USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 877 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 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 65 CYS SG : rot 180:sc= -0.21 USER MOD Set 2.1: A 5 MET CE :methyl -131:sc= -1.35 (180deg=-2.13!) USER MOD Set 2.2: A 90 SER OG : rot 87:sc= -0.969 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.09! C(o=-3.1!,f=-7!) USER MOD Single : A 11 CYS SG : rot -69:sc= 0.536 USER MOD Single : A 16 ASN : amide:sc= 0.0422 X(o=0.042,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 51:sc= 0.34 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.113) USER MOD Single : A 33 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.13) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= -0.61 (180deg=-2.89!) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.218 (180deg=-1.18!) USER MOD Single : A 45 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.021) USER MOD Single : A 56 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.027) USER MOD Single : A 58 CYS SG : rot 170:sc= -0.439 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.457 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0749) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 109 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-0.91) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.303 -1.620 -0.030 1.00 45.44 N ATOM 19 CA ALA A 2 4.283 -2.625 -0.422 1.00 44.14 C ATOM 20 C ALA A 2 4.129 -3.895 0.407 1.00 73.10 C ATOM 21 O ALA A 2 4.292 -3.875 1.627 1.00 60.01 O ATOM 22 CB ALA A 2 5.693 -2.070 -0.283 1.00 43.14 C ATOM 0 HA ALA A 2 4.106 -2.881 -1.467 1.00 44.14 H new ATOM 0 HB1 ALA A 2 6.415 -2.831 -0.579 1.00 43.14 H new ATOM 0 HB2 ALA A 2 5.805 -1.195 -0.924 1.00 43.14 H new ATOM 0 HB3 ALA A 2 5.871 -1.785 0.754 1.00 43.14 H new ATOM 28 N SER A 3 3.812 -4.999 -0.263 1.00 2.22 N ATOM 29 CA SER A 3 3.631 -6.278 0.414 1.00 52.24 C ATOM 30 C SER A 3 2.331 -6.290 1.213 1.00 63.21 C ATOM 31 O SER A 3 1.384 -6.995 0.868 1.00 20.41 O ATOM 32 CB SER A 3 4.815 -6.561 1.340 1.00 61.53 C ATOM 33 OG SER A 3 4.938 -7.949 1.600 1.00 63.04 O ATOM 0 H SER A 3 3.675 -5.033 -1.273 1.00 2.22 H new ATOM 0 HA SER A 3 3.578 -7.059 -0.345 1.00 52.24 H new ATOM 0 HB2 SER A 3 5.733 -6.190 0.885 1.00 61.53 H new ATOM 0 HB3 SER A 3 4.684 -6.022 2.278 1.00 61.53 H new ATOM 0 HG SER A 3 5.703 -8.104 2.193 1.00 63.04 H new ATOM 39 N GLY A 4 2.295 -5.503 2.284 1.00 21.42 N ATOM 40 CA GLY A 4 1.108 -5.438 3.117 1.00 63.02 C ATOM 41 C GLY A 4 -0.015 -4.655 2.465 1.00 24.53 C ATOM 42 O GLY A 4 -0.302 -3.525 2.859 1.00 64.25 O ATOM 0 H GLY A 4 3.066 -4.910 2.590 1.00 21.42 H new ATOM 0 HA2 GLY A 4 0.764 -6.449 3.333 1.00 63.02 H new ATOM 0 HA3 GLY A 4 1.362 -4.977 4.071 1.00 63.02 H new ATOM 46 N MET A 5 -0.650 -5.257 1.465 1.00 33.02 N ATOM 47 CA MET A 5 -1.748 -4.608 0.758 1.00 61.05 C ATOM 48 C MET A 5 -3.015 -4.602 1.607 1.00 5.14 C ATOM 49 O MET A 5 -3.220 -5.485 2.439 1.00 3.44 O ATOM 50 CB MET A 5 -2.015 -5.316 -0.572 1.00 73.20 C ATOM 51 CG MET A 5 -1.715 -4.457 -1.789 1.00 53.34 C ATOM 52 SD MET A 5 -2.769 -2.997 -1.885 1.00 43.54 S ATOM 53 CE MET A 5 -1.647 -1.731 -1.295 1.00 53.33 C ATOM 0 H MET A 5 -0.424 -6.192 1.126 1.00 33.02 H new ATOM 0 HA MET A 5 -1.460 -3.575 0.561 1.00 61.05 H new ATOM 0 HB2 MET A 5 -1.411 -6.222 -0.619 1.00 73.20 H new ATOM 0 HB3 MET A 5 -3.059 -5.627 -0.605 1.00 73.20 H new ATOM 0 HG2 MET A 5 -0.671 -4.145 -1.761 1.00 53.34 H new ATOM 0 HG3 MET A 5 -1.845 -5.054 -2.692 1.00 53.34 H new ATOM 0 HE1 MET A 5 -2.142 -1.135 -0.528 1.00 53.33 H new ATOM 0 HE2 MET A 5 -0.758 -2.200 -0.873 1.00 53.33 H new ATOM 0 HE3 MET A 5 -1.358 -1.086 -2.125 1.00 53.33 H new ATOM 63 N GLY A 6 -3.862 -3.600 1.392 1.00 3.33 N ATOM 64 CA GLY A 6 -5.097 -3.498 2.147 1.00 51.12 C ATOM 65 C GLY A 6 -6.296 -4.002 1.368 1.00 64.14 C ATOM 66 O GLY A 6 -6.847 -3.287 0.531 1.00 14.33 O ATOM 0 H GLY A 6 -3.715 -2.857 0.709 1.00 3.33 H new ATOM 0 HA2 GLY A 6 -5.002 -4.068 3.071 1.00 51.12 H new ATOM 0 HA3 GLY A 6 -5.262 -2.458 2.429 1.00 51.12 H new ATOM 70 N VAL A 7 -6.699 -5.239 1.640 1.00 12.14 N ATOM 71 CA VAL A 7 -7.840 -5.839 0.958 1.00 3.13 C ATOM 72 C VAL A 7 -9.153 -5.257 1.468 1.00 33.13 C ATOM 73 O VAL A 7 -9.527 -5.461 2.623 1.00 13.25 O ATOM 74 CB VAL A 7 -7.863 -7.368 1.142 1.00 45.02 C ATOM 75 CG1 VAL A 7 -6.653 -8.004 0.474 1.00 72.23 C ATOM 76 CG2 VAL A 7 -7.916 -7.726 2.619 1.00 23.13 C ATOM 0 H VAL A 7 -6.252 -5.845 2.328 1.00 12.14 H new ATOM 0 HA VAL A 7 -7.732 -5.610 -0.102 1.00 3.13 H new ATOM 0 HB VAL A 7 -8.761 -7.761 0.664 1.00 45.02 H new ATOM 0 HG11 VAL A 7 -6.686 -9.084 0.614 1.00 72.23 H new ATOM 0 HG12 VAL A 7 -6.664 -7.776 -0.592 1.00 72.23 H new ATOM 0 HG13 VAL A 7 -5.741 -7.608 0.920 1.00 72.23 H new ATOM 0 HG21 VAL A 7 -7.932 -8.810 2.730 1.00 23.13 H new ATOM 0 HG22 VAL A 7 -7.038 -7.322 3.123 1.00 23.13 H new ATOM 0 HG23 VAL A 7 -8.816 -7.303 3.064 1.00 23.13 H new ATOM 86 N ASP A 8 -9.850 -4.533 0.600 1.00 42.34 N ATOM 87 CA ASP A 8 -11.124 -3.922 0.961 1.00 2.01 C ATOM 88 C ASP A 8 -12.283 -4.632 0.269 1.00 62.41 C ATOM 89 O ASP A 8 -12.084 -5.367 -0.698 1.00 41.43 O ATOM 90 CB ASP A 8 -11.125 -2.438 0.592 1.00 53.25 C ATOM 91 CG ASP A 8 -11.941 -1.601 1.557 1.00 33.54 C ATOM 92 OD1 ASP A 8 -12.689 -2.190 2.366 1.00 24.02 O ATOM 93 OD2 ASP A 8 -11.833 -0.358 1.504 1.00 33.21 O ATOM 0 H ASP A 8 -9.554 -4.355 -0.360 1.00 42.34 H new ATOM 0 HA ASP A 8 -11.253 -4.020 2.039 1.00 2.01 H new ATOM 0 HB2 ASP A 8 -10.099 -2.070 0.575 1.00 53.25 H new ATOM 0 HB3 ASP A 8 -11.524 -2.318 -0.415 1.00 53.25 H new ATOM 98 N GLU A 9 -13.493 -4.409 0.772 1.00 22.04 N ATOM 99 CA GLU A 9 -14.683 -5.030 0.203 1.00 41.11 C ATOM 100 C GLU A 9 -14.971 -4.478 -1.191 1.00 25.35 C ATOM 101 O GLU A 9 -15.780 -5.031 -1.933 1.00 71.55 O ATOM 102 CB GLU A 9 -15.891 -4.800 1.114 1.00 43.12 C ATOM 103 CG GLU A 9 -15.701 -5.335 2.523 1.00 21.11 C ATOM 104 CD GLU A 9 -16.866 -6.188 2.985 1.00 32.40 C ATOM 105 OE1 GLU A 9 -17.361 -7.004 2.179 1.00 13.23 O ATOM 106 OE2 GLU A 9 -17.283 -6.040 4.153 1.00 24.42 O ATOM 0 H GLU A 9 -13.675 -3.803 1.572 1.00 22.04 H new ATOM 0 HA GLU A 9 -14.498 -6.101 0.120 1.00 41.11 H new ATOM 0 HB2 GLU A 9 -16.099 -3.731 1.165 1.00 43.12 H new ATOM 0 HB3 GLU A 9 -16.766 -5.274 0.669 1.00 43.12 H new ATOM 0 HG2 GLU A 9 -14.785 -5.925 2.563 1.00 21.11 H new ATOM 0 HG3 GLU A 9 -15.572 -4.499 3.211 1.00 21.11 H new ATOM 113 N ASN A 10 -14.301 -3.384 -1.537 1.00 12.51 N ATOM 114 CA ASN A 10 -14.485 -2.756 -2.840 1.00 52.52 C ATOM 115 C ASN A 10 -14.025 -3.683 -3.961 1.00 1.02 C ATOM 116 O ASN A 10 -14.785 -3.986 -4.881 1.00 72.21 O ATOM 117 CB ASN A 10 -13.715 -1.435 -2.907 1.00 24.42 C ATOM 118 CG ASN A 10 -14.464 -0.295 -2.246 1.00 52.52 C ATOM 119 OD1 ASN A 10 -14.638 0.772 -2.835 1.00 40.35 O ATOM 120 ND2 ASN A 10 -14.912 -0.515 -1.016 1.00 31.13 N ATOM 0 H ASN A 10 -13.626 -2.914 -0.934 1.00 12.51 H new ATOM 0 HA ASN A 10 -15.548 -2.556 -2.971 1.00 52.52 H new ATOM 0 HB2 ASN A 10 -12.746 -1.558 -2.424 1.00 24.42 H new ATOM 0 HB3 ASN A 10 -13.522 -1.183 -3.950 1.00 24.42 H new ATOM 0 HD21 ASN A 10 -15.423 0.216 -0.521 1.00 31.13 H new ATOM 0 HD22 ASN A 10 -14.745 -1.415 -0.566 1.00 31.13 H new ATOM 127 N CYS A 11 -12.777 -4.130 -3.876 1.00 31.21 N ATOM 128 CA CYS A 11 -12.215 -5.023 -4.883 1.00 23.33 C ATOM 129 C CYS