USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 22 ASN : amide:sc= 1.02 K(o=1.4,f=-5!) USER MOD Set 1.2: A 45 ASN : amide:sc= 0.376 K(o=1.4,f=-6.6) USER MOD Set 2.1: A 31 THR OG1 : rot -60:sc= -0.202 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.396 K(o=-0.6,f=1.1) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= -1.14! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-0.77) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0526 (180deg=-0.441) USER MOD Single : A 30 ASN : amide:sc= 0.213 K(o=0.21,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= -0.0805 K(o=-0.081,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.056 (180deg=-0.369) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.12 K(o=1.1,f=-0.47) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0256) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 0.0994 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.568 -1.342 1.602 1.00 50.13 N ATOM 2 CA LYS A 1 -18.165 -2.595 2.226 1.00 4.14 C ATOM 3 C LYS A 1 -16.696 -2.551 2.600 1.00 72.33 C ATOM 4 O LYS A 1 -15.842 -2.310 1.741 1.00 42.53 O ATOM 5 CB LYS A 1 -18.425 -3.775 1.278 1.00 11.15 C ATOM 6 CG LYS A 1 -18.019 -5.138 1.839 1.00 32.44 C ATOM 7 CD LYS A 1 -18.317 -6.270 0.859 1.00 62.43 C ATOM 8 CE LYS A 1 -19.811 -6.421 0.613 1.00 15.13 C ATOM 9 NZ LYS A 1 -20.101 -7.480 -0.369 1.00 30.31 N ATOM 0 H1 LYS A 1 -19.576 -1.387 1.352 1.00 50.13 H new ATOM 0 H2 LYS A 1 -18.411 -0.557 2.266 1.00 50.13 H new ATOM 0 H3 LYS A 1 -18.004 -1.185 0.742 1.00 50.13 H new ATOM 0 HA LYS A 1 -18.757 -2.732 3.131 1.00 4.14 H new ATOM 0 HB2 LYS A 1 -19.486 -3.799 1.030 1.00 11.15 H new ATOM 0 HB3 LYS A 1 -17.884 -3.603 0.347 1.00 11.15 H new ATOM 0 HG2 LYS A 1 -16.954 -5.132 2.073 1.00 32.44 H new ATOM 0 HG3 LYS A 1 -18.550 -5.318 2.774 1.00 32.44 H new ATOM 0 HD2 LYS A 1 -17.810 -6.076 -0.086 1.00 62.43 H new ATOM 0 HD3 LYS A 1 -17.916 -7.205 1.250 1.00 62.43 H new ATOM 0 HE2 LYS A 1 -20.313 -6.650 1.553 1.00 15.13 H new ATOM 0 HE3 LYS A 1 -20.218 -5.474 0.257 1.00 15.13 H new ATOM 0 HZ1 LYS A 1 -21.129 -7.552 -0.509 1.00 30.31 H new ATOM 0 HZ2 LYS A 1 -19.644 -7.249 -1.274 1.00 30.31 H new ATOM 0 HZ3 LYS A 1 -19.735 -8.388 -0.018 1.00 30.31 H new ATOM 23 N PRO A 2 -16.366 -2.767 3.881 1.00 54.34 N ATOM 24 CA PRO A 2 -14.984 -2.838 4.309 1.00 43.22 C ATOM 25 C PRO A 2 -14.366 -4.153 3.825 1.00 54.13 C ATOM 26 O PRO A 2 -14.713 -5.234 4.309 1.00 22.34 O ATOM 27 CB PRO A 2 -15.063 -2.787 5.844 1.00 43.52 C ATOM 28 CG PRO A 2 -16.442 -3.248 6.190 1.00 65.22 C ATOM 29 CD PRO A 2 -17.319 -2.948 5.002 1.00 44.45 C ATOM 0 HA PRO A 2 -14.363 -2.036 3.910 1.00 43.22 H new ATOM 0 HB2 PRO A 2 -14.309 -3.431 6.297 1.00 43.52 H new ATOM 0 HB3 PRO A 2 -14.883 -1.777 6.213 1.00 43.52 H new ATOM 0 HG2 PRO A 2 -16.447 -4.315 6.413 1.00 65.22 H new ATOM 0 HG3 PRO A 2 -16.808 -2.735 7.079 1.00 65.22 H new ATOM 0 HD2 PRO A 2 -18.015 -3.763 4.805 1.00 44.45 H new ATOM 0 HD3 PRO A 2 -17.917 -2.051 5.165 1.00 44.45 H new ATOM 37 N VAL A 3 -13.514 -4.068 2.835 1.00 2.22 N ATOM 38 CA VAL A 3 -12.947 -5.254 2.235 1.00 22.11 C ATOM 39 C VAL A 3 -11.681 -5.729 2.940 1.00 11.45 C ATOM 40 O VAL A 3 -10.602 -5.160 2.788 1.00 74.44 O ATOM 41 CB VAL A 3 -12.728 -5.106 0.689 1.00 23.25 C ATOM 42 CG1 VAL A 3 -14.070 -4.991 -0.019 1.00 63.23 C ATOM 43 CG2 VAL A 3 -11.867 -3.883 0.357 1.00 12.43 C ATOM 0 H VAL A 3 -13.196 -3.190 2.425 1.00 2.22 H new ATOM 0 HA VAL A 3 -13.694 -6.035 2.375 1.00 22.11 H new ATOM 0 HB VAL A 3 -12.203 -5.996 0.342 1.00 23.25 H new ATOM 0 HG11 VAL A 3 -13.908 -4.889 -1.092 1.00 63.23 H new ATOM 0 HG12 VAL A 3 -14.661 -5.886 0.175 1.00 63.23 H new ATOM 0 HG13 VAL A 3 -14.603 -4.116 0.352 1.00 63.23 H new ATOM 0 HG21 VAL A 3 -11.736 -3.812 -0.723 1.00 12.43 H new ATOM 0 HG22 VAL A 3 -12.359 -2.982 0.723 1.00 12.43 H new ATOM 0 HG23 VAL A 3 -10.892 -3.984 0.835 1.00 12.43 H new ATOM 53 N SER A 4 -11.833 -6.747 3.743 1.00 72.54 N ATOM 54 CA SER A 4 -10.712 -7.350 4.401 1.00 53.30 C ATOM 55 C SER A 4 -10.213 -8.496 3.524 1.00 11.24 C ATOM 56 O SER A 4 -9.018 -8.800 3.483 1.00 44.41 O ATOM 57 CB SER A 4 -11.111 -7.849 5.798 1.00 53.13 C ATOM 58 OG SER A 4 -9.986 -8.340 6.520 1.00 12.04 O ATOM 0 H SER A 4 -12.732 -7.178 3.957 1.00 72.54 H new ATOM 0 HA SER A 4 -9.914 -6.620 4.539 1.00 53.30 H new ATOM 0 HB2 SER A 4 -11.576 -7.036 6.356 1.00 53.13 H new ATOM 0 HB3 SER A 4 -11.857 -8.639 5.704 1.00 53.13 H new ATOM 0 HG SER A 4 -10.274 -8.648 7.405 1.00 12.04 H new ATOM 64 N LEU A 5 -11.136 -9.118 2.819 1.00 65.14 N ATOM 65 CA LEU A 5 -10.806 -10.156 1.874 1.00 40.15 C ATOM 66 C LEU A 5 -10.519 -9.514 0.536 1.00 21.02 C ATOM 67 O LEU A 5 -11.079 -8.454 0.230 1.00 73.20 O ATOM 68 CB LEU A 5 -11.947 -11.172 1.750 1.00 44.52 C ATOM 69 CG LEU A 5 -12.301 -11.952 3.024 1.00 72.13 C ATOM 70 CD1 LEU A 5 -13.465 -12.890 2.771 1.00 42.44 C ATOM 71 CD2 LEU A 5 -11.096 -12.736 3.520 1.00 61.01 C ATOM 0 H LEU A 5 -12.133 -8.916 2.887 1.00 65.14 H new ATOM 0 HA LEU A 5 -9.926 -10.697 2.223 1.00 40.15 H new ATOM 0 HB2 LEU A 5 -12.839 -10.645 1.411 1.00 44.52 H new ATOM 0 HB3 LEU A 5 -11.685 -11.888 0.971 1.00 44.52 H new ATOM 0 HG LEU A 5 -12.593 -11.235 3.792 1.00 72.13 H new ATOM 0 HD11 LEU A 5 -13.700 -13.433 3.686 1.00 42.44 H new ATOM 0 HD12 LEU A 5 -14.335 -12.314 2.458 1.00 42.44 H new ATOM 0 HD13 LEU A 5 -13.198 -13.598 1.987 1.00 42.44 H new ATOM 0 HD21 LEU A 5 -11.365 -13.283 4.424 1.00 61.01 H new ATOM 0 HD22 LEU A 5 -10.778 -13.440 2.751 1.00 61.01 H new ATOM 0 HD23 LEU A 5 -10.280 -12.048 3.741 1.00 61.01 H new ATOM 83 N SER A 6 -9.619 -10.129 -0.233 1.00 22.32 N ATOM 84 CA SER A 6 -9.210 -9.624 -1.551 1.00 20.30 C ATOM 85 C SER A 6 -8.449 -8.290 -1.422 1.00 43.02 C ATOM 86 O SER A 6 -8.305 -7.538 -2.388 1.00 12.30 O ATOM 87 CB SER A 6 -10.425 -9.491 -2.485 1.00 0.40 C ATOM 88 OG SER A 6 -11.055 -10.758 -2.687 1.00 60.43 O ATOM 0 H SER A 6 -9.150 -10.993 0.038 1.00 22.32 H new ATOM 0 HA SER A 6 -8.527 -10.348 -1.995 1.00 20.30 H new ATOM 0 HB2 SER A 6 -11.141 -8.788 -2.059 1.00 0.40 H new ATOM 0 HB3 SER A 6 -10.108 -9.081 -3.444 1.00 0.40 H new ATOM 0 HG SER A 6 -11.826 -10.649 -3.282 1.00 60.43 H new ATOM 94 N TYR A 7 -7.940 -8.024 -0.233 1.00 75.54 N ATOM 95 CA TYR A 7 -7.166 -6.830 0.010 1.00 60.11 C ATOM 96 C TYR A 7 -5.719 -7.153 -0.378 1.00 20.02 C ATOM 97 O TYR A 7 -5.058 -6.385 -1.089 1.00 51.22 O ATOM 98 CB TYR A 7 -7.294 -6.435 1.492 1.00 72.42 C ATOM 99 CG TYR A 7 -6.799 -5.046 1.829 1.00 0.44 C ATOM 100 CD1 TYR A 7 -7.594 -3.944 1.573 1.00 2.31 C ATOM 101 CD2 TYR A 7 -5.562 -4.836 2.406 1.00 51.30 C ATOM 102 CE1 TYR A 7 -7.174 -2.674 1.878 1.00 10.33 C ATOM 103 CE2 TYR A 7 -5.126 -3.560 2.723 1.00 21.12 C ATOM 104 CZ TYR A 7 -5.941 -2.482 2.457 1.00 11.45 C ATOM 105 OH TYR A 7 -5.529 -1.202 2.770 1.00 42.50 O ATOM 0 H TYR A 7 -8.052 -8.627 0.582 1.00 75.54 H new ATOM 0 HA TYR A 7 -7.518 -5.982 -0.577 1.00 60.11 H new ATOM 0 HB2 TYR A 7 -8.341 -6.512 1.784 1.00 72.42 H new ATOM 0 HB3 TYR A 7 -6.742 -7.157 2.094 1.00 72.42 H new ATOM 0 HD1 TYR A 7 -8.566 -4.086 1.124 1.00 2.31 H new ATOM 0 HD2 TYR A 7 -4.923 -5.682 2.614 1.00 51.30 H new ATOM 0 HE1 TYR A 7 -7.810 -1.827 1.664 1.00 10.33 H new ATOM 0 HE2 TYR A 7 -4.156 -3.412 3.174 1.00 21.12 H new ATOM 0 HH TYR A 7 -4.762 -1.245 3.379 1.00 42.50 H new ATOM 115 N ARG A 8 -5.265 -8.329 0.086 1.00 3.11 N ATOM 116 CA ARG A 8 -3.977 -8.951 -0.276 1.00 21.43 C ATOM 117 C ARG A 8 -2.746 -8.200 0.260 1.00 50.34 C ATOM 118 O ARG A 8 -2.069 -8.666 1.187 1.00 63.54 O ATOM 119 CB ARG A 8 -3.872 -9.151 -1.800 1.00 23.42 C ATOM 120 CG ARG A 8 -2.618 -9.872 -2.251 1.00 12.30 C ATOM 121 CD ARG A 8 -2.554 -9.975 -3.762 1.00 65.02 C ATOM 122 NE ARG A 8 -1.390 -10.747 -4.209 1.00 70.31 N ATOM 123 CZ ARG A 8 -0.756 -10.567 -5.375 1.00 51.33 C ATOM 124 NH1 ARG A 8 -1.140 -9.594 -6.210 1.00 21.51 N ATOM 125 NH2 ARG A 8 0.261 -11.356 -5.700 1.00 31.10 N ATOM 0 H ARG A 8 -5.801 -8.893 0.745 1.00 3.11 H new ATOM 0 HA ARG A 8 -3.971 -9.923 0.217 1.00 21.43 H new ATOM 0 HB2 ARG A 8 -4.742 -9.712 -2.141 1.00 23.42 H new ATOM 0 HB3 ARG A 8 -3.911 -8.176 -2.286 1.00 23.42 H new ATOM 0 HG2 ARG A 8 -1.739 -9.342 -1.883 1.00 12.30 H new ATOM 0 HG3 ARG A 8 -2.594 -10.871 -1.815 1.00 12.30 H new ATOM 0 HD2 ARG A 8 -3.465 -10.445 -4.133 1.00 65.02 H new ATOM 0 HD3 ARG A 8 -2.513 -8.975 -4.193 1.00 65.02 H new ATOM 0 HE ARG A 8 -1.038 -11.474 -3.587 1.00 70.31 H new ATOM 0 HH11 ARG A 8 -1.919 -8.985 -5.960 1.00 21.51 H new ATOM 0 HH12 ARG A 8 -0.654 -9.461 -7.097 1.00 21.51 H new ATOM 0 HH21 ARG A 8 0.557 -12.096 -5.063 1.00 31.10 H new ATOM 0 HH22 ARG A 8 0.747 -11.223 -6.587 1.00 31.10 H new ATOM 139 N CYS A 9 -2.478 -7.067 -0.311 1.00 44.23 N ATOM 140 CA CYS A 9 -1.311 -6.271 0.006 1.00 33.14 C ATOM 141 C CYS A 9 -1.643 -5.409 1.229 1.00 64.55 C ATOM 142 O CYS A 9 -2.777 -5.400 1.650 1.00 23.44 O ATOM 143 CB CYS A 9 -1.014 -5.409 -1.226 1.00 11.51 C ATOM 144 SG CYS A 9 -1.040 -6.380 -2.773 1.00 72.21 S ATOM 0 H CYS A 9 -3.072 -6.652 -1.028 1.00 44.23 H new ATOM 0 HA CYS A 9 -0.437 -6.877 0.243 1.00 33.14 H new ATOM 0 HB2 CYS A 9 -1.749 -4.606 -1.291 1.00 11.51 H new ATOM 0 HB3 CYS A 9 -0.037 -4.939 -1.111 1.00 11.51 H new ATOM 149 N PRO A 10 -0.675 -4.676 1.840 1.00 3.12 N ATOM 150 CA PRO A 10 -0.963 -3.796 3.009 1.00 41.30 C ATOM 151 C PRO A 10 -1.845 -2.601 2.618 1.00 42.31 C ATOM 152 O PRO A 10 -2.277 -1.814 3.467 1.00 0.51 O ATOM 153 CB PRO A 10 0.419 -3.315 3.423 1.00 51.23 C ATOM 154 CG PRO A 10 1.176 -3.368 2.162 1.00 1.50 C ATOM 155 CD PRO A 10 0.755 -4.640 1.508 1.00 70.40 C ATOM 0 HA PRO A 10 -1.506 -4.315 3.798 1.00 41.30 H new ATOM 0 HB2 PRO A 10 0.389 -2.306 3.834 1.00 51.23 H new ATOM 0 HB3 PRO A 10 0.859 -3.957 4.186 1.00 51.23 H new ATOM 0 HG2 PRO A 10 0.952 -2.508 1.531 1.00 1.50 H new ATOM 0 HG3 PRO A 10 2.250 -3.357 2.347 1.00 1.50 H new ATOM 0 HD2 PRO A 10 0.927 -4.625 0.432 1.00 70.40 H new ATOM 0 HD3 PRO A 10 1.291 -5.503 1.904 1.00 70.40 H new ATOM 163 N CYS A 11 -2.060 -2.453 1.329 1.00 62.54 N ATOM 164 CA CYS A 11 -2.969 -1.489 0.803 1.00 2.23 C ATOM 165 C CYS A 11 -3.291 -1.892 -0.614 1.00 62.13 C ATOM 166 O CYS A 11 -2.410 -2.383 -1.331 1.00 2.51 O ATOM 167 CB CYS A 11 -2.394 -0.082 0.837 1.00 32.31 C ATOM 168 SG CYS A 11 -3.638 1.186 0.481 1.00 1.45 S ATOM 0 H CYS A 11 -1.595 -3.014 0.615 1.00 62.54 H new ATOM 0 HA CYS A 11 -3.869 -1.469 1.418 1.00 2.23 H new ATOM 0 HB2 CYS A 11 -1.960 0.106 1.819 1.00 32.31 H new ATOM 0 HB3 CYS A 11 -1.585 -0.006 0.111 1.00 32.31 H new ATOM 173 N ARG A 12 -4.525 -1.729 -1.011 1.00 14.14 N ATOM 174 CA ARG A 12 -4.946 -2.111 -2.335 1.00 50.02 C ATOM 175 C ARG A 12 -5.146 -0.887 -3.222 1.00 23.24 C ATOM 176 O ARG A 12 -4.577 -0.802 -4.301 1.00 35.22 O ATOM 177 CB ARG A 12 -6.228 -2.951 -2.270 1.00 63.42 C ATOM 178 CG ARG A 12 -6.790 -3.343 -3.629 1.00 12.33 C ATOM 179 CD ARG A 12 -8.032 -4.198 -3.486 1.00 34.30 C ATOM 180 NE ARG A 12 -8.642 -4.508 -4.786 1.00 25.24 N ATOM 181 CZ ARG A 12 -9.700 -5.312 -4.964 1.00 21.03 C ATOM 182 NH1 ARG A 12 -10.228 -5.966 -3.933 1.00 12.32 N ATOM 183 NH2 ARG A 12 -10.206 -5.484 -6.185 1.00 10.22 N ATOM 0 H ARG A 12 -5.263 -1.330 -0.431 1.00 14.14 H new ATOM 0 HA ARG A 12 -4.158 -2.719 -2.779 1.00 50.02 H new ATOM 0 HB2 ARG A 12 -6.026 -3.857 -1.698 1.00 63.42 H new ATOM 0 HB3 ARG A 12 -6.987 -2.392 -1.723 1.00 63.42 H new ATOM 0 HG2 ARG A 12 -7.028 -2.445 -4.199 1.00 12.33 H new ATOM 0 HG3 ARG A 12 -6.034 -3.888 -4.194 1.00 12.33 H new ATOM 0 HD2 ARG A 12 -7.776 -5.126 -2.976 1.00 34.30 H new ATOM 0 HD3 ARG A 12 -8.758 -3.680 -2.860 1.00 34.30 H new ATOM 0 HE ARG A 12 -8.230 -4.080 -5.615 1.00 25.24 H new ATOM 0 HH11 ARG A 12 -9.828 -5.857 -3.001 1.00 12.32 H new ATOM 0 HH12 ARG A 12 -11.033 -6.576 -4.074 1.00 12.32 H new ATOM 0 HH21 ARG A 12 -9.788 -5.004 -6.982 1.00 10.22 H new ATOM 0 HH22 ARG A 12 -11.011 -6.095 -6.322 1.00 10.22 H new ATOM 197 N PHE A 13 -5.929 0.060 -2.759 1.00 33.44 N ATOM 198 CA PHE A 13 -6.245 1.235 -3.555 1.00 43.32 C ATOM 199 C PHE A 13 -5.353 2.398 -3.182 1.00 12.01 C ATOM 200 O PHE A 13 -5.154 2.685 -1.999 1.00 61.13 O ATOM 201 CB PHE A 13 -7.708 1.646 -3.368 1.00 5.43 C ATOM 202 CG PHE A 13 -8.708 0.582 -3.720 1.00 63.22 C ATOM 203 CD1 PHE A 13 -9.094 0.385 -5.032 1.00 41.41 C ATOM 204 CD2 PHE A 13 -9.263 -0.220 -2.734 1.00 2.22 C ATOM 205 CE1 PHE A 13 -10.011 -0.591 -5.361 1.00 74.11 C ATOM 206 CE2 PHE A 13 -10.183 -1.198 -3.055 1.00 34.24 C ATOM 207 CZ PHE A 13 -10.557 -1.385 -4.371 1.00 64.12 C ATOM 0 H PHE A 13 -6.362 0.044 -1.835 1.00 33.44 H new ATOM 0 HA PHE A 13 -6.076 0.974 -4.600 1.00 43.32 H new ATOM 0 HB2 PHE A 13 -7.859 1.938 -2.329 1.00 5.43 H new ATOM 0 HB3 PHE A 13 -7.905 2.527 -3.979 1.00 5.43 H new ATOM 0 HD1 PHE A 13 -8.672 1.004 -5.810 1.00 41.41 H new ATOM 0 HD2 PHE A 13 -8.972 -0.078 -1.704 1.00 2.22 H new ATOM 0 HE1 PHE A 13 -10.302 -0.734 -6.391 1.00 74.11 H new ATOM 0 HE2 PHE A 13 -10.609 -1.816 -2.278 1.00 34.24 H new ATOM 0 HZ PHE A 13 -11.275 -2.150 -4.626 1.00 64.12 H new ATOM 217 N PHE A 14 -4.830 3.068 -4.181 1.00 50.15 N ATOM 218 CA PHE A 14 -3.998 4.232 -3.967 1.00 1.22 C ATOM 219 C PHE A 14 -4.797 5.462 -4.332 1.00 45.11 C ATOM 220 O PHE A 14 -5.625 5.410 -5.250 1.00 22.42 O ATOM 221 CB PHE A 14 -2.737 4.210 -4.840 1.00 53.34 C ATOM 222 CG PHE A 14 -1.880 2.977 -4.736 1.00 14.23 C ATOM 223 CD1 PHE A 14 -1.563 2.406 -3.509 1.00 70.25 C ATOM 224 CD2 PHE A 14 -1.389 2.390 -5.885 1.00 10.31 C ATOM 225 CE1 PHE A 14 -0.774 1.279 -3.445 1.00 32.33 C ATOM 226 CE2 PHE A 14 -0.601 1.271 -5.827 1.00 75.50 C ATOM 227 CZ PHE A 14 -0.290 0.711 -4.606 1.00 71.44 C ATOM 0 H PHE A 14 -4.967 2.825 -5.162 1.00 50.15 H new ATOM 0 HA PHE A 14 -3.691 4.238 -2.921 1.00 1.22 H new ATOM 0 HB2 PHE A 14 -3.038 4.332 -5.881 1.00 53.34 H new ATOM 0 HB3 PHE A 14 -2.126 5.075 -4.582 1.00 53.34 H new ATOM 0 HD1 PHE A 14 -1.938 2.850 -2.599 1.00 70.25 H new ATOM 0 HD2 PHE A 14 -1.630 2.820 -6.846 1.00 10.31 H new ATOM 0 HE1 PHE A 14 -0.534 0.840 -2.488 1.00 32.33 H new ATOM 0 HE2 PHE A 14 -0.224 0.828 -6.737 1.00 75.50 H new ATOM 0 HZ PHE A 14 0.332 -0.171 -4.558 1.00 71.44 H new ATOM 237 N GLU A 15 -4.559 6.553 -3.638 1.00 23.51 N ATOM 238 CA GLU A 15 -5.243 7.785 -3.907 1.00 74.03 C ATOM 239 C GLU A 15 -4.636 8.355 -5.200 1.00 62.52 C ATOM 240 O GLU A 15 -5.341 8.820 -6.090 1.00 65.34 O ATOM 241 CB GLU A 15 -4.974 8.716 -2.743 1.00 74.42 C ATOM 242 CG GLU A 15 -5.974 9.836 -2.526 1.00 2.00 C ATOM 243 CD GLU A 15 -6.209 10.742 -3.708 1.00 5.14 C ATOM 244 OE1 GLU A 15 -5.393 11.627 -3.950 1.00 4.41 O ATOM 245 OE2 GLU A 15 -7.250 10.588 -4.388 1.00 43.52 O ATOM 0 H GLU A 15 -3.886 6.605 -2.874 1.00 23.51 H new ATOM 0 HA GLU A 15 -6.319 7.655 -4.025 1.00 74.03 H new ATOM 0 HB2 GLU A 15 -4.928 8.119 -1.832 1.00 74.42 H new ATOM 0 HB3 GLU A 15 -3.989 9.161 -2.883 1.00 74.42 H new ATOM 0 HG2 GLU A 15 -6.927 9.395 -2.234 1.00 2.00 H new ATOM 0 HG3 GLU A 15 -5.634 10.444 -1.688 1.00 2.00 H new ATOM 252 N SER A 16 -3.291 8.304 -5.259 1.00 2.31 N ATOM 253 CA SER A 16 -2.483 8.689 -6.431 1.00 13.04 C ATOM 254 C SER A 16 -2.457 10.219 -6.704 1.00 54.20 C ATOM 255 O SER A 16 -1.456 10.755 -7.161 1.00 44.40 O ATOM 256 CB SER A 16 -2.913 7.884 -7.676 1.00 1.00 C ATOM 257 OG SER A 16 -2.133 8.197 -8.805 1.00 73.15 O ATOM 0 H SER A 16 -2.723 7.986 -4.474 1.00 2.31 H new ATOM 0 HA SER A 16 -1.451 8.432 -6.192 1.00 13.04 H new ATOM 0 HB2 SER A 16 -2.831 6.818 -7.464 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.962 8.086 -7.893 1.00 1.00 H new ATOM 0 HG SER A 16 -2.437 7.665 -9.570 1.00 73.15 H new ATOM 263 N HIS A 17 -3.518 10.916 -6.379 1.00 20.11 N ATOM 264 CA HIS A 17 -3.607 12.359 -6.633 1.00 40.52 C ATOM 265 C HIS A 17 -3.093 13.142 -5.436 1.00 21.32 C ATOM 266 O HIS A 17 -3.501 14.285 -5.171 1.00 2.53 O ATOM 267 CB HIS A 17 -5.044 12.745 -6.958 1.00 4.12 C ATOM 268 CG HIS A 17 -5.532 12.125 -8.217 1.00 22.03 C ATOM 269 ND1 HIS A 17 -5.290 12.669 -9.448 1.00 52.30 N ATOM 270 CD2 HIS A 17 -6.214 10.978 -8.444 1.00 10.30 C ATOM 271 CE1 HIS A 17 -5.787 11.899 -10.374 1.00 63.33 C ATOM 272 NE2 HIS A 17 -6.358 10.863 -9.798 1.00 70.40 