USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 743 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.36) USER MOD Single : A 26 SER OG : rot -170:sc= -1.47 USER MOD Single : A 30 SER OG : rot 139:sc= -1.1 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc=-0.00226 X(o=-0.0023,f=-0.04) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -109:sc= 1.25 USER MOD Single : A 52 SER OG : rot 178:sc= -2.08! USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.282) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.7) USER MOD Single : A 91 TYR OH : rot 60:sc= 1.62 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 139:sc= -2.78! (180deg=-5.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -4.460 12.687 -7.006 1.00 0.00 N ATOM 2 CA ARG A 22 -5.733 12.763 -6.244 1.00 0.00 C ATOM 3 C ARG A 22 -6.168 11.388 -5.758 1.00 0.00 C ATOM 4 O ARG A 22 -6.713 11.249 -4.663 1.00 0.00 O ATOM 5 CB ARG A 22 -6.813 13.360 -7.152 1.00 0.00 C ATOM 6 CG ARG A 22 -7.527 12.332 -8.025 1.00 0.00 C ATOM 7 CD ARG A 22 -8.753 12.932 -8.694 1.00 0.00 C ATOM 8 NE ARG A 22 -9.861 13.096 -7.755 1.00 0.00 N ATOM 9 CZ ARG A 22 -10.869 13.948 -7.937 1.00 0.00 C ATOM 10 NH1 ARG A 22 -10.917 14.709 -9.024 1.00 0.00 N ATOM 11 NH2 ARG A 22 -11.833 14.036 -7.031 1.00 0.00 N ATOM 0 HA ARG A 22 -5.584 13.393 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.551 13.872 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.357 14.114 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.841 11.959 -8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.824 11.478 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.495 13.900 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.067 12.291 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.863 12.524 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.179 14.643 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.691 15.359 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.803 13.452 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.605 14.688 -7.170 1.00 0.00 H new ATOM 27 N LEU A 23 -5.935 10.381 -6.599 1.00 0.00 N ATOM 28 CA LEU A 23 -6.309 9.002 -6.290 1.00 0.00 C ATOM 29 C LEU A 23 -6.178 8.717 -4.802 1.00 0.00 C ATOM 30 O LEU A 23 -5.233 9.154 -4.161 1.00 0.00 O ATOM 31 CB LEU A 23 -5.454 8.025 -7.106 1.00 0.00 C ATOM 32 CG LEU A 23 -5.591 8.123 -8.639 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.784 6.741 -9.247 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.739 9.040 -9.052 1.00 0.00 C ATOM 0 H LEU A 23 -5.485 10.497 -7.507 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.355 8.864 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.408 8.183 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.709 7.010 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.666 8.557 -9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.879 6.830 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.924 6.115 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.687 6.287 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.799 9.080 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.676 8.654 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.563 10.042 -8.661 1.00 0.00 H new ATOM 46 N ARG A 24 -7.158 8.014 -4.257 1.00 0.00 N ATOM 47 CA ARG A 24 -7.168 7.696 -2.832 1.00 0.00 C ATOM 48 C ARG A 24 -6.523 6.338 -2.550 1.00 0.00 C ATOM 49 O ARG A 24 -6.935 5.317 -3.098 1.00 0.00 O ATOM 50 CB ARG A 24 -8.606 7.730 -2.300 1.00 0.00 C ATOM 51 CG ARG A 24 -8.800 7.014 -0.970 1.00 0.00 C ATOM 52 CD ARG A 24 -9.749 7.776 -0.057 1.00 0.00 C ATOM 53 NE ARG A 24 -10.916 6.976 0.308 1.00 0.00 N ATOM 54 CZ ARG A 24 -12.051 7.491 0.777 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.175 8.803 0.941 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.064 6.693 1.083 1.00 0.00 N ATOM 0 H ARG A 24 -7.958 7.652 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.575 8.450 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.915 8.769 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.266 7.279 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.192 6.013 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.836 6.895 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.219 8.078 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.076 8.689 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.858 5.964 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.399 9.422 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.047 9.192 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.974 5.685 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.933 7.087 1.442 1.00 0.00 H new ATOM 70 N LEU A 25 -5.515 6.340 -1.678 1.00 0.00 N ATOM 71 CA LEU A 25 -4.816 5.122 -1.301 1.00 0.00 C ATOM 72 C LEU A 25 -5.506 4.480 -0.103 1.00 0.00 C ATOM 73 O LEU A 25 -5.997 5.177 0.784 1.00 0.00 O ATOM 74 CB LEU A 25 -3.361 5.434 -0.952 1.00 0.00 C ATOM 75 CG LEU A 25 -2.388 4.275 -1.125 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.950 4.740 -0.944 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.709 3.157 -0.150 1.00 0.00 C ATOM 0 H LEU A 25 -5.166 7.181 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.837 4.430 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.026 6.264 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.317 5.772 0.083 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.498 3.892 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.275 3.894 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.719 5.504 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.825 5.155 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.003 2.339 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.633 3.532 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.722 2.797 -0.330 1.00 0.00 H new ATOM 89 N SER A 26 -5.544 3.155 -0.078 1.00 0.00 N ATOM 90 CA SER A 26 -6.183 2.441 1.024 1.00 0.00 C ATOM 91 C SER A 26 -5.437 1.155 1.336 1.00 0.00 C ATOM 92 O SER A 26 -5.483 0.200 0.566 1.00 0.00 O ATOM 93 CB SER A 26 -7.640 2.129 0.681 1.00 0.00 C ATOM 94 OG SER A 26 -8.191 3.128 -0.160 1.00 0.00 O ATOM 0 H SER A 26 -5.145 2.555 -0.800 1.00 0.00 H new ATOM 0 HA SER A 26 -6.155 3.081 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.701 1.159 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.225 2.057 1.598 1.00 0.00 H new ATOM 0 HG SER A 26 -9.159 2.994 -0.237 1.00 0.00 H new ATOM 100 N VAL A 27 -4.745 1.134 2.467 1.00 0.00 N ATOM 101 CA VAL A 27 -3.986 -0.041 2.859 1.00 0.00 C ATOM 102 C VAL A 27 -4.754 -0.909 3.845 1.00 0.00 C ATOM 103 O VAL A 27 -5.143 -0.462 4.924 1.00 0.00 O ATOM 104 CB VAL A 27 -2.616 0.343 3.449 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.725 0.760 4.909 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.634 -0.801 3.289 1.00 0.00 C ATOM 0 H VAL A 27 -4.695 1.913 3.124 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.822 -0.622 1.952 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.246 1.205 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.737 1.023 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.387 1.622 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.129 -0.066 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.670 -0.515 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.012 -1.680 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.513 -1.031 2.230 1.00 0.00 H new ATOM 116 N PHE A 28 -4.969 -2.154 3.453 1.00 0.00 N ATOM 117 CA PHE A 28 -5.686 -3.105 4.273 1.00 0.00 C ATOM 118 C PHE A 28 -4.755 -4.152 4.872 1.00 0.00 C ATOM 119 O PHE A 28 -3.851 -4.657 4.207 1.00 0.00 O ATOM 120 CB PHE A 28 -6.768 -3.795 3.452 1.00 0.00 C ATOM 121 CG PHE A 28 -8.020 -3.996 4.235 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.655 -2.913 4.809 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.546 -5.261 4.422 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.798 -3.082 5.555 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.689 -5.441 5.172 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.318 -4.350 5.741 1.00 0.00 C ATOM 0 H PHE A 28 -4.651 -2.529 2.559 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.142 -2.550 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.986 -3.199 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.399 -4.760 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.250 -1.922 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.058 -6.115 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.289 -2.226 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.092 -6.433 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.213 -4.487 6.329 1.00 0.00 H new ATOM 136 N ARG A 29 -5.008 -4.484 6.131 1.00 0.00 N ATOM 137 CA ARG A 29 -4.228 -5.486 6.844 1.00 0.00 C ATOM 138 C ARG A 29 -5.105 -6.168 7.883 1.00 0.00 C ATOM 139 O ARG A 29 -5.731 -5.503 8.710 1.00 0.00 O ATOM 140 CB ARG A 29 -2.996 -4.865 7.516 1.00 0.00 C ATOM 141 CG ARG A 29 -3.076 -3.357 7.701 1.00 0.00 C ATOM 142 CD ARG A 29 -1.802 -2.804 8.323 1.00 0.00 C ATOM 143 NE ARG A 29 -1.291 -1.644 7.596 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.707 -1.722 6.403 1.00 0.00 C ATOM 145 NH1 ARG A 29 -0.627 -2.883 5.774 1.00 0.00 N ATOM 146 NH2 ARG A 29 -0.210 -0.637 5.830 1.00 0.00 N ATOM 0 H ARG A 29 -5.757 -4.068 6.685 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.874 -6.222 6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.855 -5.332 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.114 -5.100 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.248 -2.880 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.928 -3.112 8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.997 -2.525 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.040 -3.584 8.341 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.387 -0.724 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.014 -3.723 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.178 -2.938 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.274 0.264 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.237 -0.702 4.915 1.00 0.00 H new ATOM 160 N SER A 30 -5.159 -7.491 7.836 1.00 0.00 N ATOM 161 CA SER A 30 -5.981 -8.241 8.782 1.00 0.00 C ATOM 162 C SER A 30 -5.183 -8.586 10.038 1.00 0.00 C ATOM 163 O SER A 30 -5.290 -7.907 11.059 1.00 0.00 O ATOM 164 CB SER A 30 -6.523 -9.517 8.128 1.00 0.00 C ATOM 165 OG SER A 30 -5.996 -9.690 6.824 1.00 0.00 O ATOM 0 H SER A 30 -4.651 -8.064 7.163 1.00 0.00 H new ATOM 0 HA SER A 30 -6.824 -7.614 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.268 -10.380 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.611 -9.470 8.080 1.00 0.00 H new ATOM 0 HG SER A 30 -5.774 -10.634 6.684 1.00 0.00 H new ATOM 171 N LEU A 31 -4.376 -9.637 9.950 1.00 0.00 N ATOM 172 CA LEU A 31 -3.547 -10.070 11.070 1.00 0.00 C ATOM 173 C LEU A 31 -2.213 -10.586 10.551 1.00 0.00 C ATOM 174 O LEU A 31 -1.148 -10.156 10.996 1.00 0.00 O ATOM 