A 11 -13.159 -6.187 -5.165 1.00 60.32 C ATOM 130 O CYS A 11 -13.236 -6.679 -6.291 1.00 51.23 O ATOM 131 CB CYS A 11 -10.856 -5.553 -4.423 1.00 21.24 C ATOM 132 SG CYS A 11 -10.954 -6.800 -3.117 1.00 25.21 S ATOM 0 H CYS A 11 -12.135 -3.889 -3.121 1.00 31.21 H new ATOM 0 HA CYS A 11 -12.083 -4.455 -5.804 1.00 23.33 H new ATOM 0 HB2 CYS A 11 -10.335 -5.980 -5.280 1.00 21.24 H new ATOM 0 HB3 CYS A 11 -10.253 -4.717 -4.068 1.00 21.24 H new ATOM 0 HG CYS A 11 -11.351 -6.241 -2.012 1.00 25.21 H new ATOM 138 N VAL A 12 -13.875 -6.625 -4.135 1.00 31.25 N ATOM 139 CA VAL A 12 -14.814 -7.732 -4.271 1.00 72.13 C ATOM 140 C VAL A 12 -15.956 -7.371 -5.215 1.00 10.34 C ATOM 141 O VAL A 12 -16.206 -8.066 -6.198 1.00 63.45 O ATOM 142 CB VAL A 12 -15.400 -8.143 -2.907 1.00 51.13 C ATOM 143 CG1 VAL A 12 -16.415 -9.263 -3.077 1.00 61.15 C ATOM 144 CG2 VAL A 12 -14.290 -8.558 -1.954 1.00 63.43 C ATOM 0 H VAL A 12 -13.823 -6.230 -3.196 1.00 31.25 H new ATOM 0 HA VAL A 12 -14.255 -8.571 -4.685 1.00 72.13 H new ATOM 0 HB VAL A 12 -15.913 -7.283 -2.478 1.00 51.13 H new ATOM 0 HG11 VAL A 12 -16.818 -9.540 -2.103 1.00 61.15 H new ATOM 0 HG12 VAL A 12 -17.226 -8.924 -3.722 1.00 61.15 H new ATOM 0 HG13 VAL A 12 -15.930 -10.128 -3.528 1.00 61.15 H new ATOM 0 HG21 VAL A 12 -14.722 -8.845 -0.995 1.00 63.43 H new ATOM 0 HG22 VAL A 12 -13.746 -9.404 -2.375 1.00 63.43 H new ATOM 0 HG23 VAL A 12 -13.605 -7.723 -1.808 1.00 63.43 H new ATOM 154 N ALA A 13 -16.646 -6.277 -4.907 1.00 74.45 N ATOM 155 CA ALA A 13 -17.761 -5.822 -5.729 1.00 44.52 C ATOM 156 C ALA A 13 -17.386 -5.814 -7.207 1.00 64.03 C ATOM 157 O ALA A 13 -18.209 -6.125 -8.068 1.00 31.31 O ATOM 158 CB ALA A 13 -18.208 -4.436 -5.289 1.00 55.43 C ATOM 0 H ALA A 13 -16.453 -5.690 -4.095 1.00 74.45 H new ATOM 0 HA ALA A 13 -18.588 -6.519 -5.595 1.00 44.52 H new ATOM 0 HB1 ALA A 13 -19.041 -4.108 -5.911 1.00 55.43 H new ATOM 0 HB2 ALA A 13 -18.525 -4.470 -4.247 1.00 55.43 H new ATOM 0 HB3 ALA A 13 -17.379 -3.736 -5.394 1.00 55.43 H new ATOM 164 N ARG A 14 -16.138 -5.456 -7.495 1.00 34.02 N ATOM 165 CA ARG A 14 -15.655 -5.406 -8.869 1.00 75.25 C ATOM 166 C ARG A 14 -15.757 -6.777 -9.531 1.00 71.34 C ATOM 167 O ARG A 14 -16.260 -6.903 -10.648 1.00 71.41 O ATOM 168 CB ARG A 14 -14.207 -4.917 -8.906 1.00 44.51 C ATOM 169 CG ARG A 14 -13.974 -3.644 -8.109 1.00 4.25 C ATOM 170 CD ARG A 14 -14.987 -2.568 -8.467 1.00 34.54 C ATOM 171 NE ARG A 14 -15.932 -2.323 -7.380 1.00 61.11 N ATOM 172 CZ ARG A 14 -17.166 -1.869 -7.568 1.00 10.23 C ATOM 173 NH1 ARG A 14 -17.602 -1.612 -8.793 1.00 74.21 N ATOM 174 NH2 ARG A 14 -17.967 -1.671 -6.528 1.00 44.22 N ATOM 0 H ARG A 14 -15.444 -5.196 -6.794 1.00 34.02 H new ATOM 0 HA ARG A 14 -16.281 -4.706 -9.422 1.00 75.25 H new ATOM 0 HB2 ARG A 14 -13.557 -5.702 -8.519 1.00 44.51 H new ATOM 0 HB3 ARG A 14 -13.917 -4.745 -9.942 1.00 44.51 H new ATOM 0 HG2 ARG A 14 -14.037 -3.864 -7.043 1.00 4.25 H new ATOM 0 HG3 ARG A 14 -12.966 -3.274 -8.299 1.00 4.25 H new ATOM 0 HD2 ARG A 14 -14.463 -1.643 -8.708 1.00 34.54 H new ATOM 0 HD3 ARG A 14 -15.533 -2.867 -9.362 1.00 34.54 H new ATOM 0 HE ARG A 14 -15.628 -2.511 -6.425 1.00 61.11 H new ATOM 0 HH11 ARG A 14 -16.989 -1.763 -9.594 1.00 74.21 H new ATOM 0 HH12 ARG A 14 -18.550 -1.263 -8.934 1.00 74.21 H new ATOM 0 HH21 ARG A 14 -17.635 -1.868 -5.584 1.00 44.22 H new ATOM 0 HH22 ARG A 14 -18.914 -1.322 -6.673 1.00 44.22 H new ATOM 188 N PHE A 15 -15.276 -7.802 -8.835 1.00 43.23 N ATOM 189 CA PHE A 15 -15.311 -9.164 -9.356 1.00 2.42 C ATOM 190 C PHE A 15 -16.746 -9.673 -9.449 1.00 60.41 C ATOM 191 O PHE A 15 -17.075 -10.477 -10.320 1.00 62.42 O ATOM 192 CB PHE A 15 -14.484 -10.094 -8.466 1.00 10.12 C ATOM 193 CG PHE A 15 -13.246 -9.449 -7.911 1.00 60.13 C ATOM 194 CD1 PHE A 15 -12.543 -8.515 -8.655 1.00 11.22 C ATOM 195 CD2 PHE A 15 -12.785 -9.778 -6.647 1.00 2.32 C ATOM 196 CE1 PHE A 15 -11.404 -7.919 -8.147 1.00 64.24 C ATOM 197 CE2 PHE A 15 -11.646 -9.185 -6.134 1.00 73.20 C ATOM 198 CZ PHE A 15 -10.954 -8.256 -6.886 1.00 12.23 C ATOM 0 H PHE A 15 -14.857 -7.715 -7.909 1.00 43.23 H new ATOM 0 HA PHE A 15 -14.882 -9.155 -10.358 1.00 2.42 H new ATOM 0 HB2 PHE A 15 -15.105 -10.440 -7.640 1.00 10.12 H new ATOM 0 HB3 PHE A 15 -14.198 -10.975 -9.041 1.00 10.12 H new ATOM 0 HD1 PHE A 15 -12.889 -8.250 -9.643 1.00 11.22 H new ATOM 0 HD2 PHE A 15 -13.321 -10.506 -6.056 1.00 2.32 H new ATOM 0 HE1 PHE A 15 -10.867 -7.190 -8.736 1.00 64.24 H new ATOM 0 HE2 PHE A 15 -11.298 -9.448 -5.146 1.00 73.20 H new ATOM 0 HZ PHE A 15 -10.062 -7.794 -6.488 1.00 12.23 H new ATOM 208 N ASN A 16 -17.596 -9.199 -8.544 1.00 20.30 N ATOM 209 CA ASN A 16 -18.996 -9.607 -8.523 1.00 20.44 C ATOM 210 C ASN A 16 -19.791 -8.879 -9.602 1.00 34.12 C ATOM 211 O ASN A 16 -20.930 -9.241 -9.897 1.00 42.34 O ATOM 212 CB ASN A 16 -19.608 -9.331 -7.148 1.00 74.10 C ATOM 213 CG ASN A 16 -20.556 -10.429 -6.706 1.00 73.31 C ATOM 214 OD1 ASN A 16 -20.206 -11.271 -5.879 1.00 71.31 O ATOM 215 ND2 ASN A 16 -21.764 -10.425 -7.257 1.00 74.25 N ATOM 0 H ASN A 16 -17.340 -8.532 -7.816 1.00 20.30 H new ATOM 0 HA ASN A 16 -19.040 -10.677 -8.725 1.00 20.44 H new ATOM 0 HB2 ASN A 16 -18.810 -9.226 -6.413 1.00 74.10 H new ATOM 0 HB3 ASN A 16 -20.143 -8.382 -7.175 1.00 74.10 H new ATOM 0 HD21 ASN A 16 -22.445 -11.139 -6.999 1.00 74.25 H new ATOM 0 HD22 ASN A 16 -22.011 -9.708 -7.939 1.00 74.25 H new ATOM 222 N GLU A 17 -19.183 -7.852 -10.186 1.00 43.04 N ATOM 223 CA GLU A 17 -19.835 -7.073 -11.233 1.00 23.24 C ATOM 224 C GLU A 17 -19.735 -7.782 -12.581 1.00 2.45 C ATOM 225 O GLU A 17 -20.706 -7.843 -13.336 1.00 44.22 O ATOM 226 CB GLU A 17 -19.208 -5.681 -11.328 1.00 40.43 C ATOM 227 CG GLU A 17 -19.758 -4.694 -10.312 1.00 31.54 C ATOM 228 CD GLU A 17 -21.129 -4.169 -10.691 1.00 43.33 C ATOM 229 OE1 GLU A 17 -21.988 -4.983 -11.090 1.00 4.33 O ATOM 230 OE2 GLU A 17 -21.342 -2.942 -10.589 1.00 71.34 O ATOM 0 H GLU A 17 -18.240 -7.540 -9.953 1.00 43.04 H new ATOM 0 HA GLU A 17 -20.889 -6.972 -10.973 1.00 23.24 H new ATOM 0 HB2 GLU A 17 -18.130 -5.767 -11.191 1.00 40.43 H new ATOM 0 HB3 GLU A 17 -19.371 -5.286 -12.331 1.00 40.43 H new ATOM 0 HG2 GLU A 17 -19.815 -5.177 -9.336 1.00 31.54 H new ATOM 0 HG3 GLU A 17 -19.067 -3.857 -10.214 1.00 31.54 H new ATOM 237 N LEU A 18 -18.554 -8.315 -12.876 1.00 14.14 N ATOM 238 CA LEU A 18 -18.326 -9.019 -14.133 1.00 22.14 C ATOM 239 C LEU A 18 -18.931 -10.419 -14.090 1.00 44.25 C ATOM 240 O LEU A 18 -19.104 -11.064 -15.125 1.00 3.32 O ATOM 241 CB LEU A 18 -16.827 -9.107 -14.425 1.00 61.42 C ATOM 242 CG LEU A 18 -15.947 -9.600 -13.276 1.00 4.21 C ATOM 243 CD1 LEU A 18 -15.340 -10.954 -13.611 1.00 3.54 C ATOM 244 CD2 LEU A 18 -14.855 -8.585 -12.968 1.00 30.41 C ATOM 0 H LEU A 18 -17.740 -8.273 -12.262 1.00 14.14 H new ATOM 0 HA LEU A 18 -18.813 -8.457 -14.930 1.00 22.14 H new ATOM 0 HB2 LEU A 18 -16.682 -9.770 -15.278 1.00 61.42 H new ATOM 0 HB3 LEU A 18 -16.477 -8.119 -14.726 1.00 61.42 H new ATOM 0 HG LEU A 18 -16.570 -9.714 -12.389 1.00 4.21 H new ATOM 0 HD11 LEU A 18 -14.717 -11.289 -12.782 1.00 3.54 H new ATOM 0 HD12 LEU A 18 -16.137 -11.678 -13.781 1.00 3.54 H new ATOM 0 HD13 LEU A 18 -14.731 -10.867 -14.510 1.00 3.54 H new ATOM 0 HD21 LEU A 18 -14.238 -8.952 -12.148 1.00 30.41 H new ATOM 0 HD22 LEU A 18 -14.234 -8.439 -13.852 1.00 30.41 H new ATOM 0 HD23 LEU A 18 -15.310 -7.636 -12.683 1.00 30.41 H new ATOM 