N ATOM 0 H HIS A 17 -4.345 10.517 -5.934 1.00 20.11 H new ATOM 0 HA HIS A 17 -2.981 12.605 -7.491 1.00 40.52 H new ATOM 0 HB2 HIS A 17 -5.692 12.445 -6.135 1.00 4.12 H new ATOM 0 HB3 HIS A 17 -5.115 13.830 -7.040 1.00 4.12 H new ATOM 0 HD2 HIS A 17 -6.575 10.286 -7.698 1.00 10.30 H new ATOM 0 HE1 HIS A 17 -5.738 12.081 -11.437 1.00 63.33 H new ATOM 0 HE2 HIS A 17 -6.830 10.100 -10.282 1.00 70.40 H new ATOM 281 N VAL A 18 -2.131 12.559 -4.784 1.00 4.24 N ATOM 282 CA VAL A 18 -1.561 13.086 -3.582 1.00 32.32 C ATOM 283 C VAL A 18 -0.338 13.921 -3.924 1.00 54.31 C ATOM 284 O VAL A 18 0.462 13.539 -4.790 1.00 4.04 O ATOM 285 CB VAL A 18 -1.144 11.924 -2.640 1.00 55.35 C ATOM 286 CG1 VAL A 18 -0.573 12.444 -1.342 1.00 63.32 C ATOM 287 CG2 VAL A 18 -2.317 10.996 -2.376 1.00 23.21 C ATOM 0 H VAL A 18 -1.710 11.679 -5.083 1.00 4.24 H new ATOM 0 HA VAL A 18 -2.301 13.708 -3.079 1.00 32.32 H new ATOM 0 HB VAL A 18 -0.362 11.356 -3.143 1.00 55.35 H new ATOM 0 HG11 VAL A 18 -0.291 11.605 -0.706 1.00 63.32 H new ATOM 0 HG12 VAL A 18 0.307 13.053 -1.550 1.00 63.32 H new ATOM 0 HG13 VAL A 18 -1.322 13.050 -0.832 1.00 63.32 H new ATOM 0 HG21 VAL A 18 -2.001 10.190 -1.714 1.00 23.21 H new ATOM 0 HG22 VAL A 18 -3.125 11.556 -1.906 1.00 23.21 H new ATOM 0 HG23 VAL A 18 -2.667 10.575 -3.319 1.00 23.21 H new ATOM 297 N ALA A 19 -0.230 15.064 -3.283 1.00 51.32 N ATOM 298 CA ALA A 19 0.886 15.960 -3.468 1.00 33.55 C ATOM 299 C ALA A 19 1.650 16.097 -2.151 1.00 61.20 C ATOM 300 O ALA A 19 1.069 15.908 -1.082 1.00 53.53 O ATOM 301 CB ALA A 19 0.398 17.303 -3.960 1.00 70.20 C ATOM 0 H ALA A 19 -0.922 15.399 -2.613 1.00 51.32 H new ATOM 0 HA ALA A 19 1.562 15.555 -4.221 1.00 33.55 H new ATOM 0 HB1 ALA A 19 1.248 17.971 -4.096 1.00 70.20 H new ATOM 0 HB2 ALA A 19 -0.120 17.176 -4.911 1.00 70.20 H new ATOM 0 HB3 ALA A 19 -0.287 17.732 -3.228 1.00 70.20 H new ATOM 307 N ARG A 20 2.927 16.449 -2.236 1.00 62.20 N ATOM 308 CA ARG A 20 3.825 16.516 -1.073 1.00 53.11 C ATOM 309 C ARG A 20 3.314 17.413 0.067 1.00 74.44 C ATOM 310 O ARG A 20 3.349 17.015 1.238 1.00 43.40 O ATOM 311 CB ARG A 20 5.249 16.945 -1.504 1.00 22.01 C ATOM 312 CG ARG A 20 6.248 17.067 -0.351 1.00 22.21 C ATOM 313 CD ARG A 20 6.347 15.770 0.426 1.00 72.52 C ATOM 314 NE ARG A 20 7.252 15.857 1.573 1.00 34.14 N ATOM 315 CZ ARG A 20 6.882 15.645 2.850 1.00 15.23 C ATOM 316 NH1 ARG A 20 5.589 15.460 3.156 1.00 54.10 N ATOM 317 NH2 ARG A 20 7.793 15.653 3.815 1.00 22.23 N ATOM 0 H ARG A 20 3.378 16.699 -3.116 1.00 62.20 H new ATOM 0 HA ARG A 20 3.854 15.505 -0.666 1.00 53.11 H new ATOM 0 HB2 ARG A 20 5.631 16.222 -2.225 1.00 22.01 H new ATOM 0 HB3 ARG A 20 5.187 17.904 -2.018 1.00 22.01 H new ATOM 0 HG2 ARG A 20 7.229 17.335 -0.743 1.00 22.21 H new ATOM 0 HG3 ARG A 20 5.941 17.872 0.317 1.00 22.21 H new ATOM 0 HD2 ARG A 20 5.354 15.485 0.775 1.00 72.52 H new ATOM 0 HD3 ARG A 20 6.690 14.979 -0.241 1.00 72.52 H new ATOM 0 HE ARG A 20 8.228 16.094 1.393 1.00 34.14 H new ATOM 0 HH11 ARG A 20 4.883 15.480 2.420 1.00 54.10 H new ATOM 0 HH12 ARG A 20 5.312 15.300 4.124 1.00 54.10 H new ATOM 0 HH21 ARG A 20 8.774 15.820 3.589 1.00 22.23 H new ATOM 0 HH22 ARG A 20 7.513 15.492 4.782 1.00 22.23 H new ATOM 331 N ALA A 21 2.833 18.587 -0.267 1.00 4.05 N ATOM 332 CA ALA A 21 2.413 19.550 0.743 1.00 1.32 C ATOM 333 C ALA A 21 1.079 19.206 1.379 1.00 44.02 C ATOM 334 O ALA A 21 0.688 19.811 2.371 1.00 50.13 O ATOM 335 CB ALA A 21 2.377 20.936 0.174 1.00 53.23 C ATOM 0 H ALA A 21 2.720 18.906 -1.229 1.00 4.05 H new ATOM 0 HA ALA A 21 3.159 19.505 1.536 1.00 1.32 H new ATOM 0 HB1 ALA A 21 2.061 21.638 0.946 1.00 53.23 H new ATOM 0 HB2 ALA A 21 3.371 21.210 -0.180 1.00 53.23 H new ATOM 0 HB3 ALA A 21 1.673 20.970 -0.658 1.00 53.23 H new ATOM 341 N ASN A 22 0.385 18.234 0.824 1.00 61.11 N ATOM 342 CA ASN A 22 -0.888 17.818 1.389 1.00 71.15 C ATOM 343 C ASN A 22 -0.663 16.570 2.237 1.00 52.32 C ATOM 344 O ASN A 22 -1.585 15.948 2.708 1.00 2.43 O ATOM 345 CB ASN A 22 -1.946 17.569 0.275 1.00 43.21 C ATOM 346 CG ASN A 22 -3.363 17.261 0.813 1.00 3.12 C ATOM 347 OD1 ASN A 22 -3.752 17.713 1.905 1.00 5.35 O ATOM 348 ND2 ASN A 22 -4.141 16.521 0.054 1.00 3.35 N ATOM 0 H ASN A 22 0.674 17.720 -0.008 1.00 61.11 H new ATOM 0 HA ASN A 22 -1.283 18.614 2.020 1.00 71.15 H new ATOM 0 HB2 ASN A 22 -1.995 18.448 -0.368 1.00 43.21 H new ATOM 0 HB3 ASN A 22 -1.615 16.737 -0.347 1.00 43.21 H new ATOM 0 HD21 ASN A 22 -5.091 16.304 0.356 1.00 3.35 H new ATOM 0 HD22 ASN A 22 -3.795 16.164 -0.837 1.00 3.35 H new ATOM 355 N VAL A 23 0.590 16.234 2.445 1.00 74.44 N ATOM 356 CA VAL A 23 0.933 15.074 3.249 1.00 35.14 C ATOM 357 C VAL A 23 1.490 15.496 4.604 1.00 13.54 C ATOM 358 O VAL A 23 2.383 16.339 4.677 1.00 73.22 O ATOM 359 CB VAL A 23 1.952 14.152 2.547 1.00 54.32 C ATOM 360 CG1 VAL A 23 2.316 13.003 3.445 1.00 43.20 C ATOM 361 CG2 VAL A 23 1.405 13.645 1.230 1.00 64.11 C ATOM 0 H VAL A 23 1.390 16.744 2.071 1.00 74.44 H new ATOM 0 HA VAL A 23 0.008 14.514 3.389 1.00 35.14 H new ATOM 0 HB VAL A 23 2.851 14.731 2.337 1.00 54.32 H new ATOM 0 HG11 VAL A 23 3.036 12.359 2.939 1.00 43.20 H new ATOM 0 HG12 VAL A 23 2.756 13.386 4.366 1.00 43.20 H new ATOM 0 HG13 VAL A 23 1.420 12.429 3.683 1.00 43.20 H new ATOM 0 HG21 VAL A 23 2.142 12.998 0.755 1.00 64.11 H new ATOM 0 HG22 VAL A 23 0.489 13.082 1.409 1.00 64.11 H new ATOM 0 HG23 VAL A 23 1.189 14.490 0.576 1.00 64.11 H new ATOM 371 N LYS A 24 0.938 14.926 5.666 1.00 11.05 N ATOM 372 CA LYS A 24 1.388 15.196 7.023 1.00 41.35 C ATOM 373 C LYS A 24 2.108 14.001 7.621 1.00 32.32 C ATOM 374 O LYS A 24 2.832 14.115 8.606 1.00 31.51 O ATOM 375 CB LYS A 24 0.205 15.539 7.885 1.00 44.32 C ATOM 376 CG LYS A 24 -0.807 14.431 8.109 1.00 12.15 C ATOM 377 CD LYS A 24 -1.987 14.939 8.913 1.00 23.34 C ATOM 378 CE LYS A 24 -1.522 15.619 10.193 1.00 52.24 C ATOM 379 NZ LYS A 24 -2.656 16.033 11.049 1.00 55.15 N ATOM 0 H LYS A 24 0.165 14.263 5.610 1.00 11.05 H new ATOM 0 HA LYS A 24 2.086 16.032 6.984 1.00 41.35 H new ATOM 0 HB2 LYS A 24 0.574 15.867 8.857 1.00 44.32 H new ATOM 0 HB3 LYS A 24 -0.311 16.388 7.436 1.00 44.32 H new ATOM 0 HG2 LYS A 24 -1.153 14.048 7.149 1.00 12.15 H new ATOM 0 HG3 LYS A 24 -0.334 13.600 8.633 1.00 12.15 H new ATOM 0 HD2 LYS A 24 -2.565 15.642 8.313 1.00 23.34 H new ATOM 0 HD3 LYS A 24 -2.649 14.109 9.158 1.00 23.34 H new ATOM 0 HE2 LYS A 24 -0.877 14.939 10.750 1.00 52.24 H new ATOM 0 HE3 LYS A 24 -0.921 16.493 9.941 1.00 52.24 H new ATOM 0 HZ1 LYS A 24 -2.293 16.491 11.909 1.00 55.15 H new ATOM 0 HZ2 LYS A 24 -3.258 16.702 10.528 1.00 55.15 H new ATOM 0 HZ3 LYS A 24 -3.215 15.197 11.312 1.00 55.15 H new ATOM 393 N HIS A 25 1.892 12.872 7.036 1.00 40.40 N ATOM 394 CA HIS A 25 2.457 11.624 7.520 1.00 32.20 C ATOM 395 C HIS A 25 2.908 10.768 6.364 1.00 1.43 C ATOM 396 O HIS A 25 2.140 10.529 5.465 1.00 31.41 O ATOM 397 CB HIS A 25 1.388 10.870 8.345 1.00 54.01 C ATOM 398 CG HIS A 25 1.776 9.488 8.804 1.00 24.04 C ATOM 399 ND1 HIS A 25 2.180 9.205 10.077 1.00 33.20 N ATOM 400 CD2 HIS A 25 1.768 8.300 8.140 1.00 3.34 C ATOM 401 CE1 HIS A 25 2.403 7.917 10.192 1.00 23.34 C ATOM 402 NE2 HIS A 25 2.160 7.337 9.033 1.00 30.34 N ATOM 0 H HIS A 25 1.316 12.771 6.200 1.00 40.40 H new ATOM 0 HA HIS A 25 3.322 11.841 8.147 1.00 32.20 H new ATOM 0 HB2 HIS A 25 1.142 11.469 9.222 1.00 54.01 H new ATOM 0 HB3 HIS A 25 0.480 10.793 7.747 1.00 54.01 H new ATOM 0 HD1 HIS A 25 2.291 9.890 10.824 1.00 33.20 H new ATOM 0 HD2 HIS A 25 1.503 8.145 7.105 1.00 3.34 H new ATOM 0 HE1 HIS A 25 2.732 7.414 11.089 1.00 23.34 H new ATOM 411 N LEU A 26 4.130 10.302 6.418 1.00 63.24 N ATOM 412 CA LEU A 26 4.680 9.411 5.411 1.00 70.14 C ATOM 413 C LEU A 26 5.260 8.159 6.043 1.00 65.44 C ATOM 414 O LEU A 26 6.198 8.225 6.832 1.00 61.25 O ATOM 415 CB LEU A 26 5.734 10.129 4.561 1.00 53.54 C ATOM 416 CG LEU A 26 5.198 11.140 3.555 1.00 34.21 C ATOM 417 CD1 LEU A 26 6.319 11.969 2.986 1.00 54.43 C ATOM 418 CD2 LEU A 26 4.501 10.409 2.420 1.00 43.44 C ATOM 0 H LEU A 26 4.783 10.529 7.168 1.00 63.24 H new ATOM 0 HA LEU A 26 3.864 