175 CB LEU A 31 -4.255 -11.161 11.881 1.00 0.00 C ATOM 176 CG LEU A 31 -5.237 -12.029 11.092 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.158 -13.478 11.548 1.00 0.00 C ATOM 178 CD2 LEU A 31 -6.655 -11.498 11.242 1.00 0.00 C ATOM 0 H LEU A 31 -4.278 -10.208 9.110 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.374 -9.217 11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.499 -11.809 12.325 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.793 -10.688 12.703 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.962 -11.987 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.864 -14.079 10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.148 -13.855 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.406 -13.540 12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.341 -12.127 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.938 -11.510 12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.703 -10.477 10.865 1.00 0.00 H new ATOM 190 N LYS A 32 -2.287 -11.494 9.587 1.00 0.00 N ATOM 191 CA LYS A 32 -1.098 -12.063 8.970 1.00 0.00 C ATOM 192 C LYS A 32 -1.085 -11.746 7.477 1.00 0.00 C ATOM 193 O LYS A 32 -0.453 -12.447 6.686 1.00 0.00 O ATOM 194 CB LYS A 32 -1.059 -13.578 9.186 1.00 0.00 C ATOM 195 CG LYS A 32 0.347 -14.136 9.335 1.00 0.00 C ATOM 196 CD LYS A 32 0.358 -15.651 9.215 1.00 0.00 C ATOM 197 CE LYS A 32 1.775 -16.195 9.152 1.00 0.00 C ATOM 198 NZ LYS A 32 1.794 -17.676 8.995 1.00 0.00 N ATOM 0 H LYS A 32 -3.165 -11.854 9.214 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.216 -11.623 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.635 -13.824 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.548 -14.069 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.994 -13.704 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.756 -13.843 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.163 -16.088 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.188 -15.950 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.304 -15.735 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.311 -15.919 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.779 -18.008 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.311 -18.117 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.305 -17.938 8.115 1.00 0.00 H new ATOM 212 N HIS A 33 -1.798 -10.685 7.102 1.00 0.00 N ATOM 213 CA HIS A 33 -1.885 -10.270 5.708 1.00 0.00 C ATOM 214 C HIS A 33 -1.441 -8.822 5.537 1.00 0.00 C ATOM 215 O HIS A 33 -1.199 -8.113 6.514 1.00 0.00 O ATOM 216 CB HIS A 33 -3.319 -10.429 5.202 1.00 0.00 C ATOM 217 CG HIS A 33 -3.702 -11.847 4.921 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.888 -12.789 5.911 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.937 -12.482 3.751 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.220 -13.943 5.360 1.00 0.00 C ATOM 221 NE2 HIS A 33 -4.257 -13.783 4.051 1.00 0.00 N ATOM 0 H HIS A 33 -2.324 -10.097 7.748 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.219 -10.907 5.125 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.004 -10.016 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.441 -9.841 4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.883 -12.047 2.764 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.426 -14.861 5.891 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.486 -14.509 3.372 1.00 0.00 H new ATOM 230 N ILE A 34 -1.334 -8.394 4.285 1.00 0.00 N ATOM 231 CA ILE A 34 -0.918 -7.033 3.968 1.00 0.00 C ATOM 232 C ILE A 34 -1.345 -6.674 2.545 1.00 0.00 C ATOM 233 O ILE A 34 -1.053 -7.409 1.601 1.00 0.00 O ATOM 234 CB ILE A 34 0.617 -6.873 4.124 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.180 -5.830 3.151 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.309 -8.211 3.911 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.514 -4.479 3.253 1.00 0.00 C ATOM 0 H ILE A 34 -1.531 -8.973 3.469 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.403 -6.353 4.668 1.00 0.00 H new ATOM 0 HB ILE A 34 0.811 -6.523 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.248 -5.713 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.072 -6.202 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.386 -8.086 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.949 -8.928 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.089 -8.579 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.966 -3.795 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.550 -4.581 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.644 -4.084 4.261 1.00 0.00 H new ATOM 249 N TYR A 35 -2.050 -5.555 2.392 1.00 0.00 N ATOM 250 CA TYR A 35 -2.524 -5.136 1.079 1.00 0.00 C ATOM 251 C TYR A 35 -2.646 -3.618 0.972 1.00 0.00 C ATOM 252 O TYR A 35 -2.947 -2.937 1.947 1.00 0.00 O ATOM 253 CB TYR A 35 -3.896 -5.762 0.797 1.00 0.00 C ATOM 254 CG TYR A 35 -3.860 -7.255 0.544 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.659 -8.152 1.585 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.029 -7.766 -0.737 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.625 -9.513 1.359 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.999 -9.128 -0.972 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.795 -9.997 0.079 1.00 0.00 C ATOM 260 OH TYR A 35 -3.763 -11.353 -0.150 1.00 0.00 O ATOM 0 H TYR A 35 -2.303 -4.928 3.156 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.790 -5.474 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.553 -5.565 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.336 -5.269 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.527 -7.778 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.186 -7.088 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.466 -10.196 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.135 -9.509 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.900 -11.527 -1.105 1.00 0.00 H new ATOM 270 N ALA A 36 -2.456 -3.109 -0.240 1.00 0.00 N ATOM 271 CA ALA A 36 -2.595 -1.681 -0.519 1.00 0.00 C ATOM 272 C ALA A 36 -3.398 -1.503 -1.796 1.00 0.00 C ATOM 273 O ALA A 36 -3.015 -2.003 -2.854 1.00 0.00 O ATOM 274 CB ALA A 36 -1.251 -0.972 -0.645 1.00 0.00 C ATOM 0 H ALA A 36 -2.203 -3.669 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.112 -1.226 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.415 0.085 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.695 -1.077 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.680 -1.417 -1.460 1.00 0.00 H new ATOM 280 N GLN A 37 -4.512 -0.800 -1.694 1.00 0.00 N ATOM 281 CA GLN A 37 -5.371 -0.567 -2.841 1.00 0.00 C ATOM 282 C GLN A 37 -5.352 0.898 -3.229 1.00 0.00 C ATOM 283 O GLN A 37 -5.829 1.759 -2.490 1.00 0.00 O ATOM 284 CB GLN A 37 -6.804 -1.017 -2.544 1.00 0.00 C ATOM 285 CG GLN A 37 -7.252 -2.207 -3.376 1.00 0.00 C ATOM 286 CD GLN A 37 -7.146 -3.518 -2.621 1.00 0.00 C ATOM 287 OE1 GLN A 37 -7.031 -3.535 -1.396 1.00 0.00 O ATOM 288 NE2 GLN A 37 -7.185 -4.626 -3.352 1.00 0.00 N ATOM 0 H GLN A 37 -4.844 -0.380 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.990 -1.155 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.884 -1.272 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.482 -0.183 -2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.284 -2.057 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.646 -2.262 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.281 -4.565 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.119 -5.538 -2.900 1.00 0.00 H new ATOM 297 N ILE A 38 -4.802 1.171 -4.398 1.00 0.00 N ATOM 298 CA ILE A 38 -4.723 2.528 -4.901 1.00 0.00 C ATOM 299 C ILE A 38 -5.902 2.782 -5.829 1.00 0.00 C ATOM 300 O ILE A 38 -5.908 2.346 -6.985 1.00 0.00 O ATOM 301 CB ILE A 38 -3.391 2.791 -5.633 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.269 1.880 -5.073 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.023 4.264 -5.521 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.397 2.501 -4.003 1.00 0.00 C ATOM 0 H ILE A 38 -4.402 0.467 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.762 3.215 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.510 2.548 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.727 0.978 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.632 1.568 -5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.081 4.444 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.808 4.871 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.916 4.533 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.646 1.779 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.902 3.385 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.014 2.786 -3.151 1.00 0.00 H new ATOM 316 N ILE A 39 -6.921 3.441 -5.283 1.00 0.00 N ATOM 317 CA ILE A 39 -8.156 3.716 -6.015 1.00 0.00 C ATOM 318 C ILE A 39 -8.240 5.141 -6.540 1.00 0.00 C ATOM 319 O ILE A 39 -7.560 6.045 -6.056 1.00 0.00 O ATOM 320 CB ILE A 39 -9.386 3.493 -5.112 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.182 2.282 -4.203 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.645 3.341 -5.948 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.772 2.665 -2.799 1.00 0.00 C ATOM 0 H ILE A 39 -6.915 3.798 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.147 3.027 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.506 4.371 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.106 1.705 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.420 1.634 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.501 3.185 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.801 4.244 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.538 2.485 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.642 1.764 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.833 3.218 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.545 3.290 -2.352 1.00 0.00 H new ATOM 335 N ASP A 40 -9.133 5.327 -7.508 1.00 0.00 N ATOM 336 CA ASP A 40 -9.388 6.630 -8.090 1.00 0.00 C ATOM 337 C ASP A 40 -10.559 7.266 -7.353 1.00 0.00 C ATOM 338 O ASP A 40 -11.700 6.789 -7.456 1.00 0.00 O ATOM 339 CB ASP A 40 -9.712 6.511 -9.582 1.00 0.00 C ATOM 340 CG ASP A 40 -9.126 7.648 -10.394 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.441 8.818 -10.090 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.352 7.370 -11.334 1.00 0.00 O ATOM 0 H ASP A 40 -9.697 4.576 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.496 7.249 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.328 5.563 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.794 6.493 -9.716 1.00 0.00 H new ATOM 347 N ASP A 41 -10.250 8.315 -6.588 1.00 0.00 N ATOM 348 CA ASP A 41 -11.241 9.030 -5.779 1.00 0.00 C ATOM 349 C ASP A 41 -11.927 10.158 -6.553 1.00 0.00 C ATOM 350 O ASP A 41 -12.425 11.116 -5.962 1.00 0.00 O ATOM 351 CB ASP A 41 -10.588 9.589 -4.512 1.00 0.00 C ATOM 352 CG ASP A 41 -9.615 10.718 -4.801 1.00 0.00 C ATOM 353 OD1 ASP A 41 -9.415 11.039 -5.990 1.00 0.00 O ATOM 354 OD2 ASP A 41 -9.056 11.279 -3.836 1.00 0.00 O ATOM 0 H ASP A 41 -9.306 8.693 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.011 8.307 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.365 9.949 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.063 8.786 -3.995 1.00 0.00 H new ATOM 359 N GLU A 42 -11.999 10.003 -7.863 1.00 0.00 N ATOM 360 CA GLU A 42 -12.681 10.964 -8.727 1.00 0.00 C ATOM 361 C GLU A 42 -13.901 10.241 -9.240 1.00 0.00 C ATOM 362 O GLU A 42 -15.039 10.698 -9.127 1.00 0.00 O ATOM 363 CB GLU A 42 -11.780 11.405 -9.883 1.00 0.00 C ATOM 364 CG GLU A 42 -12.503 12.216 -10.947 1.00 0.00 C ATOM 365 CD GLU A 42 -11.553 13.020 -11.813 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.397 12.582 -11.989 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.965 14.087 -12.314 1.00 0.00 O ATOM 0 H GLU A 42 -11.590 9.213 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.945 11.873 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.957 11.998 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.342 10.522 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.084 11.544 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.210 12.892 -10.466 1.00 0.00 H new ATOM 374 N LYS A 43 -13.617 9.042 -9.707 1.00 0.00 N ATOM 375 CA LYS A 43 -14.606 8.104 -10.152 1.00 0.00 C ATOM 376 C LYS A 43 -14.236 6.803 -9.471 1.00 0.00 C ATOM 377 O LYS A 43 -13.131 6.305 -9.672 1.00 0.00 O ATOM 378 CB LYS A 43 -14.571 7.947 -11.674 1.00 0.00 C ATOM 379 CG LYS A 43 -15.487 8.913 -12.409 1.00 0.00 C ATOM 380 CD LYS A 43 -14.697 9.988 -13.140 1.00 0.00 C ATOM 381 CE LYS A 43 -14.586 9.688 -14.627 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.454 10.581 -15.441 1.00 0.00 N ATOM 0 H LYS A 43 -12.662 8.691 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.617 8.429 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.549 8.093 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.852 6.926 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.100 8.362 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.168 9.381 -11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.180 10.955 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.699 10.064 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.549 9.803 -14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.862 8.649 -14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.349 10.344 -16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.446 10.454 -15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.174 11.571 -15.288 1.00 0.00 H new ATOM 396 N GLY A 44 -15.121 6.278 -8.636 1.00 0.00 N ATOM 397 CA GLY A 44 -14.807 5.057 -7.915 1.00 0.00 C ATOM 398 C GLY A 44 -14.159 4.018 -8.802 1.00 0.00 C ATOM 399 O GLY A 44 -14.848 3.202 -9.414 1.00 0.00 O ATOM 0 H GLY A 44 -16.043 6.670 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.140 5.289 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.721 4.646 -7.485 1.00 0.00 H new ATOM 403 N VAL A 45 -12.832 4.071 -8.907 1.00 0.00 N ATOM 404 CA VAL A 45 -12.121 3.137 -9.777 1.00 0.00 C ATOM 405 C VAL A 45 -10.857 2.568 -9.137 1.00 0.00 C ATOM 406 O VAL A 45 -9.877 3.280 -8.955 1.00 0.00 O ATOM 407 CB VAL A 45 -11.726 3.837 -11.095 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.913 2.906 -11.986 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.963 4.334 -11.829 1.00 0.00 C ATOM 0 H VAL A 45 -12.238 4.736 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.807 2.310 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.103 4.696 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.648 3.424 -12.908 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.004 2.605 -11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.504 2.022 -12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.664 4.824 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.613 3.490 -12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.499 5.044 -11.199 1.00 0.00 H new ATOM 419 N THR A 46 -10.863 1.269 -8.849 1.00 0.00 N ATOM 420 CA THR A 46 -9.685 0.619 -8.284 1.00 0.00 C ATOM 421 C THR A 46 -8.662 0.403 -9.393 1.00 0.00 C ATOM 422 O THR A 46 -8.947 -0.265 -10.386 1.00 0.00 O ATOM 423 CB THR A 46 -10.054 -0.716 -7.631 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.351 -0.657 -7.066 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.094 -1.132 -6.533 1.00 0.00 C ATOM 0 H THR A 46 -11.662 0.652 -8.996 1.00 0.00 H new ATOM 0 HA THR A 46 -9.261 1.258 -7.510 1.00 0.00 H new ATOM 0 HB THR A 46 -10.006 -1.452 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.569 -1.520 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.413 -2.086 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.091 -1.235 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.087 -0.374 -5.749 1.00 0.00 H new ATOM 433 N LEU A 47 -7.485 0.999 -9.243 1.00 0.00 N ATOM 434 CA LEU A 47 -6.451 0.891 -10.265 1.00 0.00 C ATOM 435 C LEU A 47 -5.408 -0.167 -9.933 1.00 0.00 C ATOM 436 O LEU A 47 -5.233 -1.126 -10.684 1.00 0.00 O ATOM 437 CB LEU A 47 -5.767 2.240 -10.474 1.00 0.00 C ATOM 438 CG LEU A 47 -6.713 3.428 -10.577 1.00 0.00 C ATOM 439 CD1 LEU A 47 -7.040 3.984 -9.201 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.114 4.506 -11.465 1.00 0.00 C ATOM 0 H LEU A 47 -7.224 1.558 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.949 0.582 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.078 2.413 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.168 2.191 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.644 3.085 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.717 4.832 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.516 3.210 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.122 4.310 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.802 5.349 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.167 4.842 -11.042 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.942 4.102 -12.463 1.00 0.00 H new ATOM 452 N VAL A 48 -4.691 0.017 -8.829 1.00 0.00 N ATOM 453 CA VAL A 48 -3.648 -0.924 -8.456 1.00 0.00 C ATOM 454 C VAL A 48 -3.875 -1.521 -7.068 1.00 0.00 C ATOM 455 O VAL A 48 -4.420 -0.873 -6.175 1.00 0.00 O ATOM 456 CB VAL A 48 -2.264 -0.242 -8.522 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.290 -0.858 -7.530 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.710 -0.312 -9.937 1.00 0.00 C ATOM 0 H VAL A 48 -4.813 0.799 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.683 -1.745 -9.172 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.391 0.805 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.327 -0.353 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.681 -0.746 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.163 -1.917 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.734 0.172 -9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.608 -1.355 -10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.391 0.197 -10.620 1.00 0.00 H new ATOM 468 N SER A 49 -3.430 -2.764 -6.906 1.00 0.00 N ATOM 469 CA SER A 49 -3.550 -3.477 -5.641 1.00 0.00 C ATOM 470 C SER A 49 -2.402 -4.470 -5.489 1.00 0.00 C ATOM 471 O SER A 49 -2.109 -5.237 -6.407 1.00 0.00 O ATOM 472 CB SER A 49 -4.892 -4.205 -5.561 1.00 0.00 C ATOM 473 OG SER A 49 -4.844 -5.445 -6.244 1.00 0.00 O ATOM 0 H SER A 49 -2.978 -3.302 -7.645 1.00 0.00 H new ATOM 0 HA SER A 49 -3.501 -2.753 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.156 -4.372 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.674 -3.580 -5.992 1.00 0.00 H new ATOM 0 HG SER A 49 -5.714 -5.890 -6.175 1.00 0.00 H new ATOM 479 N ALA A 50 -1.746 -4.445 -4.335 1.00 0.00 N ATOM 480 CA ALA A 50 -0.619 -5.340 -4.081 1.00 0.00 C ATOM 481 C ALA A 50 -0.728 -6.013 -2.717 1.00 0.00 C ATOM 482 O ALA A 50 -1.520 -5.601 -1.870 1.00 0.00 O ATOM 483 CB ALA A 50 0.692 -4.575 -4.189 1.00 0.00 C ATOM 0 H ALA A 50 -1.972 -3.819 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.641 -6.124 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.525 -5.252 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.787 -4.156 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.704 -3.769 -3.456 1.00 0.00 H new ATOM 489 N SER A 51 0.078 -7.055 -2.514 1.00 0.00 N ATOM 490 CA SER A 51 0.078 -7.792 -1.252 1.00 0.00 C ATOM 491 C SER A 51 1.455 -8.384 -0.962 1.00 0.00 C ATOM 492 O SER A 51 2.027 -9.086 -1.793 1.00 0.00 O ATOM 493 CB SER A 51 -0.971 -8.907 -1.287 1.00 0.00 C ATOM 494 OG SER A 51 -1.750 -8.840 -2.469 1.00 0.00 O ATOM 0 H SER A 51 0.738 -7.407 -3.207 1.00 0.00 H new ATOM 0 HA SER A 51 -0.170 -7.092 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.477 -9.877 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.620 -8.827 -0.415 1.00 0.00 H new ATOM 0 HG SER A 51 -2.656 -8.541 -2.247 1.00 0.00 H new ATOM 500 N SER A 52 1.982 -8.097 0.222 1.00 0.00 N ATOM 501 CA SER A 52 3.292 -8.599 0.621 1.00 0.00 C ATOM 502 C SER A 52 3.308 -10.126 0.697 1.00 0.00 C ATOM 503 O SER A 52 4.009 -10.785 -0.071 1.00 0.00 O ATOM 504 CB SER A 52 3.689 -8.000 1.968 1.00 0.00 C ATOM 505 OG SER A 52 4.932 -7.327 1.878 1.00 0.00 O ATOM 0 H SER A 52 1.522 -7.518 0.924 1.00 0.00 H new ATOM 0 HA SER A 52 4.015 -8.297 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.919 -7.305 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.752 -8.790 2.717 1.00 0.00 H new ATOM 0 HG SER A 52 5.149 -6.923 2.744 1.00 0.00 H new ATOM 511 N LEU A 53 2.539 -10.681 1.633 1.00 0.00 N ATOM 512 CA LEU A 53 2.466 -12.132 1.822 1.00 0.00 C ATOM 513 C LEU A 53 2.365 -12.868 0.487 1.00 0.00 C ATOM 514 O LEU A 53 2.932 -13.947 0.314 1.00 0.00 O ATOM 515 CB LEU A 53 1.266 -12.487 2.704 1.00 0.00 C ATOM 516 CG LEU A 53 1.275 -13.906 3.276 1.00 0.00 C ATOM 517 CD1 LEU A 53 1.020 -14.927 2.179 1.00 0.00 C ATOM 518 CD2 LEU A 53 2.596 -14.190 3.975 1.00 0.00 C ATOM 0 H LEU A 53 1.955 -10.146 2.276 1.00 0.00 H new ATOM 0 HA LEU A 53 3.386 -12.450 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.222 -11.779 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.355 -12.353 2.121 1.00 0.00 H new ATOM 0 HG LEU A 53 0.473 -13.986 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.030 -15.930 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.048 -14.736 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.798 -14.848 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.585 -15.204 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.414 -14.091 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.737 -13.479 4.789 1.00 0.00 H new ATOM 530 N ALA A 54 1.638 -12.274 -0.450 1.00 0.00 N ATOM 531 CA ALA A 54 1.454 -12.860 -1.772 1.00 0.00 C ATOM 532 C ALA A 54 2.650 -12.580 -2.669 1.00 0.00 C ATOM 533 O ALA A 54 3.178 -13.471 -3.333 1.00 0.00 O ATOM 534 CB ALA A 54 0.203 -12.288 -2.413 1.00 0.00 C ATOM 0 H ALA A 54 1.163 -11.381 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 54 1.355 -13.939 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.067 -12.727 