256 N LYS A 19 -19.252 -10.883 -12.888 1.00 15.44 N ATOM 257 CA LYS A 19 -19.842 -12.204 -12.709 1.00 63.32 C ATOM 258 C LYS A 19 -21.344 -12.170 -12.969 1.00 53.24 C ATOM 259 O LYS A 19 -21.897 -13.079 -13.589 1.00 32.11 O ATOM 260 CB LYS A 19 -19.570 -12.720 -11.294 1.00 51.50 C ATOM 261 CG LYS A 19 -20.171 -14.087 -11.019 1.00 22.20 C ATOM 262 CD LYS A 19 -20.157 -14.414 -9.535 1.00 70.11 C ATOM 263 CE LYS A 19 -21.300 -13.728 -8.803 1.00 2.24 C ATOM 264 NZ LYS A 19 -22.565 -14.508 -8.893 1.00 23.40 N ATOM 0 H LYS A 19 -19.113 -10.363 -12.022 1.00 15.44 H new ATOM 0 HA LYS A 19 -19.382 -12.880 -13.430 1.00 63.32 H new ATOM 0 HB2 LYS A 19 -18.493 -12.767 -11.134 1.00 51.50 H new ATOM 0 HB3 LYS A 19 -19.968 -12.006 -10.573 1.00 51.50 H new ATOM 0 HG2 LYS A 19 -21.196 -14.116 -11.389 1.00 22.20 H new ATOM 0 HG3 LYS A 19 -19.613 -14.847 -11.565 1.00 22.20 H new ATOM 0 HD2 LYS A 19 -20.231 -15.493 -9.398 1.00 70.11 H new ATOM 0 HD3 LYS A 19 -19.207 -14.102 -9.102 1.00 70.11 H new ATOM 0 HE2 LYS A 19 -21.031 -13.593 -7.755 1.00 2.24 H new ATOM 0 HE3 LYS A 19 -21.456 -12.734 -9.223 1.00 2.24 H new ATOM 0 HZ1 LYS A 19 -23.319 -14.007 -8.382 1.00 23.40 H new ATOM 0 HZ2 LYS A 19 -22.836 -14.616 -9.891 1.00 23.40 H new ATOM 0 HZ3 LYS A 19 -22.425 -15.447 -8.469 1.00 23.40 H new ATOM 278 N ILE A 20 -21.998 -11.115 -12.494 1.00 34.51 N ATOM 279 CA ILE A 20 -23.436 -10.962 -12.678 1.00 32.40 C ATOM 280 C ILE A 20 -23.779 -10.710 -14.142 1.00 72.43 C ATOM 281 O ILE A 20 -24.824 -11.142 -14.629 1.00 33.42 O ATOM 282 CB ILE A 20 -23.993 -9.807 -11.826 1.00 1.33 C ATOM 283 CG1 ILE A 20 -25.487 -9.617 -12.098 1.00 4.00 C ATOM 284 CG2 ILE A 20 -23.229 -8.522 -12.112 1.00 35.23 C ATOM 285 CD1 ILE A 20 -26.161 -8.667 -11.133 1.00 43.21 C ATOM 0 H ILE A 20 -21.555 -10.354 -11.979 1.00 34.51 H new ATOM 0 HA ILE A 20 -23.896 -11.896 -12.355 1.00 32.40 H new ATOM 0 HB ILE A 20 -23.864 -10.057 -10.773 1.00 1.33 H new ATOM 0 HG12 ILE A 20 -25.619 -9.244 -13.114 1.00 4.00 H new ATOM 0 HG13 ILE A 20 -25.983 -10.586 -12.047 1.00 4.00 H new ATOM 0 HG21 ILE A 20 -23.634 -7.714 -11.502 1.00 35.23 H new ATOM 0 HG22 ILE A 20 -22.175 -8.664 -11.872 1.00 35.23 H new ATOM 0 HG23 ILE A 20 -23.330 -8.266 -13.167 1.00 35.23 H new ATOM 0 HD11 ILE A 20 -27.218 -8.581 -11.386 1.00 43.21 H new ATOM 0 HD12 ILE A 20 -26.061 -9.049 -10.117 1.00 43.21 H new ATOM 0 HD13 ILE A 20 -25.691 -7.686 -11.200 1.00 43.21 H new ATOM 297 N ARG A 21 -22.891 -10.010 -14.840 1.00 72.03 N ATOM 298 CA ARG A 21 -23.099 -9.701 -16.250 1.00 14.02 C ATOM 299 C ARG A 21 -22.452 -10.758 -17.140 1.00 4.24 C ATOM 300 O ARG A 21 -23.007 -11.145 -18.168 1.00 41.41 O ATOM 301 CB ARG A 21 -22.529 -8.321 -16.581 1.00 3.31 C ATOM 302 CG ARG A 21 -23.592 -7.252 -16.771 1.00 12.42 C ATOM 303 CD ARG A 21 -24.479 -7.555 -17.968 1.00 54.20 C ATOM 304 NE ARG A 21 -25.308 -6.411 -18.339 1.00 0.20 N ATOM 305 CZ ARG A 21 -26.065 -6.375 -19.430 1.00 10.31 C ATOM 306 NH1 ARG A 21 -26.098 -7.414 -20.253 1.00 13.05 N ATOM 307 NH2 ARG A 21 -26.791 -5.297 -19.700 1.00 34.44 N ATOM 0 H ARG A 21 -22.021 -9.646 -14.452 1.00 72.03 H new ATOM 0 HA ARG A 21 -24.172 -9.698 -16.441 1.00 14.02 H new ATOM 0 HB2 ARG A 21 -21.856 -8.014 -15.780 1.00 3.31 H new ATOM 0 HB3 ARG A 21 -21.931 -8.393 -17.490 1.00 3.31 H new ATOM 0 HG2 ARG A 21 -24.204 -7.182 -15.872 1.00 12.42 H new ATOM 0 HG3 ARG A 21 -23.114 -6.282 -16.907 1.00 12.42 H new ATOM 0 HD2 ARG A 21 -23.858 -7.842 -18.816 1.00 54.20 H new ATOM 0 HD3 ARG A 21 -25.119 -8.407 -17.738 1.00 54.20 H new ATOM 0 HE ARG A 21 -25.305 -5.595 -17.727 1.00 0.20 H new ATOM 0 HH11 ARG A 21 -25.541 -8.244 -20.049 1.00 13.05 H new ATOM 0 HH12 ARG A 21 -26.680 -7.383 -21.090 1.00 13.05 H new ATOM 0 HH21 ARG A 21 -26.768 -4.496 -19.070 1.00 34.44 H new ATOM 0 HH22 ARG A 21 -27.372 -5.270 -20.538 1.00 34.44 H new ATOM 321 N LYS A 22 -21.273 -11.221 -16.737 1.00 71.10 N ATOM 322 CA LYS A 22 -20.549 -12.234 -17.496 1.00 43.40 C ATOM 323 C LYS A 22 -20.256 -11.747 -18.912 1.00 11.44 C ATOM 324 O LYS A 22 -19.860 -12.526 -19.779 1.00 21.44 O ATOM 325 CB LYS A 22 -21.354 -13.534 -17.549 1.00 2.02 C ATOM 326 CG LYS A 22 -22.038 -13.772 -18.884 1.00 21.12 C ATOM 327 CD LYS A 22 -23.269 -14.650 -18.731 1.00 2.21 C ATOM 328 CE LYS A 22 -24.469 -13.848 -18.252 1.00 52.22 C ATOM 329 NZ LYS A 22 -25.748 -14.580 -18.470 1.00 3.34 N ATOM 0 H LYS A 22 -20.799 -10.911 -15.889 1.00 71.10 H new ATOM 0 HA LYS A 22 -19.601 -12.421 -16.991 1.00 43.40 H new ATOM 0 HB2 LYS A 22 -20.690 -14.372 -17.336 1.00 2.02 H new ATOM 0 HB3 LYS A 22 -22.108 -13.517 -16.762 1.00 2.02 H new ATOM 0 HG2 LYS A 22 -22.324 -12.816 -19.323 1.00 21.12 H new ATOM 0 HG3 LYS A 22 -21.338 -14.243 -19.574 1.00 21.12 H new ATOM 0 HD2 LYS A 22 -23.502 -15.121 -19.686 1.00 2.21 H new ATOM 0 HD3 LYS A 22 -23.060 -15.452 -18.023 1.00 2.21 H new ATOM 0 HE2 LYS A 22 -24.356 -13.623 -17.192 1.00 52.22 H new ATOM 0 HE3 LYS A 22 -24.502 -12.894 -18.779 1.00 52.22 H new ATOM 0 HZ1 LYS A 22 -26.542 -14.000 -18.131 1.00 3.34 H new ATOM 0 HZ2 LYS A 22 -25.869 -14.773 -19.485 1.00 3.34 H new ATOM 0 HZ3 LYS A 22 -25.727 -15.479 -17.947 1.00 3.34 H new ATOM 343 N THR A 23 -20.452 -10.452 -19.140 1.00 14.43 N ATOM 344 CA THR A 23 -20.209 -9.861 -20.450 1.00 14.24 C ATOM 345 C THR A 23 -19.023 -8.905 -20.410 1.00 0.41 C ATOM 346 O THR A 23 -18.043 -9.085 -21.133 1.00 51.42 O ATOM 347 CB THR A 23 -21.448 -9.103 -20.963 1.00 13.24 C ATOM 348 OG1 THR A 23 -22.636 -9.840 -20.654 1.00 74.33 O ATOM 349 CG2 THR A 23 -21.361 -8.877 -22.464 1.00 50.24 C ATOM 0 H THR A 23 -20.779 -9.792 -18.434 1.00 14.43 H new ATOM 0 HA THR A 23 -19.987 -10.683 -21.131 1.00 14.24 H new ATOM 0 HB THR A 23 -21.484 -8.133 -20.467 1.00 13.24 H new ATOM 0 HG1 THR A 23 -22.636 -10.076 -19.703 1.00 74.33 H new ATOM 0 HG21 THR A 23 -22.247 -8.340 -22.803 1.00 50.24 H new ATOM 0 HG22 THR A 23 -20.471 -8.290 -22.693 1.00 50.24 H new ATOM 0 HG23 THR A 23 -21.302 -9.839 -22.974 1.00 50.24 H new ATOM 357 N VAL A 24 -19.117 -7.887 -19.560 1.00 30.02 N ATOM 358 CA VAL A 24 -18.050 -6.903 -19.424 1.00 50.34 C ATOM 359 C VAL A 24 -18.548 -5.646 -18.719 1.00 23.21 C ATOM 360 O VAL A 24 -18.971 -4.685 -19.362 1.00 64.43 O ATOM 361 CB VAL A 24 -17.469 -6.512 -20.797 1.00 35.05 C ATOM 362 CG1 VAL A 24 -18.587 -6.215 -21.784 1.00 52.24 C ATOM 363 CG2 VAL A 24 -16.536 -5.318 -20.659 1.00 75.45 C ATOM 0 H VAL A 24 -19.922 -7.722 -18.955 1.00 30.02 H new ATOM 0 HA VAL A 24 -17.267 -7.366 -18.824 1.00 50.34 H new ATOM 0 HB VAL A 24 -16.892 -7.353 -21.182 1.00 35.05 H new ATOM 0 HG11 VAL A 24 -18.158 -5.941 -22.748 1.00 52.24 H new ATOM 0 HG12 VAL A 24 -19.212 -7.100 -21.903 1.00 52.24 H new ATOM 0 HG13 VAL A 24 -19.194 -5.391 -21.409 1.00 52.24 H new ATOM 0 HG21 VAL A 24 -16.134 -5.055 -21.638 1.00 75.45 H new ATOM 0 HG22 VAL A 24 -17.088 -4.470 -20.253 1.00 75.45 H new ATOM 0 HG23 VAL A 24 -15.716 -5.572 -19.987 1.00 75.45 H new ATOM 373 N LYS A 25 -18.494 -5.659 -17.391 1.00 71.24 N ATOM 374 CA LYS A 25 -18.938 -4.520 -16.596 1.00 65.41 C ATOM 375 C LYS A 25 -17.861 -3.441 -16.544 1.00 22.24 C ATOM 376 O LYS A 25 -18.117 -2.316 -16.115 1.00 73.02 O ATOM 377 CB LYS A 25 -19.293 -4.970 -15.177 1.00 70.53 C ATOM 378 CG LYS A 25 -19.875 -3.863 -14.316 1.00 31.22 C ATOM 379 CD LYS A 25 -21.250 -4.234 -13.785 1.00 40.34 C ATOM 380 CE LYS A 25 -22.273 -4.328 -14.907 1.00 32.12 C ATOM 381 NZ LYS A 25 -23.653 -4.043 -14.424 1.00 42.44 N ATOM 0 H LYS A 25 -18.147 -6.446 -16.843 1.00 71.24 H new ATOM 0 HA LYS A 25 -19.825 -4.101 -17.070 1.00 65.41 H new ATOM 0 HB2 LYS A 25 -20.009 -5.790 -15.233 1.00 70.53 H new ATOM 0 HB3 LYS A 25 -18.398 -5.362 -14.694 1.00 70.53 H new ATOM 0 HG2 LYS A 25 -19.204 -3.659 -13.481 1.00 31.22 H new ATOM 0 HG3 LYS A 25 -19.945 -2.945 -14.900 1.00 31.22 H new ATOM 0 HD2 LYS A 25 -21.194 -5.188 -13.261 1.00 40.34 H new ATOM 0 HD3 LYS A 25 -21.573 -3.490 -13.057 1.00 40.34 H new ATOM 0 HE2 LYS A 25 -22.012 -3.624 -15.697 1.00 32.12 H new ATOM 0 HE3 LYS A 25 -22.240 -5.325 -15.346 1.00 32.12 H new ATOM 0 HZ1 LYS A 25 -24.321 -4.117 -15.218 1.00 42.44 H new ATOM 0 HZ2 LYS A 25 -23.912 -4.731 -13.688 1.00 42.44 H new ATOM 0 HZ3 LYS A 25 -23.691 -3.082 -14.028 1.00 42.44 H new ATOM 395 N TRP A 26 -16.657 -3.791 -16.983 1.00 34.22 N ATOM 396 CA TRP A 26 -15.542 -2.851 -16.987 1.00 33.02 C ATOM 397 C TRP A 26 -15.433 -2.130 -15.648 1.00 21.54 C ATOM 398 O TRP A 26 -16.011 -1.059 -15.460 1.00 62.40 O ATOM 399 CB TRP A 26 -15.711 -1.833 -18.116 1.00 11.34 C ATOM 400 CG TRP A 26 -14.804 -0.647 -17.987 1.00 5.04 C ATOM 401 CD1 TRP A 26 -13.449 -0.628 -18.163 1.00 33.43 C ATOM 402 CD2 TRP A 26 -15.185 0.692 -17.652 1.00 30.22 C ATOM 403 NE1 TRP A 26 -12.966 0.641 -17.958 1.00 10.55 N ATOM 404 CE2 TRP A 26 -14.011 1.470 -17.644 1.00 22.12 C ATOM 405 CE3 TRP A 26 -16.404 1.309 -17.360 1.00 52.43 C ATOM 406 CZ2 TRP A 26 -14.023 2.832 -17.354 1.00 63.34 C ATOM 407 CZ3 TRP A 26 -16.414 2.661 -17.073 1.00 32.01 C ATOM 408 CH2 TRP A 26 -15.230 3.410 -17.072 1.00 52.44 C ATOM 0 H TRP A 26 -16.428 -4.718 -17.341 1.00 34.22 H new ATOM 0 HA TRP A 26 -14.624 -3.415 -17.150 1.00 33.02 H new ATOM 0 HB2 TRP A 26 -15.521 -2.325 -19.070 1.00 11.34 H new ATOM 0 HB3 TRP A 26 -16.745 -1.490 -18.134 1.00 11.34 H new ATOM 0 HD1 TRP A 26 -12.846 -1.485 -18.425 1.00 33.43 H new ATOM 0 HE1 TRP A 26 -11.988 0.921 -18.028 1.00 10.55 H new ATOM 0 HE3 TRP A 26 -17.322 0.740 -17.359 1.00 52.43 H new ATOM 0 HZ2 TRP A 26 -13.112 3.411 -17.352 1.00 63.34 H new ATOM 0 HZ3 TRP A 26 -17.351 3.148 -16.846 1.00 32.01 H new ATOM 0 HH2 TRP A 26 -15.271 4.465 -16.844 1.00 52.44 H new ATOM 419 N ILE A 27 -14.689 -2.724 -14.720 1.00 41.14 N ATOM 420 CA ILE A 27 -14.504 -2.137 -13.399 1.00 43.42 C ATOM 421 C ILE A 27 -13.039 -1.790 -13.152 1.00 55.12 C ATOM 422 O ILE A 27 -12.164 -2.652 -13.230 1.00 33.20 O ATOM 423 CB ILE A 27 -14.989 -3.086 -12.288 1.00 54.00 C ATOM 424 CG1 ILE A 27 -14.708 -4.540 -12.671 1.00 35.51 C ATOM 425 CG2 ILE A 27 -16.474 -2.879 -12.026 1.00 4.24 C ATOM 426 CD1 ILE A 27 -15.882 -5.228 -13.333 1.00 64.25 C ATOM 0 H ILE A 27 -14.205 -3.611 -14.859 1.00 41.14 H new ATOM 0 HA ILE A 27 -15.101 -1.225 -13.373 1.00 43.42 H new ATOM 0 HB ILE A 27 -14.443 -2.859 -11.372 1.00 54.00 H new ATOM 0 HG12 ILE A 27 -13.852 -4.571 -13.345 1.00 35.51 H new ATOM 0 HG13 ILE A 27 -14.429 -5.096 -11.776 1.00 35.51 H new ATOM 0 HG21 ILE A 27 -16.802 -3.557 -11.238 1.00 4.24 H new ATOM 0 HG22 ILE A 27 -16.648 -1.849 -11.715 1.00 4.24 H new ATOM 0 HG23 ILE A 27 -17.036 -3.083 -12.937 1.00 4.24 H new ATOM 0 HD11 ILE A 27 -15.611 -6.255 -13.577 1.00 64.25 H new ATOM 0 HD12 ILE A 27 -16.734 -5.229 -12.653 1.00 64.25 H new ATOM 0 HD13 ILE A 27 -16.148 -4.696 -14.247 1.00 64.25 H new ATOM 438 N VAL A 28 -12.780 -0.521 -12.852 1.00 61.20 N ATOM 439 CA VAL A 28 -11.422 -0.060 -12.590 1.00 62.01 C ATOM 440 C VAL A 28 -11.209 0.206 -11.104 1.00 63.11 C ATOM 441 O VAL A 28 -11.727 1.179 -10.556 1.00 20.10 O ATOM 442 CB VAL A 28 -11.102 1.222 -13.381 1.00 12.51 C ATOM 443 CG1 VAL A 28 -9.688 1.697 -13.081 1.00 35.24 C ATOM 444 CG2 VAL A 28 -11.289 0.989 -14.872 1.00 75.23 C ATOM 0 H VAL A 28 -13.493 0.206 -12.784 1.00 61.20 H new ATOM 0 HA VAL A 28 -10.750 -0.855 -12.914 1.00 62.01 H new ATOM 0 HB VAL A 28 -11.796 2.003 -13.068 1.00 12.51 H new ATOM 0 HG11 VAL A 28 -9.481 2.604 -13.649 1.00 35.24 H new ATOM 0 HG12 VAL A 28 -9.593 1.907 -12.016 1.00 35.24 H new ATOM 0 HG13 VAL A 28 -8.976 0.921 -13.363 1.00 35.24 H new ATOM 0 HG21 VAL A 28 -11.059 1.905 -15.415 1.00 75.23 H new ATOM 0 HG22 VAL A 28 -10.621 0.194 -15.203 1.00 75.23 H new ATOM 0 HG23 VAL A 28 -12.322 0.701 -15.069 1.00 75.23 H new ATOM 454 N PHE A 29 -10.442 -0.665 -10.457 1.00 21.33 N ATOM 455 CA PHE A 29 -10.160 -0.525 -9.033 1.00 20.21 C ATOM 456 C PHE A 29 -8.746 0.002 -8.808 1.00 23.43 C ATOM 457 O PHE A 29 -7.816 -0.350 -9.535 1.00 14.20 O ATOM 458 CB PHE A 29 -10.335 -1.869 -8.322 1.00 40.21 C ATOM 459 CG PHE A 29 -9.339 -2.908 -8.751 1.00 71.11 C ATOM 460 CD1 PHE A 29 -8.050 -2.902 -8.245 1.00 5.23 C ATOM 461 CD2 PHE A 29 -9.693 -3.891 -9.661 1.00 64.24 C ATOM 462 CE1 PHE A 29 -7.131 -3.857 -8.637 1.00 43.01 C ATOM 463 CE2 PHE A 29 -8.778 -4.849 -10.057 1.00 73.11 C ATOM 464 CZ PHE A 29 -7.496 -4.831 -9.545 1.00 65.33 C ATOM 0 H PHE A 29 -10.005 -1.475 -10.896 1.00 21.33 H new ATOM 0 HA PHE A 29 -10.867 0.193 -8.617 1.00 20.21 H new ATOM 0 HB2 PHE A 29 -10.248 -1.716 -7.246 1.00 40.21 H new ATOM 0 HB3 PHE A 29 -11.342 -2.242 -8.510 1.00 40.21 H new ATOM 0 HD1 PHE A 29 -7.759 -2.142 -7.535 1.00 5.23 H new ATOM 0 HD2 PHE A 29 -10.694 -3.909 -10.065 1.00 64.24 H new ATOM 0 HE1 PHE A 29 -6.129 -3.841 -8.234 1.00 43.01 H new ATOM 0 HE2 PHE A 29 -9.066 -5.611 -10.766 1.00 73.11 H new ATOM 0 HZ PHE A 29 -6.780 -5.578 -9.854 1.00 65.33 H new ATOM 474 N LYS A 30 -8.590 0.848 -7.795 1.00 73.31 N ATOM 475 CA LYS A 30 -7.291 1.424 -7.472 1.00 4.04 C ATOM 476 C LYS A 30 -6.799 0.930 -6.115 1.00 10.34 C ATOM 477 O LYS A 30 -7.548 0.306 -5.362 1.00 51.44 O ATOM 478 CB LYS A 30 -7.373 2.952 -7.471 1.00 12.22 C ATOM 479 CG LYS A 30 -8.144 3.519 -6.291 1.00 73.03 C ATOM 480 CD LYS A 30 -8.015 5.031 -6.215 1.00 51.04 C ATOM 481 CE LYS A 30 -8.130 5.529 -4.783 1.00 4.02 C ATOM 482 NZ LYS A 30 -7.265 6.716 -4.537 1.00 42.35 N ATOM 0 H LYS A 30 -9.348 1.150 -7.183 1.00 73.31 H new ATOM 0 HA LYS A 30 -6.581 1.105 -8.235 1.00 4.04 H new ATOM 0 HB2 LYS A 30 -6.363 3.362 -7.465 1.00 12.22 H new ATOM 0 HB3 LYS A 30 -7.846 3.283 -8.396 1.00 12.22 H new ATOM 0 HG2 LYS A 30 -9.196 3.247 -6.378 1.00 73.03 H new ATOM 0 HG3 LYS A 30 -7.775 3.075 -5.367 1.00 73.03 H new ATOM 0 HD2 LYS A 30 -7.055 5.337 -6.632 1.00 51.04 H new ATOM 0 HD3 LYS A 30 -8.790 5.494 -6.826 1.00 51.04 H new ATOM 0 HE2 LYS A 30 -9.168 5.786 -4.570 1.00 4.02 H new ATOM 0 HE3 LYS A 30 -7.852 4.729 -4.097 1.00 4.02 H new ATOM 0 HZ1 LYS A 30 -7.471 7.107 -3.596 1.00 42.35 H new ATOM 0 HZ2 LYS A 30 -6.265 6.433 -4.583 1.00 42.35 H new ATOM 0 HZ3 LYS A 30 -7.453 7.439 -5.261 1.00 42.35 H new ATOM 496 N ILE A 31 -5.538 1.215 -5.808 1.00 62.41 N ATOM 497 CA ILE A 31 -4.948 0.801 -4.541 1.00 15.34 C ATOM 498 C ILE A 31 -4.294 1.980 -3.828 1.00 53.32 C ATOM 499 O ILE A 31 -3.229 2.447 -4.230 1.00 53.25 O ATOM 500 CB ILE A 31 -3.900 -0.308 -4.743 1.00 25.13 C ATOM 501 CG1 ILE A 31 -2.997 0.024 -5.933 1.00 73.41 C ATOM 502 CG2 ILE A 31 -4.583 -1.652 -4.947 1.00 63.01 C ATOM 503 CD1 ILE A 31 -1.603 -0.550 -5.813 1.00 20.51 C ATOM 0 H ILE A 31 -4.905 1.731 -6.419 1.00 62.41 H new ATOM 0 HA ILE A 31 -5.761 0.413 -3.927 1.00 15.34 H new ATOM 0 HB ILE A 31 -3.281 -0.370 -3.848 1.00 25.13 H new ATOM 0 HG12 ILE A 31 -3.459 -0.353 -6.845 1.00 73.41 H new ATOM 0 HG13 ILE