9.108 4.756 1.00 70.14 H new ATOM 0 HB2 LEU A 26 6.425 10.642 5.230 1.00 53.54 H new ATOM 0 HB3 LEU A 26 6.311 9.378 4.021 1.00 53.54 H new ATOM 0 HG LEU A 26 4.494 11.796 4.068 1.00 34.21 H new ATOM 0 HD11 LEU A 26 5.915 12.685 2.270 1.00 54.43 H new ATOM 0 HD12 LEU A 26 6.820 12.505 3.792 1.00 54.43 H new ATOM 0 HD13 LEU A 26 7.034 11.318 2.484 1.00 54.43 H new ATOM 0 HD21 LEU A 26 4.118 11.134 1.701 1.00 43.44 H new ATOM 0 HD22 LEU A 26 5.210 9.746 1.924 1.00 43.44 H new ATOM 0 HD23 LEU A 26 3.674 9.822 2.819 1.00 43.44 H new ATOM 430 N LYS A 27 4.670 7.039 5.721 1.00 4.02 N ATOM 431 CA LYS A 27 5.111 5.737 6.161 1.00 23.11 C ATOM 432 C LYS A 27 5.502 4.951 4.933 1.00 40.42 C ATOM 433 O LYS A 27 4.692 4.785 4.033 1.00 24.25 O ATOM 434 CB LYS A 27 3.958 4.997 6.864 1.00 55.24 C ATOM 435 CG LYS A 27 4.305 3.568 7.306 1.00 24.15 C ATOM 436 CD LYS A 27 5.355 3.539 8.405 1.00 51.24 C ATOM 437 CE LYS A 27 4.801 4.053 9.731 1.00 64.43 C ATOM 438 NZ LYS A 27 3.681 3.211 10.223 1.00 51.51 N ATOM 0 H LYS A 27 3.842 7.004 5.126 1.00 4.02 H new ATOM 0 HA LYS A 27 5.945 5.841 6.855 1.00 23.11 H new ATOM 0 HB2 LYS A 27 3.652 5.572 7.738 1.00 55.24 H new ATOM 0 HB3 LYS A 27 3.101 4.959 6.191 1.00 55.24 H new ATOM 0 HG2 LYS A 27 3.401 3.070 7.658 1.00 24.15 H new ATOM 0 HG3 LYS A 27 4.667 3.003 6.447 1.00 24.15 H new ATOM 0 HD2 LYS A 27 5.719 2.520 8.534 1.00 51.24 H new ATOM 0 HD3 LYS A 27 6.209 4.147 8.108 1.00 51.24 H new ATOM 0 HE2 LYS A 27 5.597 4.071 10.475 1.00 64.43 H new ATOM 0 HE3 LYS A 27 4.457 5.080 9.608 1.00 64.43 H new ATOM 0 HZ1 LYS A 27 3.510 3.413 11.229 1.00 51.51 H new ATOM 0 HZ2 LYS A 27 2.822 3.422 9.677 1.00 51.51 H new ATOM 0 HZ3 LYS A 27 3.926 2.207 10.109 1.00 51.51 H new ATOM 452 N ILE A 28 6.707 4.492 4.862 1.00 13.32 N ATOM 453 CA ILE A 28 7.102 3.742 3.703 1.00 62.21 C ATOM 454 C ILE A 28 7.109 2.249 4.021 1.00 55.44 C ATOM 455 O ILE A 28 7.979 1.763 4.749 1.00 61.22 O ATOM 456 CB ILE A 28 8.474 4.188 3.165 1.00 33.34 C ATOM 457 CG1 ILE A 28 8.494 5.690 2.995 1.00 74.45 C ATOM 458 CG2 ILE A 28 8.728 3.571 1.827 1.00 53.25 C ATOM 459 CD1 ILE A 28 9.678 6.174 2.215 1.00 34.15 C ATOM 0 H ILE A 28 7.427 4.616 5.574 1.00 13.32 H new ATOM 0 HA ILE A 28 6.371 3.938 2.918 1.00 62.21 H new ATOM 0 HB ILE A 28 9.238 3.874 3.875 1.00 33.34 H new ATOM 0 HG12 ILE A 28 7.580 6.006 2.491 1.00 74.45 H new ATOM 0 HG13 ILE A 28 8.496 6.162 3.978 1.00 74.45 H new ATOM 0 HG21 ILE A 28 9.701 3.894 1.456 1.00 53.25 H new ATOM 0 HG22 ILE A 28 8.717 2.485 1.919 1.00 53.25 H new ATOM 0 HG23 ILE A 28 7.952 3.884 1.129 1.00 53.25 H new ATOM 0 HD11 ILE A 28 9.636 7.260 2.127 1.00 34.15 H new ATOM 0 HD12 ILE A 28 10.595 5.887 2.730 1.00 34.15 H new ATOM 0 HD13 ILE A 28 9.665 5.728 1.220 1.00 34.15 H new ATOM 471 N LEU A 29 6.141 1.537 3.494 1.00 44.30 N ATOM 472 CA LEU A 29 5.985 0.146 3.771 1.00 24.25 C ATOM 473 C LEU A 29 6.272 -0.658 2.483 1.00 45.20 C ATOM 474 O LEU A 29 5.579 -0.518 1.474 1.00 70.34 O ATOM 475 CB LEU A 29 4.536 -0.061 4.274 1.00 4.14 C ATOM 476 CG LEU A 29 4.198 -1.360 5.012 1.00 3.44 C ATOM 477 CD1 LEU A 29 2.785 -1.289 5.566 1.00 24.10 C ATOM 478 CD2 LEU A 29 4.347 -2.590 4.140 1.00 64.42 C ATOM 0 H LEU A 29 5.440 1.918 2.858 1.00 44.30 H new ATOM 0 HA LEU A 29 6.681 -0.202 4.534 1.00 24.25 H new ATOM 0 HB2 LEU A 29 4.293 0.770 4.937 1.00 4.14 H new ATOM 0 HB3 LEU A 29 3.872 0.014 3.413 1.00 4.14 H new ATOM 0 HG LEU A 29 4.916 -1.457 5.826 1.00 3.44 H new ATOM 0 HD11 LEU A 29 2.552 -2.216 6.089 1.00 24.10 H new ATOM 0 HD12 LEU A 29 2.708 -0.452 6.260 1.00 24.10 H new ATOM 0 HD13 LEU A 29 2.080 -1.148 4.747 1.00 24.10 H new ATOM 0 HD21 LEU A 29 4.094 -3.479 4.718 1.00 64.42 H new ATOM 0 HD22 LEU A 29 3.678 -2.512 3.283 1.00 64.42 H new ATOM 0 HD23 LEU A 29 5.377 -2.666 3.790 1.00 64.42 H new ATOM 490 N ASN A 30 7.285 -1.478 2.521 1.00 33.00 N ATOM 491 CA ASN A 30 7.669 -2.280 1.364 1.00 0.54 C ATOM 492 C ASN A 30 6.877 -3.576 1.319 1.00 2.24 C ATOM 493 O ASN A 30 6.521 -4.129 2.357 1.00 13.13 O ATOM 494 CB ASN A 30 9.185 -2.590 1.358 1.00 51.31 C ATOM 495 CG ASN A 30 9.670 -3.383 2.576 1.00 61.21 C ATOM 496 OD1 ASN A 30 9.148 -3.247 3.690 1.00 65.13 O ATOM 497 ND2 ASN A 30 10.654 -4.219 2.372 1.00 1.45 N ATOM 0 H ASN A 30 7.872 -1.618 3.343 1.00 33.00 H new ATOM 0 HA ASN A 30 7.441 -1.691 0.476 1.00 0.54 H new ATOM 0 HB2 ASN A 30 9.426 -3.150 0.455 1.00 51.31 H new ATOM 0 HB3 ASN A 30 9.736 -1.651 1.307 1.00 51.31 H new ATOM 0 HD21 ASN A 30 11.013 -4.782 3.143 1.00 1.45 H new ATOM 0 HD22 ASN A 30 11.063 -4.308 1.442 1.00 1.45 H new ATOM 504 N THR A 31 6.571 -4.050 0.132 1.00 61.44 N ATOM 505 CA THR A 31 5.836 -5.285 0.002 1.00 13.34 C ATOM 506 C THR A 31 6.445 -6.148 -1.113 1.00 61.01 C ATOM 507 O THR A 31 6.586 -5.686 -2.247 1.00 54.34 O ATOM 508 CB THR A 31 4.349 -5.018 -0.282 1.00 64.23 C ATOM 509 OG1 THR A 31 3.854 -4.088 0.690 1.00 71.33 O ATOM 510 CG2 THR A 31 3.550 -6.312 -0.167 1.00 64.23 C ATOM 0 H THR A 31 6.818 -3.602 -0.750 1.00 61.44 H new ATOM 0 HA THR A 31 5.907 -5.824 0.947 1.00 13.34 H new ATOM 0 HB THR A 31 4.244 -4.617 -1.290 1.00 64.23 H new ATOM 0 HG1 THR A 31 3.957 -4.467 1.588 1.00 71.33 H new ATOM 0 HG21 THR A 31 2.498 -6.110 -0.370 1.00 64.23 H new ATOM 0 HG22 THR A 31 3.926 -7.037 -0.889 1.00 64.23 H new ATOM 0 HG23 THR A 31 3.654 -6.715 0.840 1.00 64.23 H new ATOM 518 N PRO A 32 6.819 -7.405 -0.781 1.00 33.24 N ATOM 519 CA PRO A 32 7.464 -8.365 -1.708 1.00 23.41 C ATOM 520 C PRO A 32 6.846 -8.428 -3.118 1.00 10.11 C ATOM 521 O PRO A 32 7.547 -8.260 -4.120 1.00 72.30 O ATOM 522 CB PRO A 32 7.251 -9.700 -0.995 1.00 44.20 C ATOM 523 CG PRO A 32 7.327 -9.348 0.444 1.00 21.32 C ATOM 524 CD PRO A 32 6.665 -8.003 0.573 1.00 61.12 C ATOM 0 HA PRO A 32 8.500 -8.082 -1.896 1.00 23.41 H new ATOM 0 HB2 PRO A 32 6.287 -10.140 -1.249 1.00 44.20 H new ATOM 0 HB3 PRO A 32 8.015 -10.427 -1.270 1.00 44.20 H new ATOM 0 HG2 PRO A 32 6.820 -10.094 1.056 1.00 21.32 H new ATOM 0 HG3 PRO A 32 8.362 -9.308 0.783 1.00 21.32 H new ATOM 0 HD2 PRO A 32 5.616 -8.098 0.852 1.00 61.12 H new ATOM 0 HD3 PRO A 32 7.144 -7.392 1.338 1.00 61.12 H new ATOM 532 N ASN A 33 5.550 -8.653 -3.195 1.00 60.04 N ATOM 533 CA ASN A 33 4.893 -8.859 -4.491 1.00 2.40 C ATOM 534 C ASN A 33 3.798 -7.839 -4.801 1.00 14.42 C ATOM 535 O ASN A 33 2.963 -8.069 -5.668 1.00 11.33 O ATOM 536 CB ASN A 33 4.348 -10.291 -4.589 1.00 52.42 C ATOM 537 CG ASN A 33 3.437 -10.685 -3.440 1.00 5.42 C ATOM 538 OD1 ASN A 33 2.734 -9.860 -2.848 1.00 44.23 O ATOM 539 ND2 ASN A 33 3.455 -11.934 -3.110 1.00 55.11 N ATOM 0 H ASN A 33 4.927 -8.700 -2.389 1.00 60.04 H new ATOM 0 HA ASN A 33 5.661 -8.705 -5.250 1.00 2.40 H new ATOM 0 HB2 ASN A 33 3.801 -10.397 -5.526 1.00 52.42 H new ATOM 0 HB3 ASN A 33 5.187 -10.986 -4.629 1.00 52.42 H new ATOM 0 HD21 ASN A 33 2.876 -12.266 -2.338 1.00 55.11 H new ATOM 0 HD22 ASN A 33 4.048 -12.588 -3.621 1.00 55.11 H new ATOM 546 N CYS A 34 3.825 -6.702 -4.142 1.00 61.21 N ATOM 547 CA CYS A 34 2.793 -5.686 -4.380 1.00 50.41 C ATOM 548 C CYS A 34 3.390 -4.329 -4.612 1.00 12.01 C ATOM 549 O CYS A 34 2.703 -3.322 -4.444 1.00 31.23 O ATOM 550 CB CYS A 34 1.822 -5.605 -3.217 1.00 54.23 C ATOM 551 SG CYS A 34 0.840 -7.102 -2.939 1.00 11.34 S ATOM 0 H CYS A 34 4.529 -6.449 -3.449 1.00 61.21 H new ATOM 0 HA CYS A 34 2.258 -5.994 -5.278 1.00 50.41 H new ATOM 0 HB2 CYS A 34 2.383 -5.382 -2.309 1.00 54.23 H new ATOM 0 HB3 CYS A 34 1.143 -4.769 -3.386 1.00 54.23 H new ATOM 556 N ALA A 35 4.650 -4.299 -5.035 1.00 55.42 N ATOM 557 CA ALA A 35 5.387 -3.052 -5.235 1.00 50.51 C ATOM 558 C ALA A 35 5.564 -2.341 -3.895 1.00 24.11 C ATOM 559 O ALA A 35 5.393 -2.959 -2.825 1.00 70.22 O ATOM 560 CB ALA A 35 4.701 -2.148 -6.276 1.00 61.11 C ATOM 0 H ALA A 35 5.190 -5.137 -5.249 1.00 55.42 H new ATOM 0 HA ALA A 35 6.373 -3.288 -5.635 1.00 50.51 H new ATOM 0 HB1 ALA A 35 5.277 -1.231 -6.398 1.00 61.11 H new ATOM 0 HB2 ALA A 35 4.645 -2.671 -7.231 1.00 61.11 H new ATOM 0 HB3 ALA A 35 3.695 -1.902 -5.937 1.00 61.11 H new ATOM 566 N LEU A 36 5.923 -1.095 -3.930 1.00 50.25 N ATOM 567 CA