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.662 -12.518 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.304 -11.207 -2.507 1.00 0.00 H new ATOM 540 N LEU A 55 3.045 -11.319 -2.691 1.00 0.00 N ATOM 541 CA LEU A 55 4.155 -10.854 -3.508 1.00 0.00 C ATOM 542 C LEU A 55 5.420 -11.675 -3.275 1.00 0.00 C ATOM 543 O LEU A 55 6.200 -11.896 -4.202 1.00 0.00 O ATOM 544 CB LEU A 55 4.410 -9.380 -3.194 1.00 0.00 C ATOM 545 CG LEU A 55 3.530 -8.373 -3.935 1.00 0.00 C ATOM 546 CD1 LEU A 55 4.317 -7.650 -5.014 1.00 0.00 C ATOM 547 CD2 LEU A 55 2.312 -9.056 -4.520 1.00 0.00 C ATOM 0 H LEU A 55 2.603 -10.584 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 55 3.889 -10.976 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.277 -9.229 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.453 -9.156 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 55 3.190 -7.628 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.667 -6.940 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.151 -7.116 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.699 -8.375 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.699 -8.322 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.629 -9.829 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.729 -9.510 -3.718 1.00 0.00 H new ATOM 559 N LYS A 56 5.628 -12.125 -2.041 1.00 0.00 N ATOM 560 CA LYS A 56 6.813 -12.919 -1.723 1.00 0.00 C ATOM 561 C LYS A 56 6.852 -13.324 -0.252 1.00 0.00 C ATOM 562 O LYS A 56 7.276 -14.431 0.081 1.00 0.00 O ATOM 563 CB LYS A 56 8.083 -12.139 -2.074 1.00 0.00 C ATOM 564 CG LYS A 56 8.098 -10.722 -1.525 1.00 0.00 C ATOM 565 CD LYS A 56 9.320 -9.953 -2.001 1.00 0.00 C ATOM 566 CE LYS A 56 9.027 -9.174 -3.273 1.00 0.00 C ATOM 567 NZ LYS A 56 10.090 -8.174 -3.569 1.00 0.00 N ATOM 0 H LYS A 56 5.002 -11.957 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 56 6.762 -13.829 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.949 -12.678 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.188 -12.101 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.194 -10.200 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.088 -10.753 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.646 -9.267 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.141 -10.647 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.937 -9.866 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.068 -8.666 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.732 -7.480 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.361 -7.685 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.920 -8.658 -3.967 1.00 0.00 H new ATOM 581 N LEU A 57 6.424 -12.422 0.627 1.00 0.00 N ATOM 582 CA LEU A 57 6.430 -12.693 2.065 1.00 0.00 C ATOM 583 C LEU A 57 5.853 -14.072 2.379 1.00 0.00 C ATOM 584 O LEU A 57 5.062 -14.616 1.608 1.00 0.00 O ATOM 585 CB LEU A 57 5.649 -11.612 2.813 1.00 0.00 C ATOM 586 CG LEU A 57 6.507 -10.652 3.631 1.00 0.00 C ATOM 587 CD1 LEU A 57 5.692 -9.449 4.069 1.00 0.00 C ATOM 588 CD2 LEU A 57 7.103 -11.363 4.834 1.00 0.00 C ATOM 0 H LEU A 57 6.070 -11.500 0.372 1.00 0.00 H new ATOM 0 HA LEU A 57 7.467 -12.681 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.072 -11.035 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.934 -12.095 3.479 1.00 0.00 H new ATOM 0 HG LEU A 57 7.324 -10.300 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.321 -8.776 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.316 -8.925 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.853 -9.781 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.712 -10.663 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.301 -11.745 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.725 -12.192 4.496 1.00 0.00 H new ATOM 600 N LYS A 58 6.263 -14.634 3.514 1.00 0.00 N ATOM 601 CA LYS A 58 5.794 -15.952 3.927 1.00 0.00 C ATOM 602 C LYS A 58 5.227 -15.923 5.344 1.00 0.00 C ATOM 603 O LYS A 58 4.082 -16.316 5.570 1.00 0.00 O ATOM 604 CB LYS A 58 6.936 -16.967 3.845 1.00 0.00 C ATOM 605 CG LYS A 58 7.580 -17.051 2.470 1.00 0.00 C ATOM 606 CD LYS A 58 9.078 -17.293 2.569 1.00 0.00 C ATOM 607 CE LYS A 58 9.869 -16.038 2.236 1.00 0.00 C ATOM 608 NZ LYS A 58 11.221 -16.050 2.861 1.00 0.00 N ATOM 0 H LYS A 58 6.918 -14.197 4.162 1.00 0.00 H new ATOM 0 HA LYS A 58 4.995 -16.249 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.698 -16.703 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.556 -17.951 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.117 -17.856 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.395 -16.126 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.328 -17.625 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.364 -18.095 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.970 -15.949 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.319 -15.161 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.727 -15.177 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.125 -16.109 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.756 -16.872 2.516 1.00 0.00 H new ATOM 622 N GLY A 59 6.034 -15.466 6.299 1.00 0.00 N ATOM 623 CA GLY A 59 5.584 -15.410 7.679 1.00 0.00 C ATOM 624 C GLY A 59 5.961 -14.118 8.381 1.00 0.00 C ATOM 625 O GLY A 59 5.956 -14.051 9.610 1.00 0.00 O ATOM 0 H GLY A 59 6.986 -15.135 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.501 -15.527 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.009 -16.251 8.227 1.00 0.00 H new ATOM 629 N ASN A 60 6.284 -13.087 7.606 1.00 0.00 N ATOM 630 CA ASN A 60 6.656 -11.795 8.173 1.00 0.00 C ATOM 631 C ASN A 60 5.609 -10.738 7.836 1.00 0.00 C ATOM 632 O ASN A 60 4.523 -11.061 7.354 1.00 0.00 O ATOM 633 CB ASN A 60 8.032 -11.363 7.659 1.00 0.00 C ATOM 634 CG ASN A 60 9.088 -11.378 8.747 1.00 0.00 C ATOM 635 OD1 ASN A 60 9.773 -12.380 8.950 1.00 0.00 O ATOM 636 ND2 ASN A 60 9.224 -10.262 9.455 1.00 0.00 N ATOM 0 H ASN A 60 6.296 -13.121 6.587 1.00 0.00 H new ATOM 0 HA ASN A 60 6.705 -11.898 9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.339 -12.026 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.961 -10.359 7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.918 -10.213 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.635 -9.455 9.252 1.00 0.00 H new ATOM 643 N LYS A 61 5.935 -9.474 8.092 1.00 0.00 N ATOM 644 CA LYS A 61 5.010 -8.380 7.813 1.00 0.00 C ATOM 645 C LYS A 61 5.751 -7.062 7.603 1.00 0.00 C ATOM 646 O LYS A 61 5.527 -6.367 6.613 1.00 0.00 O ATOM 647 CB LYS A 61 3.998 -8.233 8.954 1.00 0.00 C ATOM 648 CG LYS A 61 4.606 -8.399 10.340 1.00 0.00 C ATOM 649 CD LYS A 61 3.921 -9.508 11.122 1.00 0.00 C ATOM 650 CE LYS A 61 2.796 -8.966 11.990 1.00 0.00 C ATOM 651 NZ LYS A 61 2.730 -9.656 13.308 1.00 0.00 N ATOM 0 H LYS A 61 6.828 -9.183 8.490 1.00 0.00 H new ATOM 0 HA LYS A 61 4.481 -8.622 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.530 -7.251 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.207 -8.972 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.669 -8.621 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.523 -7.461 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.523 -10.250 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.653 -10.018 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.941 -7.897 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.846 -9.086 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.951 -9.258 13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.566 -10.672 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.627 -9.520 13.816 1.00 0.00 H new ATOM 665 N THR A 62 6.629 -6.720 8.541 1.00 0.00 N ATOM 666 CA THR A 62 7.393 -5.480 8.454 1.00 0.00 C ATOM 667 C THR A 62 8.731 -5.694 7.748 1.00 0.00 C ATOM 668 O THR A 62 9.622 -4.849 7.826 1.00 0.00 O ATOM 669 CB THR A 62 7.632 -4.908 9.852 1.00 0.00 C ATOM 670 OG1 THR A 62 8.241 -5.873 10.691 1.00 0.00 O ATOM 671 CG2 THR A 62 6.363 -4.444 10.532 1.00 0.00 C ATOM 0 H THR A 62 6.829 -7.282 9.368 1.00 0.00 H new ATOM 0 HA THR A 62 6.809 -4.772 7.866 1.00 0.00 H new ATOM 0 HB THR A 62 8.283 -4.046 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.387 -5.488 11.580 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.603 -4.050 11.519 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.894 -3.663 9.933 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.677 -5.285 10.634 1.00 0.00 H new ATOM 679 N GLU A 63 8.868 -6.823 7.060 1.00 0.00 N ATOM 680 CA GLU A 63 10.101 -7.133 6.346 1.00 0.00 C ATOM 681 C GLU A 63 10.012 -6.695 4.888 1.00 0.00 C ATOM 682 O GLU A 63 10.837 -5.916 4.411 1.00 0.00 O ATOM 683 CB GLU A 63 10.397 -8.632 6.423 1.00 0.00 C ATOM 684 CG GLU A 63 11.822 -8.991 6.033 1.00 0.00 C ATOM 685 CD GLU A 63 12.268 -10.320 6.611 1.00 0.00 C ATOM 686 OE1 GLU A 63 11.509 -11.304 6.488 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.374 -10.375 7.187 1.00 0.00 O ATOM 0 H GLU A 63 8.143 -7.536 6.982 1.00 0.00 H new ATOM 0 HA GLU A 63 10.914 -6.584 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.209 -8.980 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.705 -9.165 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.899 -9.028 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.497 -8.206 6.374 1.00 0.00 H new ATOM 694 N VAL A 64 9.010 -7.210 4.182 1.00 0.00 N ATOM 695 CA VAL A 64 8.817 -6.882 2.775 1.00 0.00 C ATOM 696 C VAL A 64 7.839 -5.723 2.590 1.00 0.00 C ATOM 697 O VAL A 64 7.771 -5.142 1.511 1.00 0.00 O ATOM 698 CB VAL A 64 8.305 -8.106 1.984 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.991 -7.740 0.537 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.323 -9.235 2.042 1.00 0.00 C ATOM 0 H VAL A 64 8.319 -7.857 4.562 1.00 0.00 H new ATOM 0 HA VAL A 64 9.791 -6.582 2.389 1.00 0.00 H new ATOM 0 HB VAL A 64 7.379 -8.444 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.633 -8.623 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.222 -6.968 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.893 -7.367 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.949 -10.091 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.264 -8.899 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.486 -9.525 3.080 1.00 0.00 H new ATOM 710 N ALA A 65 7.076 -5.396 3.635 1.00 0.00 N ATOM 711 CA ALA A 65 6.093 -4.311 3.562 1.00 0.00 C ATOM 712 C ALA A 65 6.558 -3.182 2.645 1.00 0.00 C ATOM 713 O ALA A 65 5.783 -2.656 1.853 1.00 0.00 O ATOM 714 CB ALA A 65 5.786 -3.775 4.947 1.00 0.00 C ATOM 0 H ALA A 65 7.119 -5.865 4.540 1.00 0.00 H new ATOM 0 HA ALA A 65 5.181 -4.727 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.054 -2.970 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.382 -4.576 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.701 -3.393 5.400 1.00 0.00 H new ATOM 720 N ARG A 66 7.832 -2.832 2.730 1.00 0.00 N ATOM 721 CA ARG A 66 8.381 -1.788 1.874 1.00 0.00 C ATOM 722 C ARG A 66 8.368 -2.263 0.449 1.00 0.00 C ATOM 723 O ARG A 66 7.724 -1.677 -0.417 1.00 0.00 