A 31 -2.928 1.107 -6.035 1.00 73.41 H new ATOM 0 HG21 ILE A 31 -3.828 -2.426 -5.088 1.00 63.01 H new ATOM 0 HG22 ILE A 31 -5.187 -1.890 -4.071 1.00 63.01 H new ATOM 0 HG23 ILE A 31 -5.224 -1.605 -5.828 1.00 63.01 H new ATOM 0 HD11 ILE A 31 -1.019 -0.275 -6.691 1.00 20.51 H new ATOM 0 HD12 ILE A 31 -1.122 -0.153 -4.919 1.00 20.51 H new ATOM 0 HD13 ILE A 31 -1.662 -1.636 -5.742 1.00 20.51 H new ATOM 515 N GLU A 32 -4.939 2.455 -2.767 1.00 0.20 N ATOM 516 CA GLU A 32 -4.418 3.579 -1.998 1.00 15.32 C ATOM 517 C GLU A 32 -3.306 3.126 -1.056 1.00 74.03 C ATOM 518 O GLU A 32 -2.815 2.002 -1.155 1.00 11.52 O ATOM 519 CB GLU A 32 -5.541 4.241 -1.197 1.00 15.52 C ATOM 520 CG GLU A 32 -5.601 5.750 -1.365 1.00 51.41 C ATOM 521 CD GLU A 32 -5.826 6.475 -0.052 1.00 41.43 C ATOM 522 OE1 GLU A 32 -6.992 6.558 0.387 1.00 52.43 O ATOM 523 OE2 GLU A 32 -4.836 6.960 0.536 1.00 75.44 O ATOM 0 H GLU A 32 -5.822 2.079 -2.421 1.00 0.20 H new ATOM 0 HA GLU A 32 -4.004 4.304 -2.698 1.00 15.32 H new ATOM 0 HB2 GLU A 32 -6.495 3.812 -1.502 1.00 15.52 H new ATOM 0 HB3 GLU A 32 -5.409 4.006 -0.141 1.00 15.52 H new ATOM 0 HG2 GLU A 32 -4.671 6.099 -1.814 1.00 51.41 H new ATOM 0 HG3 GLU A 32 -6.404 6.003 -2.058 1.00 51.41 H new ATOM 530 N ASN A 33 -2.914 4.010 -0.144 1.00 75.32 N ATOM 531 CA ASN A 33 -1.860 3.702 0.815 1.00 63.43 C ATOM 532 C ASN A 33 -2.301 2.599 1.773 1.00 45.22 C ATOM 533 O ASN A 33 -2.874 2.871 2.828 1.00 33.52 O ATOM 534 CB ASN A 33 -1.477 4.955 1.604 1.00 41.54 C ATOM 535 CG ASN A 33 -1.370 6.184 0.721 1.00 73.12 C ATOM 536 OD1 ASN A 33 -1.890 7.249 1.055 1.00 64.02 O ATOM 537 ND2 ASN A 33 -0.695 6.040 -0.413 1.00 44.43 N ATOM 0 H ASN A 33 -3.310 4.945 -0.049 1.00 75.32 H new ATOM 0 HA ASN A 33 -0.990 3.350 0.260 1.00 63.43 H new ATOM 0 HB2 ASN A 33 -2.220 5.133 2.381 1.00 41.54 H new ATOM 0 HB3 ASN A 33 -0.524 4.788 2.106 1.00 41.54 H new ATOM 0 HD21 ASN A 33 -0.591 6.831 -1.048 1.00 44.43 H new ATOM 0 HD22 ASN A 33 -0.281 5.138 -0.649 1.00 44.43 H new ATOM 544 N THR A 34 -2.028 1.353 1.398 1.00 0.02 N ATOM 545 CA THR A 34 -2.396 0.209 2.223 1.00 53.22 C ATOM 546 C THR A 34 -3.908 0.016 2.251 1.00 31.11 C ATOM 547 O THR A 34 -4.505 -0.139 3.317 1.00 51.53 O ATOM 548 CB THR A 34 -1.884 0.369 3.667 1.00 44.05 C ATOM 549 OG1 THR A 34 -0.665 1.122 3.673 1.00 33.42 O ATOM 550 CG2 THR A 34 -1.650 -0.989 4.311 1.00 14.14 C ATOM 0 H THR A 34 -1.553 1.111 0.528 1.00 0.02 H new ATOM 0 HA THR A 34 -1.928 -0.667 1.775 1.00 53.22 H new ATOM 0 HB THR A 34 -2.642 0.900 4.242 1.00 44.05 H new ATOM 0 HG1 THR A 34 -0.346 1.221 4.594 1.00 33.42 H new ATOM 0 HG21 THR A 34 -1.289 -0.851 5.330 1.00 14.14 H new ATOM 0 HG22 THR A 34 -2.585 -1.549 4.330 1.00 14.14 H new ATOM 0 HG23 THR A 34 -0.908 -1.542 3.735 1.00 14.14 H new ATOM 558 N LYS A 35 -4.523 0.025 1.073 1.00 31.53 N ATOM 559 CA LYS A 35 -5.966 -0.152 0.962 1.00 51.13 C ATOM 560 C LYS A 35 -6.392 -0.238 -0.500 1.00 73.33 C ATOM 561 O LYS A 35 -5.699 0.259 -1.389 1.00 33.43 O ATOM 562 CB LYS A 35 -6.697 1.004 1.650 1.00 64.44 C ATOM 563 CG LYS A 35 -8.202 0.814 1.722 1.00 1.25 C ATOM 564 CD LYS A 35 -8.568 -0.462 2.462 1.00 52.22 C ATOM 565 CE LYS A 35 -8.047 -0.447 3.891 1.00 72.13 C ATOM 566 NZ LYS A 35 -8.916 -1.238 4.806 1.00 40.21 N ATOM 0 H LYS A 35 -4.044 0.153 0.181 1.00 31.53 H new ATOM 0 HA LYS A 35 -6.232 -1.087 1.456 1.00 51.13 H new ATOM 0 HB2 LYS A 35 -6.305 1.121 2.660 1.00 64.44 H new ATOM 0 HB3 LYS A 35 -6.481 1.929 1.115 1.00 64.44 H new ATOM 0 HG2 LYS A 35 -8.654 1.669 2.224 1.00 1.25 H new ATOM 0 HG3 LYS A 35 -8.614 0.782 0.714 1.00 1.25 H new ATOM 0 HD2 LYS A 35 -9.651 -0.581 2.470 1.00 52.22 H new ATOM 0 HD3 LYS A 35 -8.157 -1.321 1.933 1.00 52.22 H new ATOM 0 HE2 LYS A 35 -7.035 -0.850 3.913 1.00 72.13 H new ATOM 0 HE3 LYS A 35 -7.988 0.582 4.245 1.00 72.13 H new ATOM 0 HZ1 LYS A 35 -8.527 -1.203 5.770 1.00 40.21 H new ATOM 0 HZ2 LYS A 35 -9.876 -0.838 4.805 1.00 40.21 H new ATOM 0 HZ3 LYS A 35 -8.952 -2.226 4.483 1.00 40.21 H new ATOM 580 N ILE A 36 -7.536 -0.870 -0.742 1.00 61.11 N ATOM 581 CA ILE A 36 -8.055 -1.018 -2.096 1.00 64.32 C ATOM 582 C ILE A 36 -9.448 -0.410 -2.221 1.00 25.31 C ATOM 583 O ILE A 36 -10.249 -0.470 -1.288 1.00 4.00 O ATOM 584 CB ILE A 36 -8.113 -2.498 -2.518 1.00 32.42 C ATOM 585 CG1 ILE A 36 -6.706 -3.099 -2.548 1.00 11.24 C ATOM 586 CG2 ILE A 36 -8.782 -2.636 -3.877 1.00 55.11 C ATOM 587 CD1 ILE A 36 -6.672 -4.574 -2.217 1.00 22.51 C ATOM 0 H ILE A 36 -8.121 -1.288 -0.018 1.00 61.11 H new ATOM 0 HA ILE A 36 -7.369 -0.487 -2.756 1.00 64.32 H new ATOM 0 HB ILE A 36 -8.706 -3.045 -1.785 1.00 32.42 H new ATOM 0 HG12 ILE A 36 -6.276 -2.947 -3.538 1.00 11.24 H new ATOM 0 HG13 ILE A 36 -6.075 -2.561 -1.840 1.00 11.24 H new ATOM 0 HG21 ILE A 36 -8.815 -3.688 -4.161 1.00 55.11 H new ATOM 0 HG22 ILE A 36 -9.797 -2.242 -3.825 1.00 55.11 H new ATOM 0 HG23 ILE A 36 -8.214 -2.077 -4.621 1.00 55.11 H new ATOM 0 HD11 ILE A 36 -5.643 -4.932 -2.257 1.00 22.51 H new ATOM 0 HD12 ILE A 36 -7.072 -4.731 -1.215 1.00 22.51 H new ATOM 0 HD13 ILE A 36 -7.276 -5.123 -2.939 1.00 22.51 H new ATOM 599 N VAL A 37 -9.731 0.174 -3.381 1.00 62.51 N ATOM 600 CA VAL A 37 -11.028 0.790 -3.630 1.00 14.11 C ATOM 601 C VAL A 37 -11.386 0.740 -5.111 1.00 61.50 C ATOM 602 O VAL A 37 -10.572 0.340 -5.944 1.00 32.20 O ATOM 603 CB VAL A 37 -11.053 2.256 -3.157 1.00 33.32 C ATOM 604 CG1 VAL A 37 -11.202 2.326 -1.645 1.00 3.44 C ATOM 605 CG2 VAL A 37 -9.797 2.984 -3.612 1.00 74.51 C ATOM 0 H VAL A 37 -9.079 0.233 -4.163 1.00 62.51 H new ATOM 0 HA VAL A 37 -11.763 0.219 -3.062 1.00 14.11 H new ATOM 0 HB VAL A 37 -11.914 2.750 -3.606 1.00 33.32 H new ATOM 0 HG11 VAL A 37 -11.218 3.369 -1.329 1.00 3.44 H new ATOM 0 HG12 VAL A 37 -12.133 1.843 -1.348 1.00 3.44 H new ATOM 0 HG13 VAL A 37 -10.362 1.816 -1.173 1.00 3.44 H new ATOM 0 HG21 VAL A 37 -9.831 4.018 -3.269 1.00 74.51 H new ATOM 0 HG22 VAL A 37 -8.919 2.492 -3.193 1.00 74.51 H new ATOM 0 HG23 VAL A 37 -9.739 2.964 -4.700 1.00 74.51 H new ATOM 615 N VAL A 38 -12.609 1.148 -5.433 1.00 51.13 N ATOM 616 CA VAL A 38 -13.075 1.151 -6.815 1.00 1.21 C ATOM 617 C VAL A 38 -13.152 2.571 -7.366 1.00 33.34 C ATOM 618 O VAL A 38 -13.478 3.511 -6.641 1.00 61.52 O ATOM 619 CB VAL A 38 -14.459 0.487 -6.942 1.00 64.31 C ATOM 620 CG1 VAL A 38 -15.378 0.949 -5.822 1.00 71.11 C ATOM 621 CG2 VAL A 38 -15.070 0.786 -8.303 1.00 2.14 C ATOM 0 H VAL A 38 -13.295 1.481 -4.756 1.00 51.13 H new ATOM 0 HA VAL A 38 -12.351 0.578 -7.395 1.00 1.21 H new ATOM 0 HB VAL A 38 -14.335 -0.592 -6.854 1.00 64.31 H new ATOM 0 HG11 VAL A 38 -16.351 0.469 -5.928 1.00 71.11 H new ATOM 0 HG12 VAL A 38 -14.943 0.678 -4.860 1.00 71.11 H new ATOM 0 HG13 VAL A 38 -15.499 2.031 -5.874 1.00 71.11 H new ATOM 0 HG21 VAL A 38 -16.048 0.309 -8.376 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -15.182 1.864 -8.423 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -14.419 0.400 -9.087 1.00 2.14 H new ATOM 631 N GLU A 39 -12.851 2.718 -8.652 1.00 72.20 N ATOM 632 CA GLU A 39 -12.887 4.024 -9.300 1.00 24.24 C ATOM 633 C GLU A 39 -14.026 4.098 -10.312 1.00 11.42 C ATOM 634 O GLU A 39 -14.870 4.993 -10.249 1.00 72.44 O ATOM 635 CB GLU A 39 -11.553 4.310 -9.994 1.00 35.10 C ATOM 636 CG GLU A 39 -10.422 4.628 -9.031 1.00 42.23 C ATOM 637 CD GLU A 39 -10.317 6.109 -8.724 1.00 11.35 C ATOM 638 OE1 GLU A 39 -9.853 6.867 -9.601 1.00 24.22 O