LEU A 36 6.176 -0.375 -2.721 1.00 33.33 C ATOM 568 C LEU A 36 4.898 0.402 -2.324 1.00 32.52 C ATOM 569 O LEU A 36 4.290 1.067 -3.152 1.00 11.43 O ATOM 570 CB LEU A 36 7.343 0.596 -2.967 1.00 32.55 C ATOM 571 CG LEU A 36 8.221 0.986 -1.765 1.00 45.51 C ATOM 572 CD1 LEU A 36 7.429 1.526 -0.612 1.00 20.24 C ATOM 573 CD2 LEU A 36 9.124 -0.162 -1.344 1.00 43.02 C ATOM 0 H LEU A 36 6.048 -0.554 -4.786 1.00 50.25 H new ATOM 0 HA LEU A 36 6.440 -1.056 -1.912 1.00 33.33 H new ATOM 0 HB2 LEU A 36 7.991 0.155 -3.725 1.00 32.55 H new ATOM 0 HB3 LEU A 36 6.932 1.512 -3.392 1.00 32.55 H new ATOM 0 HG LEU A 36 8.858 1.805 -2.099 1.00 45.51 H new ATOM 0 HD11 LEU A 36 8.104 1.783 0.204 1.00 20.24 H new ATOM 0 HD12 LEU A 36 6.887 2.417 -0.929 1.00 20.24 H new ATOM 0 HD13 LEU A 36 6.720 0.771 -0.273 1.00 20.24 H new ATOM 0 HD21 LEU A 36 9.731 0.146 -0.493 1.00 43.02 H new ATOM 0 HD22 LEU A 36 8.514 -1.021 -1.063 1.00 43.02 H new ATOM 0 HD23 LEU A 36 9.775 -0.436 -2.174 1.00 43.02 H new ATOM 585 N GLN A 37 4.520 0.309 -1.066 1.00 62.31 N ATOM 586 CA GLN A 37 3.356 1.015 -0.539 1.00 64.01 C ATOM 587 C GLN A 37 3.768 2.157 0.364 1.00 63.21 C ATOM 588 O GLN A 37 4.164 1.949 1.509 1.00 61.41 O ATOM 589 CB GLN A 37 2.367 0.089 0.217 1.00 63.21 C ATOM 590 CG GLN A 37 1.262 -0.546 -0.630 1.00 45.03 C ATOM 591 CD GLN A 37 1.721 -1.493 -1.713 1.00 50.31 C ATOM 592 OE1 GLN A 37 1.087 -1.590 -2.742 1.00 72.41 O ATOM 593 NE2 GLN A 37 2.740 -2.252 -1.464 1.00 54.14 N ATOM 0 H GLN A 37 5.008 -0.258 -0.373 1.00 62.31 H new ATOM 0 HA GLN A 37 2.834 1.408 -1.412 1.00 64.01 H new ATOM 0 HB2 GLN A 37 2.938 -0.709 0.691 1.00 63.21 H new ATOM 0 HB3 GLN A 37 1.900 0.665 1.016 1.00 63.21 H new ATOM 0 HG2 GLN A 37 0.586 -1.085 0.034 1.00 45.03 H new ATOM 0 HG3 GLN A 37 0.683 0.252 -1.094 1.00 45.03 H new ATOM 0 HE21 GLN A 37 3.253 -2.146 -0.589 1.00 54.14 H new ATOM 0 HE22 GLN A 37 3.030 -2.956 -2.143 1.00 54.14 H new ATOM 602 N ILE A 38 3.703 3.351 -0.138 1.00 41.14 N ATOM 603 CA ILE A 38 3.997 4.490 0.679 1.00 34.24 C ATOM 604 C ILE A 38 2.688 5.045 1.182 1.00 54.24 C ATOM 605 O ILE A 38 1.789 5.326 0.405 1.00 45.52 O ATOM 606 CB ILE A 38 4.810 5.568 -0.077 1.00 2.02 C ATOM 607 CG1 ILE A 38 6.063 4.907 -0.646 1.00 14.34 C ATOM 608 CG2 ILE A 38 5.196 6.699 0.876 1.00 33.30 C ATOM 609 CD1 ILE A 38 7.043 5.837 -1.309 1.00 71.41 C ATOM 0 H ILE A 38 3.451 3.563 -1.103 1.00 41.14 H new ATOM 0 HA ILE A 38 4.627 4.180 1.513 1.00 34.24 H new ATOM 0 HB ILE A 38 4.212 5.993 -0.883 1.00 2.02 H new ATOM 0 HG12 ILE A 38 6.575 4.384 0.162 1.00 14.34 H new ATOM 0 HG13 ILE A 38 5.757 4.153 -1.371 1.00 14.34 H new ATOM 0 HG21 ILE A 38 5.768 7.452 0.334 1.00 33.30 H new ATOM 0 HG22 ILE A 38 4.294 7.153 1.286 1.00 33.30 H new ATOM 0 HG23 ILE A 38 5.802 6.299 1.689 1.00 33.30 H new ATOM 0 HD11 ILE A 38 7.895 5.265 -1.677 1.00 71.41 H new ATOM 0 HD12 ILE A 38 6.557 6.343 -2.143 1.00 71.41 H new ATOM 0 HD13 ILE A 38 7.388 6.577 -0.587 1.00 71.41 H new ATOM 621 N VAL A 39 2.569 5.165 2.456 1.00 34.44 N ATOM 622 CA VAL A 39 1.327 5.584 3.062 1.00 10.42 C ATOM 623 C VAL A 39 1.432 7.009 3.562 1.00 44.24 C ATOM 624 O VAL A 39 2.365 7.355 4.295 1.00 45.42 O ATOM 625 CB VAL A 39 0.914 4.623 4.213 1.00 20.12 C ATOM 626 CG1 VAL A 39 -0.367 5.078 4.897 1.00 62.24 C ATOM 627 CG2 VAL A 39 0.754 3.203 3.681 1.00 51.55 C ATOM 0 H VAL A 39 3.321 4.979 3.119 1.00 34.44 H new ATOM 0 HA VAL A 39 0.549 5.545 2.300 1.00 10.42 H new ATOM 0 HB VAL A 39 1.709 4.640 4.959 1.00 20.12 H new ATOM 0 HG11 VAL A 39 -0.621 4.380 5.695 1.00 62.24 H new ATOM 0 HG12 VAL A 39 -0.221 6.073 5.318 1.00 62.24 H new ATOM 0 HG13 VAL A 39 -1.178 5.107 4.169 1.00 62.24 H new ATOM 0 HG21 VAL A 39 0.465 2.540 4.496 1.00 51.55 H new ATOM 0 HG22 VAL A 39 -0.016 3.188 2.910 1.00 51.55 H new ATOM 0 HG23 VAL A 39 1.699 2.865 3.256 1.00 51.55 H new ATOM 637 N ALA A 40 0.487 7.823 3.173 1.00 3.22 N ATOM 638 CA ALA A 40 0.489 9.210 3.528 1.00 14.44 C ATOM 639 C ALA A 40 -0.812 9.623 4.121 1.00 35.44 C ATOM 640 O ALA A 40 -1.843 9.080 3.803 1.00 21.01 O ATOM 641 CB ALA A 40 0.739 10.046 2.320 1.00 53.35 C ATOM 0 H ALA A 40 -0.307 7.538 2.599 1.00 3.22 H new ATOM 0 HA ALA A 40 1.279 9.355 4.265 1.00 14.44 H new ATOM 0 HB1 ALA A 40 0.739 11.099 2.600 1.00 53.35 H new ATOM 0 HB2 ALA A 40 1.706 9.785 1.891 1.00 53.35 H new ATOM 0 HB3 ALA A 40 -0.045 9.866 1.584 1.00 53.35 H new ATOM 647 N ARG A 41 -0.770 10.557 4.997 1.00 21.24 N ATOM 648 CA ARG A 41 -1.967 11.090 5.516 1.00 14.54 C ATOM 649 C ARG A 41 -2.093 12.520 5.079 1.00 63.32 C ATOM 650 O ARG A 41 -1.131 13.279 5.155 1.00 4.22 O ATOM 651 CB ARG A 41 -2.045 10.937 6.990 1.00 64.32 C ATOM 652 CG ARG A 41 -3.394 11.260 7.535 1.00 33.10 C ATOM 653 CD ARG A 41 -3.431 10.931 8.961 1.00 12.50 C ATOM 654 NE ARG A 41 -4.748 11.142 9.536 1.00 22.13 N ATOM 655 CZ ARG A 41 -4.981 11.530 10.779 1.00 15.54 C ATOM 656 NH1 ARG A 41 -3.975 11.860 11.594 1.00 31.10 N ATOM 657 NH2 ARG A 41 -6.222 11.607 11.204 1.00 31.31 N ATOM 0 H ARG A 41 0.086 10.968 5.369 1.00 21.24 H new ATOM 0 HA ARG A 41 -2.814 10.530 5.119 1.00 14.54 H new ATOM 0 HB2 ARG A 41 -1.786 9.913 7.258 1.00 64.32 H new ATOM 0 HB3 ARG A 41 -1.305 11.586 7.457 1.00 64.32 H new ATOM 0 HG2 ARG A 41 -3.615 12.317 7.388 1.00 33.10 H new ATOM 0 HG3 ARG A 41 -4.159 10.697 7.000 1.00 33.10 H new ATOM 0 HD2 ARG A 41 -3.137 9.891 9.100 1.00 12.50 H new ATOM 0 HD3 ARG A 41 -2.702 11.542 9.493 1.00 12.50 H new ATOM 0 HE ARG A 41 -5.556 10.978 8.935 1.00 22.13 H new ATOM 0 HH11 ARG A 41 -3.012 11.815 11.260 1.00 31.10 H new ATOM 0 HH12 ARG A 41 -4.170 12.157 12.550 1.00 31.10 H new ATOM 0 HH21 ARG A 41 -6.991 11.369 10.578 1.00 31.31 H new ATOM 0 HH22 ARG A 41 -6.416 11.905 12.160 1.00 31.31 H new ATOM 671 N LEU A 42 -3.249 12.867 4.611 1.00 52.20 N ATOM 672 CA LEU A 42 -3.490 14.159 4.007 1.00 34.53 C ATOM 673 C LEU A 42 -3.776 15.245 5.038 1.00 55.01 C ATOM 674 O LEU A 42 -4.389 14.992 6.060 1.00 72.50 O ATOM 675 CB LEU A 42 -4.618 14.034 2.978 1.00 14.02 C ATOM 676 CG LEU A 42 -4.352 13.018 1.864 1.00 51.43 C ATOM 677 CD1 LEU A 42 -5.480 12.973 0.876 1.00 31.34 C ATOM 678 CD2 LEU A 42 -3.056 13.314 1.165 1.00 5.43 C ATOM 0 H LEU A 42 -4.069 12.261 4.633 1.00 52.20 H new ATOM 0 HA LEU A 42 -2.579 14.475 3.499 1.00 34.53 H new ATOM 0 HB2 LEU A 42 -5.536 13.754 3.496 1.00 14.02 H new ATOM 0 HB3 LEU A 42 -4.791 15.011 2.527 1.00 14.02 H new ATOM 0 HG LEU A 42 -4.278 12.037 2.332 1.00 51.43 H new ATOM 0 HD11 LEU A 42 -5.255 12.241 0.100 1.00 31.34 H new ATOM 0 HD12 LEU A 42 -6.400 12.690 1.387 1.00 31.34 H new ATOM 0 HD13 LEU A 42 -5.605 13.956 0.422 1.00 31.34 H new ATOM 0 HD21 LEU A 42 -2.891 12.578 0.378 1.00 5.43 H new ATOM 0 HD22 LEU A 42 -3.099 14.311 0.726 1.00 5.43 H new ATOM 0 HD23 LEU A 42 -2.237 13.268 1.883 1.00 5.43 H new ATOM 690 N LYS A 43 -3.316 16.447 4.748 1.00 53.45 N ATOM 691 CA LYS A 43 -3.465 17.601 5.641 1.00 11.04 C ATOM 692 C LYS A 43 -4.793 18.314 5.452 1.00 33.52 C ATOM 693 O LYS A 43 -5.445 18.699 6.422 1.00 44.24 O ATOM 694 CB LYS A 43 -2.328 18.586 5.380 1.00 33.35 C ATOM 695 CG LYS A 43 -0.965 18.054 5.766 1.00 23.11 C ATOM 696 CD LYS A 43 0.166 18.964 5.326 1.00 10.35 C ATOM 697 CE LYS A 43 0.055 20.344 5.927 1.00 73.14 C ATOM 698 NZ LYS A 43 1.152 21.216 5.479 1.00 13.15 N ATOM 0 H LYS A 43 -2.823 16.661 3.881 1.00 53.45 H new ATOM 0 HA LYS A 43 -3.433 17.230 6.665 1.00 11.04 H new ATOM 0 HB2 LYS A 43 -2.320 18.847 4.322 1.00 33.35 H new ATOM 0 HB3 LYS A 43 -2.520 19.505 5.934 1.00 33.35 H new ATOM 0 HG2 LYS A 43 -0.923 17.926 6.848 1.00 23.11 H new ATOM 0 HG3 LYS A 43 -0.826 17.068 5.323 1.00 23.11 H new ATOM 0 HD2 LYS A 43 1.119 18.520 5.613 1.00 10.35 H new ATOM 0 HD3 LYS A 43 0.165 19.042 4.239 1.00 10.35 H new ATOM 0 HE2 LYS A 43 -0.901 20.788 5.649 1.00 73.14 H new ATOM 0 HE3 LYS A 43 0.068 20.271 7.014 1.00 73.14 H new ATOM 0 HZ1 LYS A 43 1.046 22.156 5.910 1.00 13.15 H new ATOM 0 HZ2 LYS A 43 2.063 20.804 5.767 1.00 13.15 H new ATOM 0 HZ3 LYS A 43 1.124 21.305 4.443 1.00 13.15 H new ATOM 712 N ASN A 44 -5.209 18.464 4.219 1.00 74.03 N ATOM 