O ATOM 724 CB ARG A 66 9.801 -1.450 2.280 1.00 0.00 C ATOM 725 CG ARG A 66 10.008 0.030 2.444 1.00 0.00 C ATOM 726 CD ARG A 66 11.108 0.541 1.545 1.00 0.00 C ATOM 727 NE ARG A 66 12.391 -0.104 1.818 1.00 0.00 N ATOM 728 CZ ARG A 66 12.905 -1.091 1.083 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.246 -1.568 0.033 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.084 -1.606 1.403 1.00 0.00 N ATOM 0 H ARG A 66 8.501 -3.250 3.376 1.00 0.00 H new ATOM 0 HA ARG A 66 7.770 -0.891 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.039 -1.954 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.492 -1.831 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.080 0.555 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.254 0.250 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.832 0.371 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.210 1.618 1.676 1.00 0.00 H new ATOM 0 HE ARG A 66 12.927 0.222 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.337 -1.179 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.649 -2.323 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.595 -1.247 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.480 -2.361 0.843 1.00 0.00 H new ATOM 744 N GLN A 67 9.062 -3.358 0.228 1.00 0.00 N ATOM 745 CA GLN A 67 9.113 -3.971 -1.085 1.00 0.00 C ATOM 746 C GLN A 67 7.695 -4.126 -1.630 1.00 0.00 C ATOM 747 O GLN A 67 7.488 -4.177 -2.843 1.00 0.00 O ATOM 748 CB GLN A 67 9.812 -5.329 -1.014 1.00 0.00 C ATOM 749 CG GLN A 67 11.314 -5.253 -1.232 1.00 0.00 C ATOM 750 CD GLN A 67 12.082 -6.189 -0.319 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.642 -7.190 -0.767 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.113 -5.867 0.969 1.00 0.00 N ATOM 0 H GLN A 67 9.602 -3.845 0.943 1.00 0.00 H new ATOM 0 HA GLN A 67 9.685 -3.331 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.617 -5.778 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.378 -5.991 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.540 -5.497 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.651 -4.230 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.635 -5.028 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.615 -6.459 1.631 1.00 0.00 H new ATOM 761 N VAL A 68 6.708 -4.164 -0.726 1.00 0.00 N ATOM 762 CA VAL A 68 5.321 -4.271 -1.154 1.00 0.00 C ATOM 763 C VAL A 68 4.815 -2.901 -1.576 1.00 0.00 C ATOM 764 O VAL A 68 4.007 -2.780 -2.497 1.00 0.00 O ATOM 765 CB VAL A 68 4.382 -4.894 -0.082 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.752 -3.856 0.846 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.292 -5.688 -0.775 1.00 0.00 C ATOM 0 H VAL A 68 6.846 -4.123 0.284 1.00 0.00 H new ATOM 0 HA VAL A 68 5.301 -4.959 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 68 4.996 -5.541 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.109 -4.357 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.538 -3.315 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.159 -3.155 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.631 -6.127 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.718 -5.027 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.743 -6.481 -1.371 1.00 0.00 H new ATOM 777 N GLY A 69 5.326 -1.865 -0.913 1.00 0.00 N ATOM 778 CA GLY A 69 4.940 -0.519 -1.257 1.00 0.00 C ATOM 779 C GLY A 69 5.663 -0.061 -2.500 1.00 0.00 C ATOM 780 O GLY A 69 5.157 0.766 -3.241 1.00 0.00 O ATOM 0 H GLY A 69 5.997 -1.940 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.863 -0.474 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.167 0.153 -0.429 1.00 0.00 H new ATOM 784 N ARG A 70 6.860 -0.607 -2.724 1.00 0.00 N ATOM 785 CA ARG A 70 7.652 -0.252 -3.894 1.00 0.00 C ATOM 786 C ARG A 70 7.045 -0.893 -5.125 1.00 0.00 C ATOM 787 O ARG A 70 6.984 -0.277 -6.182 1.00 0.00 O ATOM 788 CB ARG A 70 9.120 -0.664 -3.711 1.00 0.00 C ATOM 789 CG ARG A 70 9.417 -2.111 -4.070 1.00 0.00 C ATOM 790 CD ARG A 70 9.851 -2.245 -5.520 1.00 0.00 C ATOM 791 NE ARG A 70 10.394 -3.570 -5.809 1.00 0.00 N ATOM 792 CZ ARG A 70 11.181 -3.839 -6.849 1.00 0.00 C ATOM 793 NH1 ARG A 70 11.518 -2.879 -7.702 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.633 -5.072 -7.037 1.00 0.00 N ATOM 0 H ARG A 70 7.298 -1.294 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 70 7.639 0.830 -4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.746 -0.015 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.405 -0.494 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.200 -2.496 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.530 -2.720 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.999 -2.052 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.603 -1.488 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 70 10.156 -4.334 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.174 -1.929 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.121 -3.091 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.378 -5.814 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.236 -5.278 -7.834 1.00 0.00 H new ATOM 808 N ALA A 71 6.553 -2.116 -4.972 1.00 0.00 N ATOM 809 CA ALA A 71 5.903 -2.801 -6.075 1.00 0.00 C ATOM 810 C ALA A 71 4.553 -2.149 -6.329 1.00 0.00 C ATOM 811 O ALA A 71 4.116 -2.009 -7.469 1.00 0.00 O ATOM 812 CB ALA A 71 5.733 -4.277 -5.769 1.00 0.00 C ATOM 0 H ALA A 71 6.592 -2.647 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 71 6.523 -2.720 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.244 -4.769 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.711 -4.729 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.122 -4.395 -4.874 1.00 0.00 H new ATOM 818 N LEU A 72 3.920 -1.716 -5.241 1.00 0.00 N ATOM 819 CA LEU A 72 2.639 -1.035 -5.310 1.00 0.00 C ATOM 820 C LEU A 72 2.838 0.307 -5.974 1.00 0.00 C ATOM 821 O LEU A 72 2.191 0.641 -6.960 1.00 0.00 O ATOM 822 CB LEU A 72 2.087 -0.827 -3.904 1.00 0.00 C ATOM 823 CG LEU A 72 0.775 -0.045 -3.826 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.404 -0.992 -3.660 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.826 0.960 -2.683 1.00 0.00 C ATOM 0 H LEU A 72 4.282 -1.829 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 72 1.934 -1.637 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.937 -1.803 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.838 -0.305 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 72 0.641 0.502 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.328 -0.417 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.448 -1.671 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.282 -1.568 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.114 1.509 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.982 0.433 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.647 1.658 -2.849 1.00 0.00 H new ATOM 837 N ALA A 73 3.770 1.059 -5.420 1.00 0.00 N ATOM 838 CA ALA A 73 4.111 2.370 -5.947 1.00 0.00 C ATOM 839 C ALA A 73 4.658 2.239 -7.349 1.00 0.00 C ATOM 840 O ALA A 73 4.534 3.151 -8.159 1.00 0.00 O ATOM 841 CB ALA A 73 5.108 3.088 -5.046 1.00 0.00 C ATOM 0 H ALA A 73 4.309 0.783 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 73 3.202 2.971 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.342 4.065 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.675 3.216 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.021 2.497 -4.970 1.00 0.00 H new ATOM 847 N GLU A 74 5.228 1.084 -7.641 1.00 0.00 N ATOM 848 CA GLU A 74 5.751 0.821 -8.959 1.00 0.00 C ATOM 849 C GLU A 74 4.579 0.540 -9.891 1.00 0.00 C ATOM 850 O GLU A 74 4.593 0.897 -11.069 1.00 0.00 O ATOM 851 CB GLU A 74 6.720 -0.350 -8.905 1.00 0.00 C ATOM 852 CG GLU A 74 8.179 0.075 -8.838 1.00 0.00 C ATOM 853 CD GLU A 74 8.431 1.217 -7.869 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.039 2.361 -8.181 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.024 0.966 -6.799 1.00 0.00 O ATOM 0 H GLU A 74 5.338 0.316 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 74 6.303 1.682 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.488 -0.964 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.572 -0.976 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.786 -0.781 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.509 0.373 -9.833 1.00 0.00 H new ATOM 862 N LYS A 75 3.544 -0.072 -9.316 1.00 0.00 N ATOM 863 CA LYS A 75 2.318 -0.382 -10.025 1.00 0.00 C ATOM 864 C LYS A 75 1.536 0.891 -10.280 1.00 0.00 C ATOM 865 O LYS A 75 1.409 1.352 -11.413 1.00 0.00 O ATOM 866 CB LYS A 75 1.475 -1.322 -9.172 1.00 0.00 C ATOM 867 CG LYS A 75 1.860 -2.759 -9.346 1.00 0.00 C ATOM 868 CD LYS A 75 0.716 -3.697 -8.994 1.00 0.00 C ATOM 869 CE LYS A 75 0.997 -5.120 -9.451 1.00 0.00 C ATOM 870 NZ LYS A 75 0.747 -6.110 -8.367 1.00 0.00 N ATOM 0 H LYS A 75 3.540 -0.365 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 75 2.560 -0.854 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.579 -1.046 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.424 -1.197 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.166 -2.931 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.721 -2.983 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.554 -3.686 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.204 -3.340 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.369 -5.356 -10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.033 -5.197 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.950 -7.068 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.364 -5.900 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.248 -6.054 -8.069 1.00 0.00 H new ATOM 884 N ALA A 76 1.026 1.451 -9.192 1.00 0.00 N ATOM 885 CA ALA A 76 0.254 2.695 -9.240 1.00 0.00 C ATOM 886 C ALA A 76 0.931 3.700 -10.158 1.00 0.00 C ATOM 887 O ALA A 76 0.286 4.381 -10.957 1.00 0.00 O ATOM 888 CB ALA A 76 0.108 3.294 -7.848 1.00 0.00 C ATOM 0 H ALA A 76 1.132 1.063 -8.255 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.738 2.463 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.469 4.217 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.407 2.586 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.095 3.509 -7.439 1.00 0.00 H new ATOM 894 N LEU A 77 2.248 3.769 -10.039 1.00 0.00 N ATOM 895 CA LEU A 77 3.041 4.663 -10.858 1.00 0.00 C ATOM 896 C LEU A 77 2.813 4.395 -12.339 1.00 0.00 C ATOM 897 O LEU A 77 2.729 5.319 -13.146 1.00 0.00 O ATOM 898 CB LEU A 77 4.519 4.498 -10.530 1.00 0.00 C ATOM 899 CG LEU A 77 5.078 5.449 -9.474 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.545 5.139 -9.220 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.902 6.895 -9.914 1.00 0.00 C ATOM 0 H LEU A 77 2.790 3.212 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 77 2.731 5.685 -10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.685 3.475 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.092 4.628 -11.448 1.00 0.00 H new ATOM 0 HG LEU A 77 4.526 5.308 