ATOM 639 OE2 GLU A 39 -10.700 6.511 -7.605 1.00 32.45 O ATOM 0 H GLU A 39 -12.580 1.950 -9.266 1.00 72.20 H new ATOM 0 HA GLU A 39 -13.058 4.778 -8.532 1.00 24.24 H new ATOM 0 HB2 GLU A 39 -11.274 3.446 -10.596 1.00 35.10 H new ATOM 0 HB3 GLU A 39 -11.682 5.148 -10.679 1.00 35.10 H new ATOM 0 HG2 GLU A 39 -10.575 4.078 -8.102 1.00 42.23 H new ATOM 0 HG3 GLU A 39 -9.480 4.281 -9.455 1.00 42.23 H new ATOM 646 N LYS A 40 -14.043 3.153 -11.245 1.00 74.20 N ATOM 647 CA LYS A 40 -15.078 3.109 -12.271 1.00 71.24 C ATOM 648 C LYS A 40 -15.917 1.841 -12.145 1.00 23.15 C ATOM 649 O LYS A 40 -15.487 0.859 -11.539 1.00 2.11 O ATOM 650 CB LYS A 40 -14.447 3.179 -13.664 1.00 34.40 C ATOM 651 CG LYS A 40 -14.240 4.596 -14.167 1.00 52.54 C ATOM 652 CD LYS A 40 -13.242 5.353 -13.307 1.00 52.42 C ATOM 653 CE LYS A 40 -11.898 4.643 -13.257 1.00 51.21 C ATOM 654 NZ LYS A 40 -10.786 5.583 -12.944 1.00 62.42 N ATOM 0 H LYS A 40 -13.351 2.406 -11.312 1.00 74.20 H new ATOM 0 HA LYS A 40 -15.731 3.971 -12.130 1.00 71.24 H new ATOM 0 HB2 LYS A 40 -13.486 2.665 -13.645 1.00 34.40 H new ATOM 0 HB3 LYS A 40 -15.082 2.641 -14.369 1.00 34.40 H new ATOM 0 HG2 LYS A 40 -13.887 4.569 -15.198 1.00 52.54 H new ATOM 0 HG3 LYS A 40 -15.193 5.125 -14.171 1.00 52.54 H new ATOM 0 HD2 LYS A 40 -13.108 6.360 -13.703 1.00 52.42 H new ATOM 0 HD3 LYS A 40 -13.637 5.458 -12.297 1.00 52.42 H new ATOM 0 HE2 LYS A 40 -11.931 3.856 -12.504 1.00 51.21 H new ATOM 0 HE3 LYS A 40 -11.706 4.160 -14.215 1.00 51.21 H new ATOM 0 HZ1 LYS A 40 -10.171 5.682 -13.777 1.00 62.42 H new ATOM 0 HZ2 LYS A 40 -11.178 6.512 -12.690 1.00 62.42 H new ATOM 0 HZ3 LYS A 40 -10.232 5.212 -12.146 1.00 62.42 H new ATOM 668 N ASP A 41 -17.114 1.869 -12.720 1.00 65.23 N ATOM 669 CA ASP A 41 -18.011 0.720 -12.674 1.00 13.52 C ATOM 670 C ASP A 41 -19.339 1.041 -13.353 1.00 31.01 C ATOM 671 O ASP A 41 -19.845 2.158 -13.253 1.00 72.14 O ATOM 672 CB ASP A 41 -18.255 0.295 -11.225 1.00 62.10 C ATOM 673 CG ASP A 41 -19.451 -0.626 -11.085 1.00 51.24 C ATOM 674 OD1 ASP A 41 -19.553 -1.590 -11.873 1.00 32.23 O ATOM 675 OD2 ASP A 41 -20.285 -0.383 -10.188 1.00 42.33 O ATOM 0 H ASP A 41 -17.486 2.674 -13.223 1.00 65.23 H new ATOM 0 HA ASP A 41 -17.538 -0.102 -13.211 1.00 13.52 H new ATOM 0 HB2 ASP A 41 -17.367 -0.207 -10.842 1.00 62.10 H new ATOM 0 HB3 ASP A 41 -18.409 1.182 -10.610 1.00 62.10 H new ATOM 680 N GLY A 42 -19.898 0.053 -14.045 1.00 31.41 N ATOM 681 CA GLY A 42 -21.161 0.250 -14.731 1.00 73.25 C ATOM 682 C GLY A 42 -21.028 0.129 -16.237 1.00 11.54 C ATOM 683 O GLY A 42 -21.672 0.865 -16.986 1.00 24.15 O ATOM 0 H GLY A 42 -19.498 -0.880 -14.143 1.00 31.41 H new ATOM 0 HA2 GLY A 42 -21.884 -0.483 -14.373 1.00 73.25 H new ATOM 0 HA3 GLY A 42 -21.556 1.235 -14.482 1.00 73.25 H new ATOM 687 N LYS A 43 -20.189 -0.799 -16.682 1.00 60.43 N ATOM 688 CA LYS A 43 -19.972 -1.014 -18.108 1.00 62.30 C ATOM 689 C LYS A 43 -19.325 0.209 -18.750 1.00 74.13 C ATOM 690 O LYS A 43 -19.521 1.336 -18.298 1.00 54.11 O ATOM 691 CB LYS A 43 -21.297 -1.329 -18.805 1.00 54.11 C ATOM 692 CG LYS A 43 -21.167 -2.338 -19.933 1.00 41.31 C ATOM 693 CD LYS A 43 -22.286 -3.365 -19.895 1.00 1.13 C ATOM 694 CE LYS A 43 -22.190 -4.248 -18.660 1.00 64.11 C ATOM 695 NZ LYS A 43 -21.595 -5.577 -18.974 1.00 33.03 N ATOM 0 H LYS A 43 -19.647 -1.415 -16.076 1.00 60.43 H new ATOM 0 HA LYS A 43 -19.298 -1.863 -18.224 1.00 62.30 H new ATOM 0 HB2 LYS A 43 -22.004 -1.710 -18.068 1.00 54.11 H new ATOM 0 HB3 LYS A 43 -21.717 -0.405 -19.202 1.00 54.11 H new ATOM 0 HG2 LYS A 43 -21.182 -1.818 -20.891 1.00 41.31 H new ATOM 0 HG3 LYS A 43 -20.205 -2.844 -19.860 1.00 41.31 H new ATOM 0 HD2 LYS A 43 -23.250 -2.855 -19.905 1.00 1.13 H new ATOM 0 HD3 LYS A 43 -22.243 -3.985 -20.791 1.00 1.13 H new ATOM 0 HE2 LYS A 43 -21.585 -3.749 -17.903 1.00 64.11 H new ATOM 0 HE3 LYS A 43 -23.184 -4.386 -18.234 1.00 64.11 H new ATOM 0 HZ1 LYS A 43 -21.220 -6.004 -18.103 1.00 33.03 H new ATOM 0 HZ2 LYS A 43 -22.325 -6.198 -19.377 1.00 33.03 H new ATOM 0 HZ3 LYS A 43 -20.823 -5.458 -19.661 1.00 33.03 H new ATOM 709 N GLY A 44 -18.555 -0.022 -19.809 1.00 5.30 N ATOM 710 CA GLY A 44 -17.893 1.071 -20.497 1.00 5.32 C ATOM 711 C GLY A 44 -17.043 0.596 -21.659 1.00 33.52 C ATOM 712 O GLY A 44 -16.890 1.302 -22.654 1.00 72.12 O ATOM 0 H GLY A 44 -18.378 -0.946 -20.203 1.00 5.30 H new ATOM 0 HA2 GLY A 44 -18.643 1.773 -20.862 1.00 5.32 H new ATOM 0 HA3 GLY A 44 -17.266 1.614 -19.790 1.00 5.32 H new ATOM 716 N ASN A 45 -16.488 -0.605 -21.531 1.00 73.44 N ATOM 717 CA ASN A 45 -15.648 -1.174 -22.579 1.00 3.12 C ATOM 718 C ASN A 45 -14.364 -0.367 -22.744 1.00 5.23 C ATOM 719 O ASN A 45 -14.048 0.492 -21.921 1.00 13.22 O ATOM 720 CB ASN A 45 -16.409 -1.218 -23.905 1.00 74.00 C ATOM 721 CG ASN A 45 -16.254 -2.548 -24.617 1.00 43.11 C ATOM 722 OD1 ASN A 45 -15.816 -2.602 -25.767 1.00 13.34 O ATOM 723 ND2 ASN A 45 -16.613 -3.629 -23.935 1.00 64.53 N ATOM 0 H ASN A 45 -16.605 -1.203 -20.713 1.00 73.44 H new ATOM 0 HA ASN A 45 -15.384 -2.190 -22.286 1.00 3.12 H new ATOM 0 HB2 ASN A 45 -17.466 -1.029 -23.720 1.00 74.00 H new ATOM 0 HB3 ASN A 45 -16.051 -0.418 -24.553 1.00 74.00 H new ATOM 0 HD21 ASN A 45 -16.531 -4.552 -24.362 1.00 64.53 H new ATOM 0 HD22 ASN A 45 -16.971 -3.537 -22.984 1.00 64.53 H new ATOM 730 N ALA A 46 -13.627 -0.649 -23.813 1.00 61.22 N ATOM 731 CA ALA A 46 -12.379 0.052 -24.088 1.00 23.22 C ATOM 732 C ALA A 46 -12.615 1.549 -24.253 1.00 1.20 C ATOM 733 O ALA A 46 -11.740 2.362 -23.954 1.00 41.00 O ATOM 734 CB ALA A 46 -11.715 -0.520 -25.332 1.00 21.13 C ATOM 0 H ALA A 46 -13.873 -1.359 -24.503 1.00 61.22 H new ATOM 0 HA ALA A 46 -11.715 -0.093 -23.236 1.00 23.22 H new ATOM 0 HB1 ALA A 46 -10.784 0.013 -25.525 1.00 21.13 H new ATOM 0 HB2 ALA A 46 -11.502 -1.578 -25.177 1.00 21.13 H new ATOM 0 HB3 ALA A 46 -12.383 -0.406 -26.186 1.00 21.13 H new ATOM 740 N ASP A 47 -13.802 1.907 -24.731 1.00 24.01 N ATOM 741 CA ASP A 47 -14.153 3.307 -24.936 1.00 1.54 C ATOM 742 C ASP A 47 -13.969 4.107 -23.650 1.00 15.24 C ATOM 743 O ASP A 47 -13.343 5.166 -23.651 1.00 3.13 O ATOM 744 CB ASP A 47 -15.598 3.427 -25.423 1.00 64.05 C ATOM 745 CG ASP A 47 -15.875 4.760 -26.091 1.00 21.33 C ATOM 746 OD1 ASP A 47 -14.977 5.627 -26.078 1.00 13.55 O ATOM 747 OD2 ASP A 47 -16.990 4.935 -26.625 1.00 50.33 O ATOM 0 H ASP A 47 -14.537 1.247 -24.984 1.00 24.01 H new ATOM 0 HA ASP A 47 -13.487 3.715 -25.696 1.00 1.54 H new ATOM 0 HB2 ASP A 47 -15.810 2.621 -26.125 1.00 64.05 H new ATOM 0 HB3 ASP A 47 -16.275 3.300 -24.578 1.00 64.05 H new ATOM 752 N GLU A 48 -14.522 3.593 -22.555 1.00 4.10 N ATOM 753 CA GLU A 48 -14.420 4.261 -21.263 1.00 2.31 C ATOM 754 C GLU A 48 -13.092 3.936 -20.585 1.00 60.31 C ATOM 755 O GLU A 48 -12.501 4.782 -19.914 1.00 20.23 O ATOM 756 CB GLU A 48 -15.582 3.848 -20.357 1.00 40.53 C ATOM 757 CG GLU A 48 -16.949 4.082 -20.977 1.00 54.32 C ATOM 758 CD GLU A 48 -17.174 5.531 -21.366 1.00 22.31 C ATOM 759 OE1 GLU A 48 -17.541 6.333 -20.482 1.00 64.11 O ATOM 760 OE2 GLU A 48 -16.982 5.862 -22.555 1.00 20.32 O ATOM 0 H GLU A 48 -15.045 2.717 -22.537 1.00 4.10 H new ATOM 0 HA GLU A 48 -14.467 5.336 -21.435 1.00 2.31 H new ATOM 0 HB2 GLU A 48 -15.481 2.791 -20.109 1.00 40.53 H new ATOM 0 HB3 GLU A 48 -15.517 4.403 -19.421 1.00 40.53 H new ATOM 0 HG2 GLU A 48 -17.056 3.452 -21.860 1.00 54.32 H new ATOM 0 HG3 GLU A 48 -17.721 3.775 -20.271 1.00 54.32 H new ATOM 767 N PHE A 49 -12.629 2.703 -20.765 1.00 41.24 N ATOM 768 CA PHE A 49 -11.372 2.264 -20.171 1.00 10.14 C ATOM 769 C PHE A 49 -10.206 3.105 -20.681 1.00 64.13 C ATOM 770 O PHE A 49 -9.266 3.396 -19.941 1.00 64.15 O ATOM 771 CB PHE A 49 -11.125 0.786 -20.482 1.00 1.55 C ATOM 772 CG PHE A 49 -9.875 0.242 -19.852 1.00 3.33 C ATOM 773 CD1 PHE A 49 -9.507 0.622 -18.571 1.00 24.41 C ATOM 774 CD2 PHE A 49 -9.067 -0.648 -20.541 1.00 31.23 C ATOM 775 CE1 PHE A 49 -8.357 0.122 -17.988 1.00 41.42 C ATOM 776 CE2 PHE A 49 -7.917 -1.151 -19.963 1.00 44.01 C ATOM 777 CZ PHE A 49 -7.560 -0.764 -18.686 1.00 34.32 C ATOM 0 H PHE A 49 -13.106 1.990 -21.318 1.00 41.24 H new ATOM 0 HA PHE A 49 -11.445 2.393 -19.091 1.00 10.14 H new ATOM 0 HB2 PHE A 49 -11.979 0.203 -20.138 1.00 1.55 H new ATOM 0 HB3 PHE A 49 -11.064 0.655 -21.562 1.00 1.55 H new ATOM 0 HD1 PHE A 49 -10.125 1.317 -18.022 1.00 24.41 H new ATOM 0 HD2 PHE A 49 -9.339 -0.952 -21.541 1.00 31.23 H new ATOM 0 HE1 PHE A 49 -8.082 0.424 -16.988 1.00 41.42 H new ATOM 0 HE2 PHE A 49 -7.297 -1.847 -20.510 1.00 44.01 H new ATOM 0 HZ PHE A 49 -6.660 -1.153 -18.234 1.00 34.32 H new ATOM 787 N ARG A 50 -10.274 3.491 -21.951 1.00 42.21 N ATOM 788 CA ARG A 50 -9.223 4.297 -22.562 1.00 74.31 C ATOM 789 C ARG A 50 -9.468 5.783 -22.319 1.00 45.32 C ATOM 790 O ARG A 50 -8.570 6.607 -22.491 1.00 63.55 O ATOM 791 CB ARG A 50 -9.148 4.020 -24.065 1.00 11.22 C ATOM 792 CG ARG A 50 -10.239 4.711 -24.867 1.00 2.34 C ATOM 793 CD ARG A 50 -9.712 5.953 -25.569 1.00 10.12 C ATOM 794 NE ARG A 50 -10.786 6.739 -26.169 1.00 52.53 N ATOM 795 CZ ARG A 50 -10.589 7.892 -26.799 1.00 52.24 C ATOM 796 NH1 ARG A 50 -9.365 8.390 -26.911 1.00 73.31 N ATOM 797 NH2 ARG A 50 -11.618 8.549 -27.320 1.00 3.42 N ATOM 0 H ARG A 50 -11.045 3.259 -22.577 1.00 42.21 H new ATOM 0 HA ARG A 50 -8.274 4.023 -22.101 1.00 74.31 H new ATOM 0 HB2 ARG A 50 -8.176 4.343 -24.437 1.00 11.22 H new ATOM 0 HB3 ARG A 50 -9.212 2.945 -24.231 1.00 11.22 H new ATOM 0 HG2 ARG A 50 -10.644 4.018 -25.605 1.00 2.34 H new ATOM 0 HG3 ARG A 50 -11.060 4.987 -24.205 1.00 2.34 H new ATOM 0 HD2 ARG A 50 -9.167 6.570 -24.854 1.00 10.12 H new ATOM 0 HD3 ARG A 50 -9.002 5.659 -26.342 1.00 10.12 H new ATOM 0 HE ARG A 50 -11.740 6.384 -26.101 1.00 52.53 H new ATOM 0 HH11 ARG A 50 -8.572 7.888 -26.513 1.00 73.31 H new ATOM 0 HH12 ARG A 50 -9.217 9.275 -27.395 1.00 73.31 H new ATOM 0 HH21 ARG A 50 -12.561 8.169 -27.237 1.00 3.42 H new ATOM 0 HH22 ARG A 50 -11.466 9.434 -27.804 1.00 3.42 H new ATOM 811 N GLY A 51 -10.690 6.119 -21.918 1.00 41.43 N ATOM 812 CA GLY A 51 -11.030 7.506 -21.659 1.00 55.11 C ATOM 813 C GLY A 51 -11.227 7.789 -20.183 1.00 23.32 C ATOM 814 O GLY A 51 -11.696 8.862 -19.807 1.00 15.14 O ATOM 0 H GLY A 51 -11.450 5.456 -21.768 1.00 41.43 H new ATOM 0 HA2 GLY A 51 -10.240 8.149 -22.047 1.00 55.11 H new ATOM 0 HA3 GLY A 51 -11.942 7.760 -22.199 1.00 55.11 H new ATOM 818 N ALA A 52 -10.868 6.822 -19.344 1.00 44.41 N ATOM 819 CA ALA A 52 -11.007 6.973 -17.901 1.00 25.30 C ATOM 820 C ALA A 52 -9.648 6.916 -17.210 1.00 14.02 C ATOM 821 O ALA A 52 -9.385 7.671 -16.273 1.00 33.34 O ATOM 822 CB ALA A 52 -11.929 5.898 -17.345 1.00 12.32 C ATOM 0 H ALA A 52 -10.479 5.926 -19.639 1.00 44.41 H new ATOM 0 HA ALA A 52 -11.446 7.951 -17.703 1.00 25.30 H new ATOM 0 HB1 ALA A 52 -12.024 6.022 -16.266 1.00 12.32 H new ATOM 0 HB2 ALA A 52 -12.912 5.986 -17.808 1.00 12.32 H new ATOM 0 HB3 ALA A 52 -11.513 4.914 -17.561 1.00 12.32 H new ATOM 828 N LEU A 53 -8.789 6.017 -17.677 1.00 52.11 N ATOM 829 CA LEU A 53 -7.457 5.861 -17.103 1.00 51.42 C ATOM 830 C LEU A 53 -6.748 7.208 -16.999 1.00 33.02 C ATOM 831 O LEU A 53 -6.585 7.929 -17.983 1.00 42.12 O ATOM 832 CB LEU A 53 -6.624 4.898 -17.951 1.00 54.31 C ATOM 833 CG LEU A 53 -6.135 3.634 -17.245 1.00 20.52 C ATOM 834 CD1 LEU A 53 -5.032 3.969 -16.253 1.00 30.11 C ATOM 835 CD2 LEU A 53 -7.290 2.933 -16.544 1.00 50.11 C ATOM 0 H LEU A 53 -8.991 5.385 -18.452 1.00 52.11 H new ATOM 0 HA LEU A 53 -7.567 5.450 -16.099 1.00 51.42 H new ATOM 0 HB2 LEU A 53 -7.217 4.601 -18.816 1.00 54.31 H new ATOM 0 HB3 LEU A 53 -5.756 5.437 -18.330 1.00 54.31 H new ATOM 0 HG LEU A 53 -5.727 2.957 -17.996 1.00 20.52 H new ATOM 0 HD11 LEU A 53 -4.697 3.057 -15.760 1.00 30.11 H new ATOM 0 HD12 LEU A 53 -4.194 4.425 -16.781 1.00 30.11 H new ATOM 0 HD13 LEU A 53 -5.413 4.666 -15.506 1.00 30.11 H new ATOM 0 HD21 LEU A 53 -6.923 2.035 -16.047 1.00 50.11 H new ATOM 0 HD22 LEU A 53 -7.728 3.604 -15.805 1.00 50.11 H new ATOM 0 HD23 LEU A 53 -8.048 2.657 -17.278 1.00 50.11 H new ATOM 847 N PRO A 54 -6.315 7.556 -15.778 1.00 61.20 N ATOM 848 CA PRO A 54 -5.614 8.816 -15.516 1.00 41.33 C ATOM 849 C PRO A 54 -4.217 8.840 -16.126 1.00 44.04 C ATOM 850 O PRO A 54 -3.498 7.842 -16.094 1.00 21.40 O ATOM 851 CB PRO A 54 -5.531 8.866 -13.989 1.00 32.44 C ATOM 852 CG PRO A 54 -5.593 7.440 -13.560 1.00 11.33 C ATOM 853 CD PRO A 54 -6.475 6.745 -14.559 1.00 74.03 C ATOM 0 HA PRO A 54 -6.131 9.668 -15.956 1.00 41.33 H new ATOM 0 HB2 PRO A 54 -4.607 9.339 -13.658 1.00 32.44 H new ATOM 0 HB3 PRO A 54 -6.354 9.443 -13.566 1.00 32.44 H new ATOM 0 HG2 PRO A 54 -4.598 6.995 -13.541 1.00 11.33 H new ATOM 0 HG3 PRO A 54 -6.000 7.353 -12.553 1.00 11.33 H new ATOM 0 HD2 PRO A 54 -6.164 5.713 -14.720 1.00 74.03 H new ATOM 0 HD3 PRO A 54 -7.513 6.718 -14.228 1.00 74.03 H new ATOM 861 N ALA A 55 -3.838 9.986 -16.682 1.00 2.42 N ATOM 862 CA ALA A 55 -2.525 10.140 -17.297 1.00 13.31 C ATOM 863 C ALA A 55 -1.457 10.424 -16.247 1.00 23.13 C ATOM 864 O ALA A 55 -0.262 10.298 -16.513 1.00 74.23 O ATOM 865 CB ALA A 55 -2.556 11.252 -18.335 1.00 51.30 C ATOM 0 H ALA A 55 -4.422 10.822 -16.719 1.00 2.42 H new ATOM 0 HA ALA A 55 -2.271 9.203 -17.792 1.00 13.31 H new ATOM 0 HB1 ALA A 55 -1.569 11.356 -18.786 1.00 51.30 H new ATOM 0 HB2 ALA A 55 -3.285 11.008 -19.108 1.00 51.30 H new ATOM 0 HB3 ALA A 55 -2.836 12.190 -17.855 1.00 51.30 H new ATOM 871 N ASN A 56 -1.895 10.808 -15.052 1.00 43.42 N ATOM 872 CA ASN A 56 -0.975 11.111 -13.962 1.00 3.31 C ATOM 873 C ASN A 56 -1.109 10.090 -12.837 1.00 34.32 C ATOM 874 O ASN A 56 -1.004 10.431 -11.659 1.00 23.14 O ATOM 875 CB ASN A 56 -1.237 12.519 -13.422 1.00 23.30 C ATOM 876 CG ASN A 56 -2.710 12.776 -13.169 1.00 43.24 C ATOM 877 OD1 ASN A 56 -3.228 12.477 -12.093 1.00 42.43 O ATOM 878 ND2 ASN A 56 -3.392 13.333 -14.163 1.00 43.23 N ATOM 0 H ASN A 56 -2.881 10.917 -14.814 1.00 43.42 H new ATOM 0 HA ASN A 56 0.041 11.062 -14.354 1.00 3.31 H new ATOM 0 HB2 ASN A 56 -0.682 12.659 -12.494 1.00 23.30 H new ATOM 0 HB3 ASN A 56 -0.860 13.254 -14.133 1.00 23.30 H new ATOM 0 HD21 ASN A 56 -4.387 13.530 -14.052 1.00 43.23 H new ATOM 0 HD22 ASN A 56 -2.921 13.564 -15.038 1.00 43.23 H new ATOM 885 N ASP A 57 -1.343 8.836 -13.209 1.00 24.14 N ATOM 886 CA ASP A 57 -1.490 7.763 -12.231 1.00 50.45 C ATOM 887 C ASP A 57 -1.750 6.429 -12.924 1.00 3.20 C ATOM 888 O ASP A 57 -1.856 6.365 -14.149 1.00 61.13 O ATOM 889 CB ASP A 57 -2.631 8.080 -11.263 1.00 41.12 C ATOM 890 CG ASP A 57 -2.176 8.094 -9.817 1.00 42.42 C ATOM 891 OD1 ASP A 57 -2.128 7.010 -9.199 1.00 14.11 O ATOM 892 OD2 ASP A 57 -1.866 9.190 -9.304 1.00 31.31 O ATOM 0 H ASP A 57 -1.435 8.537 -14.180 1.00 24.14 H new ATOM 0 HA ASP A 57 -0.559 7.685 -11.670 1.00 50.45 H new ATOM 0 HB2 ASP A 57 -3.059 9.050 -11.516 1.00 