0 HG1 THR A 82 -7.827 2.602 -12.223 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.129 2.334 -10.019 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.380 2.645 -9.901 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.424 3.764 -10.809 1.00 1.00 H new ATOM 1288 N PRO A 83 -2.960 3.485 -11.292 1.00 1.00 N ATOM 1289 CA PRO A 83 -1.793 3.470 -10.342 1.00 1.00 C ATOM 1290 C PRO A 83 -2.164 2.798 -9.012 1.00 1.00 C ATOM 1291 O PRO A 83 -2.989 3.318 -8.269 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.458 4.972 -10.129 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.093 5.692 -11.275 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.288 4.856 -11.724 1.00 1.00 C ATOM 0 HA PRO A 83 -0.949 2.902 -10.734 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -1.849 5.330 -9.176 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.380 5.135 -10.113 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.412 6.690 -10.974 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.382 5.818 -12.092 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.213 5.206 -11.266 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.427 4.910 -12.804 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.542 1.662 -8.710 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.825 0.957 -7.460 1.00 1.00 C ATOM 1304 C GLY A 84 -0.992 -0.301 -7.344 1.00 1.00 C ATOM 1305 O GLY A 84 -0.217 -0.623 -8.239 1.00 1.00 O ATOM 0 H GLY A 84 -0.846 1.212 -9.305 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -1.619 1.613 -6.614 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.884 0.701 -7.415 1.00 1.00 H new ATOM 1309 N ILE A 85 -1.171 -1.019 -6.227 1.00 1.00 N ATOM 1310 CA ILE A 85 -0.451 -2.279 -5.970 1.00 1.00 C ATOM 1311 C ILE A 85 -1.407 -3.469 -6.158 1.00 1.00 C ATOM 1312 O ILE A 85 -2.587 -3.289 -6.459 1.00 1.00 O ATOM 1313 CB ILE A 85 0.160 -2.267 -4.540 1.00 1.00 C ATOM 1314 CG1 ILE A 85 -0.826 -1.614 -3.533 1.00 1.00 C ATOM 1315 CG2 ILE A 85 1.495 -1.479 -4.529 1.00 1.00 C ATOM 1316 CD1 ILE A 85 -0.324 -1.790 -2.081 1.00 1.00 C ATOM 0 H ILE A 85 -1.812 -0.748 -5.481 1.00 1.00 H new ATOM 0 HA ILE A 85 0.368 -2.381 -6.682 1.00 1.00 H new ATOM 0 HB ILE A 85 0.347 -3.299 -4.244 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -0.934 -0.553 -3.759 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -1.813 -2.065 -3.639 1.00 1.00 H new ATOM 0 HG21 ILE A 85 1.910 -1.480 -3.521 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.201 -1.950 -5.212 1.00 1.00 H new ATOM 0 HG23 ILE A 85 1.314 -0.452 -4.846 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -1.030 -1.325 -1.393 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -0.240 -2.852 -1.851 1.00 1.00 H new ATOM 0 HD13 ILE A 85 0.652 -1.317 -1.974 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.867 -4.688 -6.005 1.00 1.00 N ATOM 1329 CA GLY A 86 -1.632 -5.934 -6.177 1.00 1.00 C ATOM 1330 C GLY A 86 -1.876 -6.613 -4.841 1.00 1.00 C ATOM 1331 O GLY A 86 -1.134 -7.506 -4.431 1.00 1.00 O ATOM 0 H GLY A 86 0.111 -4.838 -5.759 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -2.586 -5.716 -6.657 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -1.089 -6.610 -6.838 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.929 -6.170 -4.169 1.00 1.00 N ATOM 1336 CA ILE A 87 -3.325 -6.708 -2.860 1.00 1.00 C ATOM 1337 C ILE A 87 -4.849 -6.668 -2.727 1.00 1.00 C ATOM 1338 O ILE A 87 -5.544 -6.049 -3.531 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.650 -5.893 -1.704 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.552 -4.397 -2.085 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -1.228 -6.420 -1.417 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -3.929 -3.795 -2.417 1.00 1.00 C ATOM 0 H ILE A 87 -3.539 -5.427 -4.510 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.990 -7.742 -2.785 1.00 1.00 H new ATOM 0 HB ILE A 87 -3.268 -6.011 -0.814 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -2.103 -3.842 -1.262 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -1.890 -4.284 -2.944 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.780 -5.839 -0.611 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -1.281 -7.468 -1.122 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.617 -6.326 -2.315 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -3.813 -2.743 -2.679 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -4.368 -4.332 -3.258 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -4.583 -3.883 -1.550 1.00 1.00 H new ATOM 1354 N THR A 88 -5.352 -7.347 -1.694 1.00 1.00 N ATOM 1355 CA THR A 88 -6.796 -7.403 -1.406 1.00 1.00 C ATOM 1356 C THR A 88 -7.033 -7.117 0.073 1.00 1.00 C ATOM 1357 O THR A 88 -6.371 -7.690 0.939 1.00 1.00 O ATOM 1358 CB THR A 88 -7.362 -8.781 -1.783 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.226 -8.957 -3.185 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.856 -8.885 -1.396 1.00 1.00 C ATOM 0 H THR A 88 -4.778 -7.872 -1.034 1.00 1.00 H new ATOM 0 HA THR A 88 -7.309 -6.648 -2.001 1.00 1.00 H new ATOM 0 HB THR A 88 -6.813 -9.553 -1.244 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.582 -9.834 -3.441 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.236 -9.869 -1.672 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.964 -8.743 -0.321 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.422 -8.117 -1.922 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.980 -6.209 0.345 1.00 1.00 N ATOM 1369 CA LEU A 89 -8.327 -5.805 1.707 1.00 1.00 C ATOM 1370 C LEU A 89 -9.720 -6.330 2.049 1.00 1.00 C ATOM 1371 O LEU A 89 -10.579 -6.442 1.177 1.00 1.00 O ATOM 1372 CB LEU A 89 -8.300 -4.257 1.801 1.00 1.00 C ATOM 1373 CG LEU A 89 -7.003 -3.692 1.172 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -7.023 -2.156 1.256 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -5.748 -4.248 1.888 1.00 1.00 C ATOM 0 H LEU A 89 -8.525 -5.736 -0.376 1.00 1.00 H new ATOM 0 HA LEU A 89 -7.608 -6.218 2.414 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -9.169 -3.842 1.290 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -8.367 -3.950 2.845 1.00 1.00 H new ATOM 0 HG LEU A 89 -6.958 -4.002 0.128 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -6.111 -1.756 0.814 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -7.888 -1.773 0.714 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -7.085 -1.849 2.300 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -4.852 -3.834 1.425 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.775 -3.967 2.941 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -5.732 -5.335 1.803 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.920 -6.656 3.330 1.00 1.00 N ATOM 1388 CA VAL A 90 -11.203 -7.184 3.835 1.00 1.00 C ATOM 1389 C VAL A 90 -11.868 -6.170 4.759 1.00 1.00 C ATOM 1390 O VAL A 90 -11.271 -5.156 5.114 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.970 -8.509 4.584 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -10.475 -9.580 3.599 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -9.917 -8.317 5.694 1.00 1.00 C ATOM 0 H VAL A 90 -9.202 -6.564 4.049 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.863 -7.367 2.987 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.911 -8.827 5.033 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.311 -10.517 4.132 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -11.223 -9.732 2.820 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -9.540 -9.252 3.145 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.762 -9.261 6.216 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.977 -7.989 5.251 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -10.267 -7.565 6.401 1.00 1.00 H new