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.936 5.822 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.644 4.113 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.108 5.260 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.306 7.559 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.432 7.057 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.842 7.106 -10.055 1.00 0.00 H new ATOM 913 N ALA A 78 2.714 3.118 -12.683 1.00 0.00 N ATOM 914 CA ALA A 78 2.493 2.707 -14.061 1.00 0.00 C ATOM 915 C ALA A 78 1.277 3.414 -14.655 1.00 0.00 C ATOM 916 O ALA A 78 1.181 3.590 -15.869 1.00 0.00 O ATOM 917 CB ALA A 78 2.339 1.201 -14.123 1.00 0.00 C ATOM 0 H ALA A 78 2.784 2.345 -12.021 1.00 0.00 H new ATOM 0 HA ALA A 78 3.357 2.995 -14.660 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.173 0.894 -15.156 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.244 0.727 -13.744 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.488 0.897 -13.513 1.00 0.00 H new ATOM 923 N LEU A 79 0.371 3.850 -13.784 1.00 0.00 N ATOM 924 CA LEU A 79 -0.815 4.577 -14.210 1.00 0.00 C ATOM 925 C LEU A 79 -0.494 6.064 -14.241 1.00 0.00 C ATOM 926 O LEU A 79 -1.092 6.835 -14.992 1.00 0.00 O ATOM 927 CB LEU A 79 -1.994 4.351 -13.249 1.00 0.00 C ATOM 928 CG LEU A 79 -1.912 3.139 -12.315 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.473 3.501 -10.949 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.668 1.958 -12.907 1.00 0.00 C ATOM 0 H LEU A 79 0.439 3.710 -12.776 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.100 4.213 -15.197 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.105 5.244 -12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.902 4.258 -13.844 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.867 2.851 -12.201 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.412 2.635 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.895 4.322 -10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.514 3.806 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.599 1.106 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.715 2.228 -13.045 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.232 1.693 -13.870 1.00 0.00 H new ATOM 942 N GLY A 80 0.449 6.448 -13.390 1.00 0.00 N ATOM 943 CA GLY A 80 0.855 7.827 -13.279 1.00 0.00 C ATOM 944 C GLY A 80 0.374 8.436 -11.980 1.00 0.00 C ATOM 945 O GLY A 80 0.306 9.658 -11.843 1.00 0.00 O ATOM 0 H GLY A 80 0.945 5.812 -12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.941 7.895 -13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.456 8.395 -14.120 1.00 0.00 H new ATOM 949 N ILE A 81 0.035 7.574 -11.021 1.00 0.00 N ATOM 950 CA ILE A 81 -0.445 8.025 -9.727 1.00 0.00 C ATOM 951 C ILE A 81 0.705 8.547 -8.889 1.00 0.00 C ATOM 952 O ILE A 81 1.504 7.785 -8.345 1.00 0.00 O ATOM 953 CB ILE A 81 -1.209 6.896 -8.988 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.607 6.687 -9.604 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.334 7.199 -7.498 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.791 7.298 -10.981 1.00 0.00 C ATOM 0 H ILE A 81 0.086 6.560 -11.122 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.147 8.842 -9.890 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.633 5.978 -9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.805 5.617 -9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.353 7.110 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.874 6.390 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.340 7.290 -7.061 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.878 8.134 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.803 7.101 -11.334 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.629 8.374 -10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.073 6.858 -11.673 1.00 0.00 H new ATOM 968 N LYS A 82 0.784 9.867 -8.819 1.00 0.00 N ATOM 969 CA LYS A 82 1.822 10.540 -8.092 1.00 0.00 C ATOM 970 C LYS A 82 1.442 10.750 -6.632 1.00 0.00 C ATOM 971 O LYS A 82 2.128 10.281 -5.728 1.00 0.00 O ATOM 972 CB LYS A 82 2.086 11.877 -8.760 1.00 0.00 C ATOM 973 CG LYS A 82 3.379 12.481 -8.316 1.00 0.00 C ATOM 974 CD LYS A 82 3.971 13.400 -9.372 1.00 0.00 C ATOM 975 CE LYS A 82 5.266 14.040 -8.895 1.00 0.00 C ATOM 976 NZ LYS A 82 5.186 15.526 -8.900 1.00 0.00 N ATOM 0 H LYS A 82 0.120 10.495 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 82 2.720 9.922 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.101 11.745 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.269 12.563 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.220 13.042 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.090 11.687 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.159 12.834 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.251 14.179 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.493 13.692 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.087 13.719 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.088 15.923 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.995 15.860 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.419 15.834 -8.269 1.00 0.00 H new ATOM 990 N GLN A 83 0.346 11.461 -6.413 1.00 0.00 N ATOM 991 CA GLN A 83 -0.131 11.738 -5.066 1.00 0.00 C ATOM 992 C GLN A 83 -1.375 10.917 -4.765 1.00 0.00 C ATOM 993 O GLN A 83 -2.165 10.624 -5.663 1.00 0.00 O ATOM 994 CB GLN A 83 -0.434 13.230 -4.905 1.00 0.00 C ATOM 995 CG GLN A 83 0.455 13.918 -3.886 1.00 0.00 C ATOM 996 CD GLN A 83 -0.323 14.484 -2.714 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.348 15.141 -2.894 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.162 14.230 -1.504 1.00 0.00 N ATOM 0 H GLN A 83 -0.232 11.858 -7.154 1.00 0.00 H new ATOM 0 HA GLN A 83 0.651 11.460 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.317 13.723 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.476 13.352 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.194 13.207 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.004 14.723 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.015 13.681 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.319 14.584 -0.677 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.551 10.541 -3.504 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.710 9.749 -3.119 1.00 0.00 C ATOM 1009 C VAL A 84 -3.353 10.260 -1.836 1.00 0.00 C ATOM 1010 O VAL A 84 -2.720 10.940 -1.029 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.369 8.251 -2.930 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.400 7.378 -3.616 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.985 7.918 -3.449 1.00 0.00 C ATOM 0 H VAL A 84 -0.914 10.769 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.412 9.853 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.384 8.050 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.142 6.329 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.384 7.572 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.417 7.604 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.785 6.857 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.930 8.149 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.243 8.508 -2.911 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.617 9.898 -1.658 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.378 10.278 -0.477 1.00 0.00 C ATOM 1025 C ALA A 85 -5.433 9.110 0.498 1.00 0.00 C ATOM 1026 O ALA A 85 -6.193 8.162 0.300 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.786 10.708 -0.869 1.00 0.00 C ATOM 0 H ALA A 85 -5.142 9.334 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.884 11.121 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.343 10.989 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.731 11.561 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.293 9.882 -1.367 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.613 9.168 1.538 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.564 8.094 2.520 1.00 0.00 C ATOM 1035 C PHE A 86 -5.689 8.215 3.542 1.00 0.00 C ATOM 1036 O PHE A 86 -5.737 9.162 4.327 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.210 8.079 3.229 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.669 6.695 3.437 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.238 5.933 2.360 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.600 6.151 4.708 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.747 4.656 2.553 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.113 4.873 4.905 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.686 4.125 3.827 1.00 0.00 C ATOM 0 H PHE A 86 -3.976 9.943 1.723 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.697 7.154 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.495 8.658 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.307 8.574 4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.287 6.342 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.931 6.732 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.411 4.073 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.067 4.460 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.305 3.126 3.979 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.586 7.235 3.524 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.716 7.201 4.444 1.00 0.00 C ATOM 1055 C ASP A 87 -8.063 5.757 4.796 1.00 0.00 C ATOM 1056 O ASP A 87 -9.191 5.307 4.593 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.927 7.906 3.827 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.125 9.304 4.380 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.685 9.430 5.489 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.720 10.273 3.703 1.00 0.00 O ATOM 0 H ASP A 87 -6.551 6.448 2.876 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.440 7.727 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.801 7.960 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.823 7.314 4.014 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.075 5.035 5.319 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.252 3.634 5.699 1.00 0.00 C ATOM 1067 C ARG A 88 -8.562 3.421 6.455 1.00 0.00 C ATOM 1068 O ARG A 88 -9.259 2.429 6.241 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.073 3.166 6.555 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.569 4.223 7.529 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.285 4.866 7.034 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.043 6.163 7.662 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.524 6.312 8.878 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.193 5.250 9.602 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.334 7.528 9.373 1.00 0.00 N ATOM 0 H ARG A 88 -6.138 5.399 5.490 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.291 3.043 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.371 2.280 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.255 2.868 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.333 4.989 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.397 