713 CA ASN A 44 -6.456 19.171 3.927 1.00 53.34 C ATOM 714 C ASN A 44 -7.635 18.251 4.128 1.00 0.41 C ATOM 715 O ASN A 44 -8.703 18.654 4.579 1.00 33.41 O ATOM 716 CB ASN A 44 -6.438 19.717 2.483 1.00 74.11 C ATOM 717 CG ASN A 44 -7.710 20.461 2.088 1.00 12.33 C ATOM 718 OD1 ASN A 44 -7.828 21.660 2.302 1.00 42.13 O ATOM 719 ND2 ASN A 44 -8.648 19.764 1.483 1.00 2.02 N ATOM 0 H ASN A 44 -4.715 18.113 3.399 1.00 74.03 H new ATOM 0 HA ASN A 44 -6.550 20.013 4.613 1.00 53.34 H new ATOM 0 HB2 ASN A 44 -5.586 20.388 2.369 1.00 74.11 H new ATOM 0 HB3 ASN A 44 -6.285 18.887 1.793 1.00 74.11 H new ATOM 0 HD21 ASN A 44 -9.506 20.222 1.177 1.00 2.02 H new ATOM 0 HD22 ASN A 44 -8.517 18.766 1.321 1.00 2.02 H new ATOM 726 N ASN A 45 -7.412 17.011 3.818 1.00 44.24 N ATOM 727 CA ASN A 45 -8.441 15.996 3.871 1.00 33.31 C ATOM 728 C ASN A 45 -8.460 15.328 5.221 1.00 11.51 C ATOM 729 O ASN A 45 -9.503 14.865 5.682 1.00 34.10 O ATOM 730 CB ASN A 45 -8.109 14.931 2.855 1.00 70.03 C ATOM 731 CG ASN A 45 -7.953 15.454 1.464 1.00 74.13 C ATOM 732 OD1 ASN A 45 -6.879 15.914 1.076 1.00 45.41 O ATOM 733 ND2 ASN A 45 -8.961 15.329 0.706 1.00 42.15 N ATOM 0 H ASN A 45 -6.502 16.662 3.516 1.00 44.24 H new ATOM 0 HA ASN A 45 -9.405 16.466 3.676 1.00 33.31 H new ATOM 0 HB2 ASN A 45 -7.186 14.433 3.152 1.00 70.03 H new ATOM 0 HB3 ASN A 45 -8.895 14.176 2.864 1.00 70.03 H new ATOM 0 HD21 ASN A 45 -8.903 15.615 -0.271 1.00 42.15 H new ATOM 0 HD22 ASN A 45 -9.830 14.942 1.073 1.00 42.15 H new ATOM 740 N ASN A 46 -7.283 15.275 5.847 1.00 41.54 N ATOM 741 CA ASN A 46 -7.069 14.591 7.135 1.00 71.34 C ATOM 742 C ASN A 46 -7.244 13.083 7.026 1.00 42.23 C ATOM 743 O ASN A 46 -7.272 12.381 8.035 1.00 33.40 O ATOM 744 CB ASN A 46 -7.930 15.174 8.272 1.00 34.11 C ATOM 745 CG ASN A 46 -7.530 16.582 8.652 1.00 73.32 C ATOM 746 OD1 ASN A 46 -6.674 16.782 9.514 1.00 34.21 O ATOM 747 ND2 ASN A 46 -8.135 17.564 8.026 1.00 61.41 N ATOM 0 H ASN A 46 -6.439 15.709 5.474 1.00 41.54 H new ATOM 0 HA ASN A 46 -6.028 14.780 7.399 1.00 71.34 H new ATOM 0 HB2 ASN A 46 -8.977 15.169 7.967 1.00 34.11 H new ATOM 0 HB3 ASN A 46 -7.850 14.530 9.148 1.00 34.11 H new ATOM 0 HD21 ASN A 46 -7.901 18.532 8.248 1.00 61.41 H new ATOM 0 HD22 ASN A 46 -8.839 17.360 7.317 1.00 61.41 H new ATOM 754 N ARG A 47 -7.317 12.573 5.795 1.00 2.21 N ATOM 755 CA ARG A 47 -7.506 11.147 5.586 1.00 32.23 C ATOM 756 C ARG A 47 -6.190 10.464 5.319 1.00 53.40 C ATOM 757 O ARG A 47 -5.285 11.061 4.733 1.00 20.22 O ATOM 758 CB ARG A 47 -8.469 10.886 4.438 1.00 51.11 C ATOM 759 CG ARG A 47 -8.018 11.470 3.134 1.00 4.25 C ATOM 760 CD ARG A 47 -8.991 11.176 2.010 1.00 13.32 C ATOM 761 NE ARG A 47 -8.577 11.819 0.749 1.00 63.31 N ATOM 762 CZ ARG A 47 -8.927 11.407 -0.470 1.00 14.45 C ATOM 763 NH1 ARG A 47 -9.690 10.335 -0.618 1.00 4.30 N ATOM 764 NH2 ARG A 47 -8.503 12.073 -1.547 1.00 61.20 N ATOM 0 H ARG A 47 -7.248 13.124 4.940 1.00 2.21 H new ATOM 0 HA ARG A 47 -7.935 10.735 6.499 1.00 32.23 H new ATOM 0 HB2 ARG A 47 -8.598 9.810 4.320 1.00 51.11 H new ATOM 0 HB3 ARG A 47 -9.446 11.298 4.693 1.00 51.11 H new ATOM 0 HG2 ARG A 47 -7.904 12.549 3.241 1.00 4.25 H new ATOM 0 HG3 ARG A 47 -7.037 11.069 2.878 1.00 4.25 H new ATOM 0 HD2 ARG A 47 -9.062 10.098 1.863 1.00 13.32 H new ATOM 0 HD3 ARG A 47 -9.985 11.526 2.288 1.00 13.32 H new ATOM 0 HE ARG A 47 -7.977 12.641 0.814 1.00 63.31 H new ATOM 0 HH11 ARG A 47 -10.012 9.821 0.202 1.00 4.30 H new ATOM 0 HH12 ARG A 47 -9.956 10.023 -1.552 1.00 4.30 H new ATOM 0 HH21 ARG A 47 -7.912 12.897 -1.437 1.00 61.20 H new ATOM 0 HH22 ARG A 47 -8.771 11.758 -2.479 1.00 61.20 H new ATOM 778 N GLN A 48 -6.070 9.241 5.754 1.00 75.32 N ATOM 779 CA GLN A 48 -4.898 8.481 5.530 1.00 74.30 C ATOM 780 C GLN A 48 -5.075 7.686 4.244 1.00 10.33 C ATOM 781 O GLN A 48 -6.034 6.917 4.098 1.00 3.31 O ATOM 782 CB GLN A 48 -4.643 7.568 6.716 1.00 74.04 C ATOM 783 CG GLN A 48 -3.332 6.858 6.637 1.00 15.22 C ATOM 784 CD GLN A 48 -3.087 5.915 7.799 1.00 20.43 C ATOM 785 OE1 GLN A 48 -4.016 5.366 8.373 1.00 43.34 O ATOM 786 NE2 GLN A 48 -1.839 5.720 8.149 1.00 12.15 N ATOM 0 H GLN A 48 -6.795 8.750 6.277 1.00 75.32 H new ATOM 0 HA GLN A 48 -4.032 9.135 5.424 1.00 74.30 H new ATOM 0 HB2 GLN A 48 -4.676 8.156 7.633 1.00 74.04 H new ATOM 0 HB3 GLN A 48 -5.445 6.832 6.780 1.00 74.04 H new ATOM 0 HG2 GLN A 48 -3.288 6.294 5.705 1.00 15.22 H new ATOM 0 HG3 GLN A 48 -2.530 7.595 6.601 1.00 15.22 H new ATOM 0 HE21 GLN A 48 -1.088 6.195 7.647 1.00 12.15 H new ATOM 0 HE22 GLN A 48 -1.618 5.093 8.923 1.00 12.15 H new ATOM 795 N VAL A 49 -4.174 7.883 3.329 1.00 32.14 N ATOM 796 CA VAL A 49 -4.237 7.282 2.017 1.00 32.32 C ATOM 797 C VAL A 49 -2.959 6.568 1.655 1.00 24.22 C ATOM 798 O VAL A 49 -1.945 6.677 2.339 1.00 24.01 O ATOM 799 CB VAL A 49 -4.539 8.326 0.919 1.00 2.03 C ATOM 800 CG1 VAL A 49 -5.960 8.847 1.033 1.00 22.41 C ATOM 801 CG2 VAL A 49 -3.547 9.486 0.988 1.00 73.02 C ATOM 0 H VAL A 49 -3.356 8.476 3.469 1.00 32.14 H new ATOM 0 HA VAL A 49 -5.051 6.559 2.067 1.00 32.32 H new ATOM 0 HB VAL A 49 -4.433 7.830 -0.046 1.00 2.03 H new ATOM 0 HG11 VAL A 49 -6.143 9.580 0.247 1.00 22.41 H new ATOM 0 HG12 VAL A 49 -6.661 8.019 0.927 1.00 22.41 H new ATOM 0 HG13 VAL A 49 -6.098 9.317 2.007 1.00 22.41 H new ATOM 0 HG21 VAL A 49 -3.778 10.209 0.206 1.00 73.02 H new ATOM 0 HG22 VAL A 49 -3.620 9.969 1.962 1.00 73.02 H new ATOM 0 HG23 VAL A 49 -2.535 9.108 0.845 1.00 73.02 H new ATOM 811 N CYS A 50 -3.012 5.850 0.584 1.00 1.54 N ATOM 812 CA CYS A 50 -1.875 5.165 0.082 1.00 51.13 C ATOM 813 C CYS A 50 -1.418 5.839 -1.184 1.00 74.45 C ATOM 814 O CYS A 50 -2.239 6.275 -2.019 1.00 71.24 O ATOM 815 CB CYS A 50 -2.211 3.722 -0.178 1.00 12.32 C ATOM 816 SG CYS A 50 -2.854 2.850 1.278 1.00 60.14 S ATOM 0 H CYS A 50 -3.857 5.722 0.028 1.00 1.54 H new ATOM 0 HA CYS A 50 -1.071 5.197 0.818 1.00 51.13 H new ATOM 0 HB2 CYS A 50 -2.949 3.668 -0.978 1.00 12.32 H new ATOM 0 HB3 CYS A 50 -1.318 3.208 -0.533 1.00 12.32 H new ATOM 821 N ILE A 51 -0.150 5.946 -1.322 1.00 52.00 N ATOM 822 CA ILE A 51 0.457 6.594 -2.425 1.00 4.14 C ATOM 823 C ILE A 51 1.011 5.593 -3.424 1.00 34.40 C ATOM 824 O ILE A 51 1.572 4.563 -3.040 1.00 22.43 O ATOM 825 CB ILE A 51 1.591 7.518 -1.930 1.00 42.23 C ATOM 826 CG1 ILE A 51 1.037 8.669 -1.102 1.00 34.24 C ATOM 827 CG2 ILE A 51 2.429 8.023 -3.059 1.00 52.21 C ATOM 828 CD1 ILE A 51 2.099 9.629 -0.626 1.00 13.15 C ATOM 0 H ILE A 51 0.518 5.573 -0.648 1.00 52.00 H new ATOM 0 HA ILE A 51 -0.308 7.185 -2.929 1.00 4.14 H new ATOM 0 HB ILE A 51 2.239 6.920 -1.288 1.00 42.23 H new ATOM 0 HG12 ILE A 51 0.304 9.215 -1.696 1.00 34.24 H new ATOM 0 HG13 ILE A 51 0.509 8.265 -0.238 1.00 34.24 H new ATOM 0 HG21 ILE A 51 3.215 8.669 -2.668 1.00 52.21 H new ATOM 0 HG22 ILE A 51 2.879 7.180 -3.583 1.00 52.21 H new ATOM 0 HG23 ILE A 51 1.805 8.589 -3.751 1.00 52.21 H new ATOM 0 HD11 ILE A 51 1.635 10.424 -0.042 1.00 13.15 H new ATOM 0 HD12 ILE A 51 2.819 9.096 -0.005 1.00 13.15 H new ATOM 0 HD13 ILE A 51 2.611 10.061 -1.486 1.00 13.15 H new ATOM 840 N ASP A 52 0.821 5.895 -4.697 1.00 2.01 N ATOM 841 CA ASP A 52 1.400 5.110 -5.769 1.00 54.34 C ATOM 842 C ASP A 52 2.875 5.504 -5.887 1.00 30.44 C ATOM 843 O ASP A 52 3.190 6.696 -6.003 1.00 74.10 O ATOM 844 CB ASP A 52 0.693 5.403 -7.090 1.00 63.00 C ATOM 845 CG ASP A 52 1.150 4.494 -8.215 1.00 5.22 C ATOM 846 OD1 ASP A 52 2.225 4.722 -8.775 1.00 33.43 O ATOM 847 OD2 ASP A 52 0.423 3.532 -8.545 1.00 52.45 O ATOM 0 H ASP A 52 0.263 6.688 -5.014 1.00 2.01 H new ATOM 0 HA ASP A 52 1.292 4.047 -5.552 1.00 54.34 H new ATOM 0 HB2 ASP A 52 -0.383 5.292 -6.954 1.00 63.00 H new ATOM 0 HB3 ASP A 52 0.873 6.441 -7.371 1.00 63.00 H new ATOM 852 N PRO A 53 3.788 4.537 -5.855 1.00 51.42 N ATOM 853 CA PRO A 53 5.244 4.795 -5.872 1.00 74.50 C ATOM 854 C PRO A 53 5.770 5.504 -7.138 1.00 40.20 C ATOM 855 O PRO A 53 6.916 5.969 -7.156 1.00 1.10 O ATOM 856 CB PRO A 53 5.847 3.388 -5.779 1.00 21.32 C ATOM 857 CG PRO A 53 4.770 2.493 -6.278 1.00 64.34 C ATOM 858 CD PRO A 53 3.500 3.097 -5.787 1.00 33.23 C ATOM 0 HA PRO A 53 