3.768 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.445 4.202 7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.336 4.991 5.952 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.286 7.003 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.336 4.312 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.796 5.372 10.533 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.586 8.348 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.936 7.643 10.305 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.894 4.361 7.335 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.123 4.257 8.103 1.00 0.00 C ATOM 1091 C GLY A 89 -9.872 3.982 9.576 1.00 0.00 C ATOM 1092 O GLY A 89 -9.357 4.845 10.287 1.00 0.00 O ATOM 0 H GLY A 89 -8.335 5.192 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.689 5.183 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.739 3.459 7.688 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.232 2.783 10.071 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.044 2.414 11.471 1.00 0.00 C ATOM 1098 C PRO A 90 -8.683 1.776 11.734 1.00 0.00 C ATOM 1099 O PRO A 90 -8.533 0.968 12.650 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.159 1.398 11.687 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.293 0.702 10.372 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.862 1.688 9.308 1.00 0.00 C ATOM 0 HA PRO A 90 -10.077 3.275 12.138 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.908 0.697 12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.090 1.886 11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.672 -0.193 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.322 0.381 10.208 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.162 1.236 8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.712 2.044 8.726 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.694 2.141 10.924 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.349 1.600 11.070 1.00 0.00 C ATOM 1112 C TYR A 91 -5.467 2.545 11.877 1.00 0.00 C ATOM 1113 O TYR A 91 -5.798 3.716 12.062 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.726 1.358 9.694 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.182 0.079 9.028 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.433 -0.466 9.296 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.359 -0.580 8.126 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.847 -1.633 8.684 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.767 -1.746 7.509 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.011 -2.269 7.792 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.419 -3.432 7.180 1.00 0.00 O ATOM 0 H TYR A 91 -7.800 2.809 10.160 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.421 0.653 11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.967 2.200 9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.641 1.335 9.797 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.091 0.031 9.993 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.383 -0.174 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.821 -2.045 8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.115 -2.246 6.808 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.230 -3.259 6.657 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.341 2.028 12.352 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.406 2.823 13.136 1.00 0.00 C ATOM 1133 C LYS A 92 -1.983 2.644 12.622 1.00 0.00 C ATOM 1134 O LYS A 92 -1.633 1.588 12.093 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.481 2.430 14.613 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.315 0.938 14.853 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.573 0.663 16.151 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.085 0.939 16.011 1.00 0.00 C ATOM 1139 NZ LYS A 92 -0.274 0.087 16.925 1.00 0.00 N ATOM 0 H LYS A 92 -4.053 1.060 12.207 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.683 3.872 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.708 2.967 15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.441 2.750 15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.295 0.462 14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.771 0.492 14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.986 1.284 16.946 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.725 -0.375 16.446 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.778 0.761 14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.889 1.990 16.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.735 0.305 16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.549 0.275 17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.441 -0.916 16.705 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.165 3.679 12.782 1.00 0.00 N ATOM 1154 CA TYR A 93 0.224 3.635 12.336 1.00 0.00 C ATOM 1155 C TYR A 93 0.912 2.383 12.875 1.00 0.00 C ATOM 1156 O TYR A 93 1.389 2.365 14.010 1.00 0.00 O ATOM 1157 CB TYR A 93 0.960 4.895 12.808 1.00 0.00 C ATOM 1158 CG TYR A 93 2.077 5.356 11.892 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.010 5.165 10.515 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.197 5.997 12.409 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.027 5.598 9.683 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.218 6.431 11.584 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.128 6.230 10.222 1.00 0.00 C ATOM 1164 OH TYR A 93 5.141 6.662 9.398 1.00 0.00 O ATOM 0 H TYR A 93 -1.440 4.559 13.218 1.00 0.00 H new ATOM 0 HA TYR A 93 0.248 3.599 11.247 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.237 5.704 12.913 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.375 4.708 13.799 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.150 4.670 10.089 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.271 6.159 13.474 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.959 5.442 8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.082 6.925 12.004 1.00 0.00 H new ATOM 0 HH TYR A 93 5.841 7.087 9.936 1.00 0.00 H new ATOM 1174 N HIS A 94 0.944 1.331 12.060 1.00 0.00 N ATOM 1175 CA HIS A 94 1.556 0.068 12.462 1.00 0.00 C ATOM 1176 C HIS A 94 2.774 -0.255 11.604 1.00 0.00 C ATOM 1177 O HIS A 94 3.022 0.397 10.590 1.00 0.00 O ATOM 1178 CB HIS A 94 0.536 -1.067 12.361 1.00 0.00 C ATOM 1179 CG HIS A 94 0.853 -2.237 13.239 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.997 -3.522 12.759 1.00 0.00 N ATOM 1181 CD2 HIS A 94 1.057 -2.312 14.576 1.00 0.00 C ATOM 1182 CE1 HIS A 94 1.273 -4.336 13.762 1.00 0.00 C ATOM 1183 NE2 HIS A 94 1.316 -3.627 14.875 1.00 0.00 N ATOM 0 H HIS A 94 0.553 1.329 11.118 1.00 0.00 H new ATOM 0 HA HIS A 94 1.885 0.170 13.496 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.450 -0.683 12.623 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.481 -1.404 11.326 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.022 -1.491 15.276 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.436 -5.401 13.685 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.510 -3.996 15.806 1.00 0.00 H new ATOM 1192 N GLY A 95 3.531 -1.269 12.021 1.00 0.00 N ATOM 1193 CA GLY A 95 4.720 -1.670 11.287 1.00 0.00 C ATOM 1194 C GLY A 95 4.493 -1.727 9.788 1.00 0.00 C ATOM 1195 O GLY A 95 5.366 -1.351 9.006 1.00 0.00 O ATOM 0 H GLY A 95 3.340 -1.821 12.857 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.527 -0.970 11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.046 -2.649 11.638 1.00 0.00 H new ATOM 1199 N ARG A 96 3.314 -2.191 9.389 1.00 0.00 N ATOM 1200 CA ARG A 96 2.973 -2.285 7.976 1.00 0.00 C ATOM 1201 C ARG A 96 2.966 -0.898 7.341 1.00 0.00 C ATOM 1202 O ARG A 96 3.852 -0.568 6.555 1.00 0.00 O ATOM 1203 CB ARG A 96 1.615 -2.964 7.805 1.00 0.00 C ATOM 1204 CG ARG A 96 1.526 -4.317 8.493 1.00 0.00 C ATOM 1205 CD ARG A 96 1.644 -5.460 7.499 1.00 0.00 C ATOM 1206 NE ARG A 96 1.025 -6.686 7.999 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.322 -7.904 7.552 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.225 -8.066 6.592 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.713 -8.964 8.065 1.00 0.00 N ATOM 0 H ARG A 96 2.580 -2.507 10.023 1.00 0.00 H new ATOM 0 HA ARG A 96 3.726 -2.890 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.838 -2.311 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.412 -3.091 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.317 -4.399 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.578 -4.393 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.173 -5.173 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.696 -5.647 7.284 1.00 0.00 H new ATOM 0 HE ARG A 96 0.323 -6.603 8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.696 -7.254 6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.448 -9.002 6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.017 -8.846 8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.940 -9.898 7.723 1.00 0.00 H new ATOM 1223 N VAL A 97 1.969 -0.083 7.698 1.00 0.00 N ATOM 1224 CA VAL A 97 1.855 1.282 7.178 1.00 0.00 C ATOM 1225 C VAL A 97 3.221 1.928 7.051 1.00 0.00 C ATOM 1226 O VAL A 97 3.508 2.612 6.081 1.00 0.00 O ATOM 1227 CB VAL A 97 0.999 2.173 8.098 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.815 3.556 7.490 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.340 1.526 8.377 1.00 0.00 C ATOM 0 H VAL A 97 1.227 -0.346 8.347 1.00 0.00 H new ATOM 0 HA VAL A 97 1.379 1.200 6.201 1.00 0.00 H new ATOM 0 HB VAL A 97 1.524 2.287 9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.208 4.168 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.789 4.026 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.316 3.466 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.928 2.173 9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.874 1.375 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.185 0.564 8.865 1.00 0.00 H new ATOM 1239 N LYS A 98 4.056 1.710 8.049 1.00 0.00 N ATOM 1240 CA LYS A 98 5.390 2.275 8.054 1.00 0.00 C ATOM 1241 C LYS A 98 6.183 1.822 6.833 1.00 0.00 C ATOM 1242 O LYS A 98 6.376 2.583 5.886 1.00 0.00 O ATOM 1243 CB LYS A 98 6.119 1.882 9.334 1.00 0.00 C ATOM 1244 CG LYS A 98 6.511 3.074 10.183 1.00 0.00 C ATOM 1245 CD LYS A 98 5.925 2.987 11.579 1.00 0.00 C ATOM 1246 CE LYS A 98 4.410 3.017 11.537 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.811 2.684 12.859 1.00 0.00 N ATOM 0 H LYS A 98 3.833 1.144 8.868 1.00 0.00 H new ATOM 0 HA LYS A 98 5.301 3.361 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.481 1.220 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.014 1.316 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.597 3.133 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.170 3.991 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.261 2.069 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.292 3.817 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.075 4.006 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.054 2.309 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.002 3.311 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.488 1.695 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.524 2.812 13.605 1.00 0.00 H new ATOM 1261 N ALA A 99 6.647 0.579 6.873 1.00 0.00 N ATOM 1262 CA ALA A 99 7.432 0.014 5.784 1.00 0.00 C ATOM 1263 C ALA A 99 6.670 0.025 4.461 1.00 0.00 C ATOM 1264 O ALA A 99 7.257 0.251 3.407 1.00 0.00 O ATOM 1265 CB ALA A 99 7.862 -1.403 6.130 1.00 0.00 C ATOM 0 H ALA A 99 6.492 -0.060 7.653 1.00 0.00 H new ATOM 0 HA ALA A 99 8.314 0.641 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.448 -1.816 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.467 -1.389 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.979 -2.022 6.293 1.00 0.00 H new ATOM 1271 N LEU A 100 5.366 -0.219 4.517 1.00 0.00 N ATOM 1272 CA LEU A 100 4.544 -0.243 3.324 1.00 0.00 C ATOM 1273 C LEU A 100 4.432 1.139 2.713 1.00 0.00 C ATOM 1274 O LEU A 100 4.587 1.317 1.505 1.00 0.00 O ATOM 1275 CB LEU A 100 3.147 -0.762 3.665 1.00 0.00 C ATOM 1276 CG LEU A 100 2.095 -0.497 2.593 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.127 -1.662 2.489 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.347 0.803 2.870 1.00 0.00 C ATOM 0 H LEU A 100 4.858 -0.403 5.382 1.00 0.00 H new ATOM 0 HA LEU A 100 5.017 -0.906 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.205 -1.836 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.820 -0.303 4.598 1.00 0.00 H new ATOM 0 HG LEU A 100 2.608 -0.393 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.385 -1.451 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.674 -2.568 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.625 -1.805 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.603 0.968 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.850 0.738 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.053 1.634 2.880 1.00 0.00 H new ATOM 1290 N ALA A 101 4.137 2.108 3.557 1.00 0.00 N ATOM 1291 CA ALA A 101 3.973 3.476 3.104 1.00 0.00 C ATOM 1292 C ALA A 101 5.259 4.023 2.506 1.00 0.00 C ATOM 1293 O ALA A 101 5.209 4.815 1.568 1.00 0.00 O ATOM 1294 CB ALA A 101 3.455 4.352 4.224 1.00 0.00 C ATOM 0 H ALA A 101 4.006 1.974 4.560 1.00 0.00 H new ATOM 0 HA ALA A 101 3.228 3.481 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.339 5.374 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.490 3.976 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.162 4.338 5.053 1.00 0.00 H new ATOM 1300 N GLU A 102 6.419 3.577 3.000 1.00 0.00 N ATOM 1301 CA GLU A 102 7.669 4.040 2.408 1.00 0.00 C ATOM 1302 C GLU A 102 7.768 3.442 1.022 1.00 0.00 C ATOM 1303 O GLU A 102 8.073 4.133 0.070 1.00 0.00 O ATOM 1304 CB GLU A 102 8.929 3.694 3.220 1.00 0.00 C ATOM 1305 CG GLU A 102 8.684 2.919 4.508 1.00 0.00 C ATOM 1306 CD GLU A 102 9.963 2.354 5.095 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.946 2.203 4.340 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.981 2.064 6.310 1.00 0.00 O ATOM 0 H GLU A 102 6.515 2.923 3.777 1.00 0.00 H new ATOM 0 HA GLU A 102 7.637 5.129 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.600 3.112 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.448 4.621 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.211 3.575 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.987 2.105 4.312 1.00 0.00 H new ATOM 1315 N GLY A 103 7.446 2.156 0.908 1.00 0.00 N ATOM 1316 CA GLY A 103 7.454 1.509 -0.391 1.00 0.00 C ATOM 1317 C GLY A 103 6.671 2.320 -1.390 1.00 0.00 C ATOM 1318 O GLY A 103 7.171 2.722 -2.438 1.00 0.00 O ATOM 0 H GLY A 103 7.181 1.554 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.481 1.388 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.025 0.510 -0.309 1.00 0.00 H new ATOM 1322 N ALA A 104 5.410 2.534 -1.033 1.00 0.00 N ATOM 1323 CA ALA A 104 4.478 3.279 -1.854 1.00 0.00 C ATOM 1324 C ALA A 104 4.932 4.722 -2.031 1.00 0.00 C ATOM 1325 O ALA A 104 4.690 5.341 -3.064 1.00 0.00 O ATOM 1326 CB ALA A 104 3.093 3.223 -1.237 1.00 0.00 C ATOM 0 H ALA A 104 5.008 2.191 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 104 4.445 2.822 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.395 3.785 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.766 2.185 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.122 3.659 -0.238 1.00 0.00 H new ATOM 1332 N ARG A 105 5.607 5.256 -1.018 1.00 0.00 N ATOM 1333 CA ARG A 105 6.105 6.626 -1.069 1.00 0.00 C ATOM 1334 C ARG A 105 7.511 6.671 -1.661 1.00 0.00 C ATOM 1335 O ARG A 105 7.928 7.680 -2.228 1.00 0.00 O ATOM 1336 CB ARG A 105 6.100 7.253 0.327 1.00 0.00 C ATOM 1337 CG ARG A 105 4.704 7.561 0.848 1.00 0.00 C ATOM 1338 CD ARG A 105 4.577 9.010 1.294 1.00 0.00 C ATOM 1339 NE ARG A 105 5.312 9.268 2.530 1.00 0.00 N ATOM 1340 CZ ARG A 105 4.953 8.791 3.719 1.00 0.00 C ATOM 1341 NH1 ARG A 105 3.870 8.033 3.839 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.679 9.072 4.793 1.00 0.00 N ATOM 0 H ARG A 105 5.822 4.761 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 105 5.441 7.202 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.598 6.577 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.683 8.174 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.971 7.355 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.474 6.901 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.950 9.666 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.525 9.254 1.440 1.00 0.00 H new ATOM 0 HE ARG A 105 6.150 9.848 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.308 7.813 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.600 7.670 4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.512 9.654 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.404 8.706 5.705 1.00 0.00 H new ATOM 1356 N GLU A 106 8.228 5.563 -1.530 1.00 0.00 N ATOM 1357 CA GLU A 106 9.577 5.448 -2.050 1.00 0.00 C ATOM 1358 C GLU A 106 9.504 5.103 -3.535 1.00 0.00 C ATOM 1359 O GLU A 106 10.339 5.528 -4.333 1.00 0.00 O ATOM 1360 CB GLU A 106 10.346 4.360 -1.274 1.00 0.00 C ATOM 1361 CG GLU A 106 10.257 2.969 -1.886 1.00 0.00 C ATOM 1362 CD GLU A 106 11.184 1.975 -1.215 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.926 2.380 -0.296 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.169 0.790 -1.611 1.00 0.00 O ATOM 0 H GLU A 106 7.889 4.723 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 106 10.108 6.392 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.395 4.649 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.964 4.320 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.231 2.609 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.500 3.027 -2.947 1.00 0.00 H new ATOM 1371 N GLY A 107 8.478 4.326 -3.887 1.00 0.00 N ATOM 1372 CA GLY A 107 8.279 3.925 -5.264 1.00 0.00 C ATOM 1373 C GLY A 107 7.827 5.088 -6.137 1.00 0.00 C ATOM 1374 O GLY A 107 8.384 5.303 -7.214 1.00 0.00 O ATOM 0 H GLY A 107 7.780 3.968 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.208 3.514 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.535 3.129 -5.306 1.00 0.00 H new ATOM 1378 N GLY A 108 6.830 5.858 -5.675 1.00 0.00 N ATOM 1379 CA GLY A 108 6.369 6.997 -6.460 1.00 0.00 C ATOM 1380 C GLY A 108 5.182 7.749 -5.864 1.00 0.00 C ATOM 1381 O GLY A 108 5.022 8.944 -6.117 1.00 0.00 O ATOM 0 H GLY A 108 6.345 5.715 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.198 7.694 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.096 6.647 -7.456 1.00 0.00 H new ATOM 1385 N LEU A 109 4.328 7.060 -5.114 1.00 0.00 N ATOM 1386 CA LEU A 109 3.140 7.681 -4.539 1.00 0.00 C ATOM 1387 C LEU A 109 3.456 8.652 -3.411 1.00 0.00 C ATOM 1388 O LEU A 109 4.391 8.460 -2.640 1.00 0.00 O ATOM 1389 CB LEU A 109 2.189 6.601 -4.039 1.00 0.00 C ATOM 1390 CG LEU A 109 1.461 5.870 -5.152 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.455 5.225 -6.094 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.495 4.843 -4.585 1.00 0.00 C ATOM 0 H LEU A 109 4.437 6.071 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 109 2.673 8.264 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.752 5.878 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.455 7.055 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 109 0.876 6.595 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.919 4.704 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.093 5.993 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.069 4.513 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.014 4.333 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.046 4.115 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.241 5.344 -3.956 1.00 0.00 H new ATOM 1404 N GLU A 110 2.644 9.697 -3.329 1.00 0.00 N ATOM 1405 CA GLU A 110 2.790 10.719 -2.302 1.00 0.00 C ATOM 1406 C GLU A 110 1.467 10.933 -1.572 1.00 0.00 C ATOM 1407 O GLU A 110 0.634 11.732 -1.997 1.00 0.00 O ATOM 1408 CB GLU A 110 3.267 12.032 -2.923 1.00 0.00 C ATOM 1409 CG GLU A 110 4.781 12.167 -2.969 1.00 0.00 C ATOM 1410 CD GLU A 110 5.330 12.089 -4.381 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.667 11.475 -5.243 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.423 12.642 -4.624 1.00 0.00 O ATOM 0 H GLU A 110 1.868 9.860 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 110 3.535 10.381 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.872 12.110 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.853 12.865 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.071 13.118 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.231 11.380 -2.364 1.00 0.00 H new ATOM 1419 N PHE A 111 1.274 10.205 -0.479 1.00 0.00 N ATOM 1420 CA PHE A 111 0.044 10.306 0.301 1.00 0.00 C ATOM 1421 C PHE A 111 0.349 10.648 1.756 1.00 0.00 C ATOM 1422 O PHE A 111 -0.588 10.605 2.582 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.727 8.988 0.221 1.00 0.00 C ATOM 1424 CG PHE A 111 0.162 7.787 0.328 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.895 7.362 -0.763 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.281 7.098 1.521 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.729 6.268 -0.669 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.115 6.004 1.625 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.841 5.588 0.528 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.521 10.955 2.058 1.00 0.00 O ATOM 0 H PHE A 111 1.953 9.538 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.566 11.108 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.469 8.957 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.272 8.948 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.814 7.893 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.286 7.420 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.294 5.943 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.199 5.475 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.496 4.732 0.605 1.00 0.00 H new TER 1440 PHE A 111