5.514 5.477 -5.066 1.00 74.50 H new ATOM 0 HB2 PRO A 53 6.749 3.301 -6.385 1.00 21.32 H new ATOM 0 HB3 PRO A 53 6.126 3.142 -4.755 1.00 21.32 H new ATOM 0 HG2 PRO A 53 4.782 2.432 -7.366 1.00 64.34 H new ATOM 0 HG3 PRO A 53 4.895 1.478 -5.900 1.00 64.34 H new ATOM 0 HD2 PRO A 53 2.651 2.823 -6.413 1.00 33.23 H new ATOM 0 HD3 PRO A 53 3.264 2.777 -4.772 1.00 33.23 H new ATOM 866 N LYS A 54 4.966 5.581 -8.181 1.00 40.35 N ATOM 867 CA LYS A 54 5.385 6.183 -9.401 1.00 31.14 C ATOM 868 C LYS A 54 5.331 7.736 -9.322 1.00 0.44 C ATOM 869 O LYS A 54 5.962 8.414 -10.140 1.00 20.43 O ATOM 870 CB LYS A 54 4.513 5.603 -10.527 1.00 61.30 C ATOM 871 CG LYS A 54 4.985 5.831 -11.932 1.00 60.22 C ATOM 872 CD LYS A 54 4.649 7.209 -12.472 1.00 54.01 C ATOM 873 CE LYS A 54 3.157 7.383 -12.701 1.00 41.31 C ATOM 874 NZ LYS A 54 2.642 6.437 -13.712 1.00 42.04 N ATOM 0 H LYS A 54 4.010 5.225 -8.192 1.00 40.35 H new ATOM 0 HA LYS A 54 6.430 5.952 -9.606 1.00 31.14 H new ATOM 0 HB2 LYS A 54 4.424 4.528 -10.369 1.00 61.30 H new ATOM 0 HB3 LYS A 54 3.512 6.023 -10.432 1.00 61.30 H new ATOM 0 HG2 LYS A 54 6.065 5.689 -11.971 1.00 60.22 H new ATOM 0 HG3 LYS A 54 4.541 5.077 -12.582 1.00 60.22 H new ATOM 0 HD2 LYS A 54 4.999 7.968 -11.772 1.00 54.01 H new ATOM 0 HD3 LYS A 54 5.181 7.370 -13.410 1.00 54.01 H new ATOM 0 HE2 LYS A 54 2.626 7.235 -11.761 1.00 41.31 H new ATOM 0 HE3 LYS A 54 2.956 8.405 -13.024 1.00 41.31 H new ATOM 0 HZ1 LYS A 54 1.722 6.771 -14.063 1.00 42.04 H new ATOM 0 HZ2 LYS A 54 3.314 6.375 -14.504 1.00 42.04 H new ATOM 0 HZ3 LYS A 54 2.527 5.497 -13.282 1.00 42.04 H new ATOM 888 N LEU A 55 4.611 8.289 -8.321 1.00 50.21 N ATOM 889 CA LEU A 55 4.483 9.764 -8.165 1.00 34.44 C ATOM 890 C LEU A 55 5.824 10.494 -8.283 1.00 1.21 C ATOM 891 O LEU A 55 6.824 10.084 -7.694 1.00 72.24 O ATOM 892 CB LEU A 55 3.796 10.124 -6.850 1.00 33.25 C ATOM 893 CG LEU A 55 2.322 9.729 -6.713 1.00 5.33 C ATOM 894 CD1 LEU A 55 1.726 10.344 -5.467 1.00 75.24 C ATOM 895 CD2 LEU A 55 1.541 10.153 -7.929 1.00 63.41 C ATOM 0 H LEU A 55 4.113 7.748 -7.614 1.00 50.21 H new ATOM 0 HA LEU A 55 3.860 10.103 -8.993 1.00 34.44 H new ATOM 0 HB2 LEU A 55 4.351 9.656 -6.037 1.00 33.25 H new ATOM 0 HB3 LEU A 55 3.874 11.202 -6.709 1.00 33.25 H new ATOM 0 HG LEU A 55 2.265 8.644 -6.630 1.00 5.33 H new ATOM 0 HD11 LEU A 55 0.679 10.054 -5.384 1.00 75.24 H new ATOM 0 HD12 LEU A 55 2.271 9.992 -4.591 1.00 75.24 H new ATOM 0 HD13 LEU A 55 1.798 11.430 -5.527 1.00 75.24 H new ATOM 0 HD21 LEU A 55 0.497 9.863 -7.810 1.00 63.41 H new ATOM 0 HD22 LEU A 55 1.606 11.235 -8.044 1.00 63.41 H new ATOM 0 HD23 LEU A 55 1.954 9.669 -8.814 1.00 63.41 H new ATOM 907 N LYS A 56 5.827 11.588 -9.041 1.00 25.12 N ATOM 908 CA LYS A 56 7.055 12.329 -9.333 1.00 45.52 C ATOM 909 C LYS A 56 7.709 12.868 -8.075 1.00 22.05 C ATOM 910 O LYS A 56 8.934 12.770 -7.913 1.00 72.15 O ATOM 911 CB LYS A 56 6.847 13.480 -10.342 1.00 63.52 C ATOM 912 CG LYS A 56 6.499 13.090 -11.788 1.00 44.43 C ATOM 913 CD LYS A 56 5.110 12.493 -11.959 1.00 33.15 C ATOM 914 CE LYS A 56 4.828 12.224 -13.434 1.00 43.22 C ATOM 915 NZ LYS A 56 3.464 11.705 -13.671 1.00 34.42 N ATOM 0 H LYS A 56 4.989 11.984 -9.467 1.00 25.12 H new ATOM 0 HA LYS A 56 7.721 11.600 -9.794 1.00 45.52 H new ATOM 0 HB2 LYS A 56 6.051 14.122 -9.964 1.00 63.52 H new ATOM 0 HB3 LYS A 56 7.757 14.080 -10.363 1.00 63.52 H new ATOM 0 HG2 LYS A 56 6.582 13.974 -12.420 1.00 44.43 H new ATOM 0 HG3 LYS A 56 7.237 12.372 -12.146 1.00 44.43 H new ATOM 0 HD2 LYS A 56 5.033 11.565 -11.392 1.00 33.15 H new ATOM 0 HD3 LYS A 56 4.361 13.176 -11.557 1.00 33.15 H new ATOM 0 HE2 LYS A 56 4.964 13.146 -13.999 1.00 43.22 H new ATOM 0 HE3 LYS A 56 5.556 11.507 -13.813 1.00 43.22 H new ATOM 0 HZ1 LYS A 56 3.327 11.540 -14.689 1.00 34.42 H new ATOM 0 HZ2 LYS A 56 3.338 10.811 -13.156 1.00 34.42 H new ATOM 0 HZ3 LYS A 56 2.765 12.399 -13.336 1.00 34.42 H new ATOM 929 N TRP A 57 6.909 13.417 -7.176 1.00 4.44 N ATOM 930 CA TRP A 57 7.449 13.968 -5.943 1.00 14.22 C ATOM 931 C TRP A 57 7.927 12.846 -5.027 1.00 11.10 C ATOM 932 O TRP A 57 8.793 13.045 -4.180 1.00 34.10 O ATOM 933 CB TRP A 57 6.438 14.871 -5.227 1.00 33.45 C ATOM 934 CG TRP A 57 5.212 14.181 -4.719 1.00 14.12 C ATOM 935 CD1 TRP A 57 4.051 13.947 -5.390 1.00 32.25 C ATOM 936 CD2 TRP A 57 5.027 13.643 -3.407 1.00 40.33 C ATOM 937 NE1 TRP A 57 3.162 13.319 -4.565 1.00 1.15 N ATOM 938 CE2 TRP A 57 3.735 13.121 -3.353 1.00 14.23 C ATOM 939 CE3 TRP A 57 5.833 13.560 -2.275 1.00 40.50 C ATOM 940 CZ2 TRP A 57 3.221 12.525 -2.220 1.00 41.24 C ATOM 941 CZ3 TRP A 57 5.328 12.967 -1.146 1.00 11.40 C ATOM 942 CH2 TRP A 57 4.031 12.456 -1.122 1.00 21.44 C ATOM 0 H TRP A 57 5.897 13.493 -7.273 1.00 4.44 H new ATOM 0 HA TRP A 57 8.303 14.593 -6.205 1.00 14.22 H new ATOM 0 HB2 TRP A 57 6.938 15.353 -4.387 1.00 33.45 H new ATOM 0 HB3 TRP A 57 6.132 15.661 -5.913 1.00 33.45 H new ATOM 0 HD1 TRP A 57 3.862 14.217 -6.418 1.00 32.25 H new ATOM 0 HE1 TRP A 57 2.214 13.042 -4.821 1.00 1.15 H new ATOM 0 HE3 TRP A 57 6.838 13.955 -2.286 1.00 40.50 H new ATOM 0 HZ2 TRP A 57 2.217 12.128 -2.202 1.00 41.24 H new ATOM 0 HZ3 TRP A 57 5.944 12.895 -0.262 1.00 11.40 H new ATOM 0 HH2 TRP A 57 3.659 11.997 -0.218 1.00 21.44 H new ATOM 953 N ILE A 58 7.353 11.672 -5.221 1.00 11.45 N ATOM 954 CA ILE A 58 7.725 10.479 -4.499 1.00 45.14 C ATOM 955 C ILE A 58 9.109 10.039 -4.908 1.00 74.32 C ATOM 956 O ILE A 58 9.907 9.669 -4.075 1.00 12.43 O ATOM 957 CB ILE A 58 6.673 9.352 -4.712 1.00 61.34 C ATOM 958 CG1 ILE A 58 5.418 9.621 -3.897 1.00 53.33 C ATOM 959 CG2 ILE A 58 7.213 7.967 -4.437 1.00 13.03 C ATOM 960 CD1 ILE A 58 5.648 9.601 -2.401 1.00 22.32 C ATOM 0 H ILE A 58 6.604 11.524 -5.897 1.00 11.45 H new ATOM 0 HA ILE A 58 7.744 10.701 -3.432 1.00 45.14 H new ATOM 0 HB ILE A 58 6.416 9.371 -5.771 1.00 61.34 H new ATOM 0 HG12 ILE A 58 5.013 10.592 -4.180 1.00 53.33 H new ATOM 0 HG13 ILE A 58 4.664 8.875 -4.150 1.00 53.33 H new ATOM 0 HG21 ILE A 58 6.427 7.230 -4.605 1.00 13.03 H new ATOM 0 HG22 ILE A 58 8.050 7.764 -5.105 1.00 13.03 H new ATOM 0 HG23 ILE A 58 7.551 7.907 -3.403 1.00 13.03 H new ATOM 0 HD11 ILE A 58 4.708 9.801 -1.886 1.00 22.32 H new ATOM 0 HD12 ILE A 58 6.024 8.622 -2.104 1.00 22.32 H new ATOM 0 HD13 ILE A 58 6.377 10.366 -2.135 1.00 22.32 H new ATOM 972 N GLN A 59 9.391 10.119 -6.188 1.00 24.13 N ATOM 973 CA GLN A 59 10.708 9.793 -6.711 1.00 33.14 C ATOM 974 C GLN A 59 11.771 10.707 -6.054 1.00 53.24 C ATOM 975 O GLN A 59 12.839 10.250 -5.643 1.00 51.43 O ATOM 976 CB GLN A 59 10.709 9.957 -8.230 1.00 21.21 C ATOM 977 CG GLN A 59 9.673 9.089 -8.949 1.00 14.33 C ATOM 978 CD GLN A 59 9.651 9.305 -10.454 1.00 15.01 C ATOM 979 OE1 GLN A 59 10.666 9.634 -11.060 1.00 61.42 O ATOM 980 NE2 GLN A 59 8.504 9.132 -11.063 1.00 40.35 N ATOM 0 H GLN A 59 8.720 10.410 -6.898 1.00 24.13 H new ATOM 0 HA GLN A 59 10.953 8.758 -6.475 1.00 33.14 H new ATOM 0 HB2 GLN A 59 10.523 11.003 -8.473 1.00 21.21 H new ATOM 0 HB3 GLN A 59 11.701 9.713 -8.611 1.00 21.21 H new ATOM 0 HG2 GLN A 59 9.882 8.039 -8.742 1.00 14.33 H new ATOM 0 HG3 GLN A 59 8.684 9.303 -8.543 1.00 14.33 H new ATOM 0 HE21 GLN A 59 7.679 8.858 -10.529 1.00 40.35 H new ATOM 0 HE22 GLN A 59 8.436 9.271 -12.071 1.00 40.35 H new ATOM 989 N GLU A 60 11.428 11.997 -5.922 1.00 52.22 N ATOM 990 CA GLU A 60 12.295 12.991 -5.262 1.00 72.12 C ATOM 991 C GLU A 60 12.457 12.618 -3.780 1.00 61.41 C ATOM 992 O GLU A 60 13.541 12.713 -3.192 1.00 72.42 O ATOM 993 CB GLU A 60 11.648 14.384 -5.335 1.00 62.23 C ATOM 994 CG GLU A 60 11.332 14.881 -6.732 1.00 62.53 C ATOM 995 CD GLU A 60 12.552 15.029 -7.595 1.00 43.31 C ATOM 996 OE1 GLU A 60 13.239 16.065 -7.501 1.00 30.42 O ATOM 997 OE2 GLU A 60 12.842 14.123 -8.382 1.00 11.15 O ATOM 0 H GLU A 60 10.548 12.381 -6.266 1.00 52.22 H new ATOM 0 HA GLU A 60 13.262 13.002 -5.765 1.00 72.12 H new ATOM 0 HB2 GLU A 60 10.725 14.368 -4.756 1.00 62.23 H new ATOM 0 HB3 GLU A 60 12.314 15.101 -4.854 1.00 62.23 H new ATOM 0 HG2 GLU A 60 10.639 14.189 -7.209 1.00 62.53 H new ATOM 0 HG3 GLU A 60 10.824 15.843 -6.663 1.00 62.53 H new ATOM 1004 N TYR A 61 11.353 12.196 -3.205 1.00 25.53 N ATOM 1005 CA TYR A 61 11.255 11.796 -1.815 1.00 24.25 C ATOM 1006 C TYR A 61 12.112 10.580 -1.532 1.00 0.04 C ATOM 1007 O TYR A 61 12.829 10.542 -0.541 1.00 75.01 O ATOM 1008 CB TYR A 61 9.770 11.542 -1.466 1.00 41.14 C ATOM 1009 CG TYR A 61 9.499 10.895 -0.123 1.00 0.21 C ATOM 1010 CD1 TYR A 61 9.797 11.543 1.067 1.00 3.23 C ATOM 1011 CD2 TYR A 61 8.940 9.619 -0.059 1.00 43.51 C ATOM 1012 CE1 TYR A 61 9.549 10.938 2.285 1.00 41.21 C ATOM 1013 CE2 TYR A 61 8.684 9.010 1.145 1.00 32.43 C ATOM 1014 CZ TYR A 61 8.992 9.676 2.322 1.00 44.34 C ATOM 1015 OH TYR A 61 8.736 9.076 3.541 1.00 30.50 O ATOM 0 H TYR A 61 10.468 12.119 -3.707 1.00 25.53 H new ATOM 0 HA TYR A 61 11.634 12.598 -1.181 1.00 24.25 H new ATOM 0 HB2 TYR A 61 9.242 12.495 -1.500 1.00 41.14 H new ATOM 0 HB3 TYR A 61 9.339 10.911 -2.243 1.00 41.14 H new ATOM 0 HD1 TYR A 61 10.228 12.533 1.041 1.00 3.23 H new ATOM 0 HD2 TYR A 61 8.703 9.099 -0.975 1.00 43.51 H new ATOM 0 HE1 TYR A 61 9.790 11.451 3.204 1.00 41.21 H new ATOM 0 HE2 TYR A 61 8.247 8.023 1.175 1.00 32.43 H new ATOM 0 HH TYR A 61 8.541 9.765 4.210 1.00 30.50 H new ATOM 1025 N LEU A 62 12.058 9.609 -2.414 1.00 23.14 N ATOM 1026 CA LEU A 62 12.805 8.382 -2.252 1.00 54.22 C ATOM 1027 C LEU A 62 14.287 8.643 -2.257 1.00 22.41 C ATOM 1028 O LEU A 62 15.004 8.178 -1.375 1.00 24.34 O ATOM 1029 CB LEU A 62 12.437 7.376 -3.333 1.00 22.15 C ATOM 1030 CG LEU A 62 10.977 6.956 -3.358 1.00 34.04 C ATOM 1031 CD1 LEU A 62 10.729 5.947 -4.451 1.00 21.24 C ATOM 1032 CD2 LEU A 62 10.558 6.417 -2.009 1.00 54.44 C ATOM 0 H LEU A 62 11.495 9.647 -3.264 1.00 23.14 H new ATOM 0 HA LEU A 62 12.540 7.958 -1.283 1.00 54.22 H new ATOM 0 HB2 LEU A 62 12.693 7.801 -4.304 1.00 22.15 H new ATOM 0 HB3 LEU A 62 13.052 6.486 -3.202 1.00 22.15 H new ATOM 0 HG LEU A 62 10.368 7.834 -3.574 1.00 34.04 H new ATOM 0 HD11 LEU A 62 9.677 5.661 -4.450 1.00 21.24 H new ATOM 0 HD12 LEU A 62 10.985 6.385 -5.416 1.00 21.24 H new ATOM 0 HD13 LEU A 62 11.345 5.065 -4.278 1.00 21.24 H new ATOM 0 HD21 LEU A 62 9.510 6.121 -2.045 1.00 54.44 H new ATOM 0 HD22 LEU A 62 11.171 5.552 -1.757 1.00 54.44 H new ATOM 0 HD23 LEU A 62 10.691 7.189 -1.251 1.00 54.44 H new ATOM 1044 N GLU A 63 14.736 9.408 -3.218 1.00 52.12 N ATOM 1045 CA GLU A 63 16.145 9.714 -3.320 1.00 71.45 C ATOM 1046 C GLU A 63 16.655 10.496 -2.108 1.00 50.23 C ATOM 1047 O GLU A 63 17.723 10.230 -1.601 1.00 1.04 O ATOM 1048 CB GLU A 63 16.472 10.438 -4.620 1.00 23.32 C ATOM 1049 CG GLU A 63 16.111 9.641 -5.857 1.00 30.13 C ATOM 1050 CD GLU A 63 16.604 10.282 -7.127 1.00 14.42 C ATOM 1051 OE1 GLU A 63 17.798 10.127 -7.447 1.00 14.52 O ATOM 1052 OE2 GLU A 63 15.808 10.937 -7.832 1.00 44.31 O ATOM 0 H GLU A 63 14.152 9.830 -3.940 1.00 52.12 H new ATOM 0 HA GLU A 63 16.671 8.759 -3.332 1.00 71.45 H new ATOM 0 HB2 GLU A 63 15.941 11.389 -4.641 1.00 23.32 H new ATOM 0 HB3 GLU A 63 17.537 10.667 -4.642 1.00 23.32 H new ATOM 0 HG2 GLU A 63 16.532 8.639 -5.774 1.00 30.13 H new ATOM 0 HG3 GLU A 63 15.028 9.529 -5.908 1.00 30.13 H new ATOM 1059 N LYS A 64 15.878 11.419 -1.614 1.00 62.15 N ATOM 1060 CA LYS A 64 16.341 12.220 -0.499 1.00 55.44 C ATOM 1061 C LYS A 64 16.138 11.545 0.864 1.00 63.33 C ATOM 1062 O LYS A 64 16.871 11.833 1.806 1.00 61.40 O ATOM 1063 CB LYS A 64 15.734 13.621 -0.521 1.00 1.24 C ATOM 1064 CG LYS A 64 16.080 14.434 -1.780 1.00 53.43 C ATOM 1065 CD LYS A 64 17.599 14.578 -1.993 1.00 62.22 C ATOM 1066 CE LYS A 64 18.292 15.340 -0.859 1.00 13.24 C ATOM 1067 NZ LYS A 64 17.843 16.747 -0.767 1.00 52.02 N ATOM 0 H LYS A 64 14.941 11.638 -1.951 1.00 62.15 H new ATOM 0 HA LYS A 64 17.419 12.315 -0.631 1.00 55.44 H new ATOM 0 HB2 LYS A 64 14.650 13.537 -0.442 1.00 1.24 H new ATOM 0 HB3 LYS A 64 16.077 14.168 0.357 1.00 1.24 H new ATOM 0 HG2 LYS A 64 15.639 13.952 -2.652 1.00 53.43 H new ATOM 0 HG3 LYS A 64 15.632 15.425 -1.703 1.00 53.43 H new ATOM 0 HD2 LYS A 64 18.044 13.587 -2.082 1.00 62.22 H new ATOM 0 HD3 LYS A 64 17.781 15.095 -2.935 1.00 62.22 H new ATOM 0 HE2 LYS A 64 18.095 14.836 0.087 1.00 13.24 H new ATOM 0 HE3 LYS A 64 19.371 15.315 -1.014 1.00 13.24 H new ATOM 0 HZ1 LYS A 64 18.400 17.243 -0.042 1.00 52.02 H new ATOM 0 HZ2 LYS A 64 17.976 17.215 -1.686 1.00 52.02 H new ATOM 0 HZ3 LYS A 64 16.836 16.774 -0.508 1.00 52.02 H new ATOM 1081 N ALA A 65 15.171 10.654 0.971 1.00 73.13 N ATOM 1082 CA ALA A 65 14.901 10.004 2.254 1.00 50.33 C ATOM 1083 C ALA A 65 15.547 8.631 2.374 1.00 40.41 C ATOM 1084 O ALA A 65 16.019 8.254 3.446 1.00 44.13 O ATOM 1085 CB ALA A 65 13.402 9.892 2.501 1.00 32.40 C ATOM 0 H ALA A 65 14.565 10.363 0.204 1.00 73.13 H new ATOM 0 HA ALA A 65 15.351 10.641 3.016 1.00 50.33 H new ATOM 0 HB1 ALA A 65 13.227 9.406 3.461 1.00 32.40 H new ATOM 0 HB2 ALA A 65 12.960 10.888 2.513 1.00 32.40 H new ATOM 0 HB3 ALA A 65 12.945 9.302 1.706 1.00 32.40 H new ATOM 1091 N LEU A 66 15.578 7.883 1.293 1.00 53.14 N ATOM 1092 CA LEU A 66 16.082 6.511 1.351 1.00 3.35 C ATOM 1093 C LEU A 66 17.553 6.409 0.985 1.00 13.04 C ATOM 1094 O LEU A 66 18.221 5.431 1.336 1.00 23.34 O ATOM 1095 CB LEU A 66 15.236 5.570 0.487 1.00 23.30 C ATOM 1096 CG LEU A 66 13.749 5.465 0.850 1.00 33.10 C ATOM 1097 CD1 LEU A 66 13.048 4.468 -0.053 1.00 53.44 C ATOM 1098 CD2 LEU A 66 13.570 5.085 2.313 1.00 23.31 C ATOM 0 H LEU A 66 15.267 8.188 0.371 1.00 53.14 H new ATOM 0 HA LEU A 66 15.994 6.195 2.390 1.00 3.35 H new ATOM 0 HB2 LEU A 66 15.313 5.897 -0.550 1.00 23.30 H new ATOM 0 HB3 LEU A 66 15.672 4.572 0.540 1.00 23.30 H new ATOM 0 HG LEU A 66 13.294 6.444 0.699 1.00 33.10 H new ATOM 0 HD11 LEU A 66 11.995 4.408 0.220 1.00 53.44 H new ATOM 0 HD12 LEU A 66 13.136 4.792 -1.090 1.00 53.44 H new ATOM 0 HD13 LEU A 66 13.509 3.487 0.061 1.00 53.44 H new ATOM 0 HD21 LEU A 66 12.507 5.017 2.544 1.00 23.31 H new ATOM 0 HD22 LEU A 66 14.044 4.121 2.499 1.00 23.31 H new ATOM 0 HD23 LEU A 66 14.031 5.844 2.945 1.00 23.31 H new ATOM 1110 N ASN A 67 18.055 7.388 0.271 1.00 25.54 N ATOM 1111 CA ASN A 67 19.480 7.421 -0.067 1.00 63.54 C ATOM 1112 C ASN A 67 20.234 8.150 1.038 1.00 51.11 C ATOM 1113 O ASN A 67 21.349 7.775 1.418 1.00 10.12 O ATOM 1114 CB ASN A 67 19.702 8.129 -1.409 1.00 31.53 C ATOM 1115 CG ASN A 67 21.156 8.220 -1.837 1.00 73.21 C ATOM 1116 OD1 ASN A 67 21.967 7.333 -1.559 1.00 74.31 O ATOM 1117 ND2 ASN A 67 21.502 9.296 -2.503 1.00 14.52 N ATOM 0 H ASN A 67 17.512 8.172 -0.090 1.00 25.54 H new ATOM 0 HA ASN A 67 19.851 6.400 -0.157 1.00 63.54 H new ATOM 0 HB2 ASN A 67 19.141 7.602 -2.181 1.00 31.53 H new ATOM 0 HB3 ASN A 67 19.290 9.136 -1.347 1.00 31.53 H new ATOM 0 HD21 ASN A 67 22.468 9.419 -2.808 1.00 14.52 H new ATOM 0 HD22 ASN A 67 20.805 10.010 -2.716 1.00 14.52 H new ATOM 1124 N LYS A 68 19.613 9.183 1.565 1.00 43.44 N ATOM 1125 CA LYS A 68 20.196 9.961 2.629 1.00 74.40 C ATOM 1126 C LYS A 68 19.575 9.478 3.933 1.00 60.32 C ATOM 1127 O LYS A 68 18.500 9.954 4.289 1.00 37.73 O ATOM 1128 CB LYS A 68 19.935 11.483 2.379 1.00 73.41 C ATOM 1129 CG LYS A 68 20.710 12.478 3.266 1.00 31.53 C ATOM 1130 CD LYS A 68 20.270 12.510 4.735 1.00 52.41 C ATOM 1131 CE LYS A 68 18.896 13.183 4.971 1.00 75.12 C ATOM 1132 NZ LYS A 68 17.747 12.453 4.374 1.00 0.23 N ATOM 1133 OXT LYS A 68 20.154 8.588 4.584 1.00 37.73 O ATOM 0 H LYS A 68 18.692 9.504 1.267 1.00 43.44 H new ATOM 0 HA LYS A 68 21.277 9.833 2.675 1.00 74.40 H new ATOM 0 HB2 LYS A 68 20.172 11.701 1.338 1.00 73.41 H new ATOM 0 HB3 LYS A 68 18.869 11.671 2.510 1.00 73.41 H new ATOM 0 HG2 LYS A 68 21.771 12.230 3.225 1.00 31.53 H new ATOM 0 HG3 LYS A 68 20.600 13.478 2.847 1.00 31.53 H new ATOM 0 HD2 LYS A 68 20.232 11.489 5.113 1.00 52.41 H new ATOM 0 HD3 LYS A 68 21.025 13.038 5.318 1.00 52.41 H new ATOM 0 HE2 LYS A 68 18.732 13.280 6.044 1.00 75.12 H new ATOM 0 HE3 LYS A 68 18.923 14.192 4.560 1.00 75.12 H new ATOM 0 HZ1 LYS A 68 16.868 12.739 4.851 1.00 0.23 H new ATOM 0 HZ2 LYS A 68 17.680 12.679 3.361 1.00 0.23 H new ATOM 0 HZ3 LYS A 68 17.887 11.429 4.492 1.00 0.23 H new TER 1147 LYS A 68