41.12 H new ATOM 0 HB3 ASP A 57 -3.423 7.341 -11.385 1.00 41.12 H new ATOM 897 N CYS A 58 -1.850 5.367 -12.132 1.00 44.33 N ATOM 898 CA CYS A 58 -2.095 4.034 -12.669 1.00 62.54 C ATOM 899 C CYS A 58 -3.399 3.459 -12.125 1.00 4.33 C ATOM 900 O CYS A 58 -3.915 3.922 -11.108 1.00 13.23 O ATOM 901 CB CYS A 58 -0.931 3.102 -12.328 1.00 71.30 C ATOM 902 SG CYS A 58 -1.108 2.251 -10.743 1.00 24.54 S ATOM 0 H CYS A 58 -1.765 5.404 -11.116 1.00 44.33 H new ATOM 0 HA CYS A 58 -2.180 4.116 -13.753 1.00 62.54 H new ATOM 0 HB2 CYS A 58 -0.831 2.358 -13.119 1.00 71.30 H new ATOM 0 HB3 CYS A 58 -0.007 3.681 -12.317 1.00 71.30 H new ATOM 0 HG CYS A 58 -0.193 1.333 -10.639 1.00 24.54 H new ATOM 908 N ARG A 59 -3.926 2.450 -12.809 1.00 71.34 N ATOM 909 CA ARG A 59 -5.171 1.814 -12.396 1.00 14.31 C ATOM 910 C ARG A 59 -5.333 0.450 -13.061 1.00 4.33 C ATOM 911 O ARG A 59 -4.717 0.173 -14.090 1.00 50.23 O ATOM 912 CB ARG A 59 -6.364 2.707 -12.743 1.00 72.02 C ATOM 913 CG ARG A 59 -6.964 3.417 -11.541 1.00 1.23 C ATOM 914 CD ARG A 59 -7.354 4.848 -11.876 1.00 42.23 C ATOM 915 NE ARG A 59 -7.653 5.629 -10.679 1.00 11.01 N ATOM 916 CZ ARG A 59 -6.723 6.202 -9.924 1.00 3.32 C ATOM 917 NH1 ARG A 59 -5.441 6.083 -10.241 1.00 2.12 N ATOM 918 NH2 ARG A 59 -7.074 6.897 -8.849 1.00 41.23 N ATOM 0 H ARG A 59 -3.510 2.055 -13.652 1.00 71.34 H new ATOM 0 HA ARG A 59 -5.135 1.670 -11.316 1.00 14.31 H new ATOM 0 HB2 ARG A 59 -6.049 3.452 -13.474 1.00 72.02 H new ATOM 0 HB3 ARG A 59 -7.135 2.100 -13.218 1.00 72.02 H new ATOM 0 HG2 ARG A 59 -7.842 2.871 -11.196 1.00 1.23 H new ATOM 0 HG3 ARG A 59 -6.246 3.417 -10.721 1.00 1.23 H new ATOM 0 HD2 ARG A 59 -6.543 5.325 -12.427 1.00 42.23 H new ATOM 0 HD3 ARG A 59 -8.225 4.842 -12.532 1.00 42.23 H new ATOM 0 HE ARG A 59 -8.630 5.741 -10.408 1.00 11.01 H new ATOM 0 HH11 ARG A 59 -5.167 5.550 -11.067 1.00 2.12 H new ATOM 0 HH12 ARG A 59 -4.729 6.524 -9.659 1.00 2.12 H new ATOM 0 HH21 ARG A 59 -8.059 6.991 -8.602 1.00 41.23 H new ATOM 0 HH22 ARG A 59 -6.359 7.337 -8.270 1.00 41.23 H new ATOM 932 N PHE A 60 -6.164 -0.398 -12.465 1.00 23.24 N ATOM 933 CA PHE A 60 -6.405 -1.734 -12.998 1.00 1.13 C ATOM 934 C PHE A 60 -7.809 -1.839 -13.586 1.00 64.25 C ATOM 935 O PHE A 60 -8.605 -0.907 -13.491 1.00 52.54 O ATOM 936 CB PHE A 60 -6.219 -2.785 -11.901 1.00 53.22 C ATOM 937 CG PHE A 60 -4.882 -2.713 -11.222 1.00 44.20 C ATOM 938 CD1 PHE A 60 -3.742 -3.179 -11.857 1.00 5.21 C ATOM 939 CD2 PHE A 60 -4.764 -2.179 -9.949 1.00 40.41 C ATOM 940 CE1 PHE A 60 -2.510 -3.114 -11.234 1.00 24.32 C ATOM 941 CE2 PHE A 60 -3.535 -2.111 -9.321 1.00 65.10 C ATOM 942 CZ PHE A 60 -2.406 -2.579 -9.965 1.00 3.32 C ATOM 0 H PHE A 60 -6.682 -0.184 -11.613 1.00 23.24 H new ATOM 0 HA PHE A 60 -5.682 -1.917 -13.793 1.00 1.13 H new ATOM 0 HB2 PHE A 60 -7.004 -2.662 -11.154 1.00 53.22 H new ATOM 0 HB3 PHE A 60 -6.344 -3.777 -12.335 1.00 53.22 H new ATOM 0 HD1 PHE A 60 -3.817 -3.598 -12.850 1.00 5.21 H new ATOM 0 HD2 PHE A 60 -5.643 -1.811 -9.441 1.00 40.41 H new ATOM 0 HE1 PHE A 60 -1.629 -3.481 -11.739 1.00 24.32 H new ATOM 0 HE2 PHE A 60 -3.457 -1.693 -8.328 1.00 65.10 H new ATOM 0 HZ PHE A 60 -1.444 -2.527 -9.477 1.00 3.32 H new ATOM 952 N GLY A 61 -8.104 -2.983 -14.196 1.00 70.42 N ATOM 953 CA GLY A 61 -9.411 -3.190 -14.792 1.00 62.44 C ATOM 954 C GLY A 61 -9.829 -4.647 -14.781 1.00 61.44 C ATOM 955 O GLY A 61 -9.079 -5.519 -15.220 1.00 61.41 O ATOM 0 H GLY A 61 -7.461 -3.770 -14.288 1.00 70.42 H new ATOM 0 HA2 GLY A 61 -10.151 -2.599 -14.252 1.00 62.44 H new ATOM 0 HA3 GLY A 61 -9.400 -2.826 -15.819 1.00 62.44 H new ATOM 959 N VAL A 62 -11.030 -4.913 -14.277 1.00 23.12 N ATOM 960 CA VAL A 62 -11.546 -6.275 -14.210 1.00 14.25 C ATOM 961 C VAL A 62 -12.644 -6.498 -15.244 1.00 13.35 C ATOM 962 O VAL A 62 -13.603 -5.729 -15.322 1.00 32.44 O ATOM 963 CB VAL A 62 -12.102 -6.596 -12.809 1.00 52.34 C ATOM 964 CG1 VAL A 62 -11.642 -7.972 -12.355 1.00 31.43 C ATOM 965 CG2 VAL A 62 -11.681 -5.527 -11.812 1.00 31.33 C ATOM 0 H VAL A 62 -11.664 -4.203 -13.909 1.00 23.12 H new ATOM 0 HA VAL A 62 -10.710 -6.941 -14.423 1.00 14.25 H new ATOM 0 HB VAL A 62 -13.191 -6.603 -12.861 1.00 52.34 H new ATOM 0 HG11 VAL A 62 -12.044 -8.181 -11.364 1.00 31.43 H new ATOM 0 HG12 VAL A 62 -11.998 -8.725 -13.058 1.00 31.43 H new ATOM 0 HG13 VAL A 62 -10.553 -7.998 -12.317 1.00 31.43 H new ATOM 0 HG21 VAL A 62 -12.082 -5.769 -10.828 1.00 31.33 H new ATOM 0 HG22 VAL A 62 -10.593 -5.486 -11.760 1.00 31.33 H new ATOM 0 HG23 VAL A 62 -12.066 -4.559 -12.132 1.00 31.33 H new ATOM 975 N TYR A 63 -12.498 -7.554 -16.035 1.00 63.13 N ATOM 976 CA TYR A 63 -13.476 -7.878 -17.067 1.00 12.22 C ATOM 977 C TYR A 63 -13.541 -9.384 -17.303 1.00 1.40 C ATOM 978 O TYR A 63 -12.561 -10.000 -17.722 1.00 72.31 O ATOM 979 CB TYR A 63 -13.129 -7.160 -18.372 1.00 63.01 C ATOM 980 CG TYR A 63 -13.347 -8.007 -19.605 1.00 53.25 C ATOM 981 CD1 TYR A 63 -14.622 -8.193 -20.127 1.00 43.23 C ATOM 982 CD2 TYR A 63 -12.280 -8.622 -20.248 1.00 52.34 C ATOM 983 CE1 TYR A 63 -14.826 -8.966 -21.254 1.00 34.24 C ATOM 984 CE2 TYR A 63 -12.475 -9.396 -21.376 1.00 14.51 C ATOM 985 CZ TYR A 63 -13.750 -9.565 -21.875 1.00 12.05 C ATOM 986 OH TYR A 63 -13.949 -10.336 -22.997 1.00 21.23 O ATOM 0 H TYR A 63 -11.711 -8.201 -15.982 1.00 63.13 H new ATOM 0 HA TYR A 63 -14.454 -7.540 -16.724 1.00 12.22 H new ATOM 0 HB2 TYR A 63 -13.733 -6.256 -18.451 1.00 63.01 H new ATOM 0 HB3 TYR A 63 -12.086 -6.845 -18.337 1.00 63.01 H new ATOM 0 HD1 TYR A 63 -15.467 -7.726 -19.644 1.00 43.23 H new ATOM 0 HD2 TYR A 63 -11.281 -8.493 -19.859 1.00 52.34 H new ATOM 0 HE1 TYR A 63 -15.823 -9.100 -21.647 1.00 34.24 H new ATOM 0 HE2 TYR A 63 -11.634 -9.866 -21.864 1.00 14.51 H new ATOM 0 HH TYR A 63 -13.089 -10.684 -23.312 1.00 21.23 H new ATOM 996 N ASP A 64 -14.702 -9.969 -17.031 1.00 51.14 N ATOM 997 CA ASP A 64 -14.897 -11.402 -17.215 1.00 73.34 C ATOM 998 C ASP A 64 -14.576 -11.815 -18.648 1.00 65.13 C ATOM 999 O ASP A 64 -15.338 -11.531 -19.573 1.00 12.12 O ATOM 1000 CB ASP A 64 -16.336 -11.791 -16.870 1.00 63.13 C ATOM 1001 CG ASP A 64 -16.718 -13.148 -17.428 1.00 33.01 C ATOM 1002 OD1 ASP A 64 -16.322 -14.170 -16.828 1.00 43.54 O ATOM 1003 OD2 ASP A 64 -17.415 -13.189 -18.463 1.00 51.52 O ATOM 0 H ASP A 64 -15.522 -9.473 -16.682 1.00 51.14 H new ATOM 0 HA ASP A 64 -14.216 -11.925 -16.544 1.00 73.34 H new ATOM 0 HB2 ASP A 64 -16.457 -11.799 -15.787 1.00 63.13 H new ATOM 0 HB3 ASP A 64 -17.017 -11.035 -17.261 1.00 63.13 H new ATOM 1008 N CYS A 65 -13.442 -12.485 -18.825 1.00 73.11 N ATOM 1009 CA CYS A 65 -13.018 -12.935 -20.146 1.00 74.41 C ATOM 1010 C CYS A 65 -13.568 -14.325 -20.449 1.00 74.41 C ATOM 1011 O CYS A 65 -13.015 -15.058 -21.267 1.00 63.54 O ATOM 1012 CB CYS A 65 -11.492 -12.946 -20.238 1.00 62.44 C ATOM 1013 SG CYS A 65 -10.851 -12.650 -21.903 1.00 2.11 S ATOM 0 H CYS A 65 -12.800 -12.728 -18.070 1.00 73.11 H new ATOM 0 HA CYS A 65 -13.414 -12.238 -20.885 1.00 74.41 H new ATOM 0 HB2 CYS A 65 -11.093 -12.186 -19.566 1.00 62.44 H new ATOM 0 HB3 CYS A 65 -11.124 -13.909 -19.885 1.00 62.44 H new ATOM 0 HG CYS A 65 -9.551 -12.676 -21.879 1.00 2.11 H new ATOM 1019 N GLY A 66 -14.662 -14.682 -19.782 1.00 24.24 N ATOM 1020 CA GLY A 66 -15.267 -15.984 -19.992 1.00 33.10 C ATOM 1021 C GLY A 66 -14.701 -17.043 -19.068 1.00 24.44 C ATOM 1022 O GLY A 66 -15.448 -17.768 -18.412 1.00 5.15 O ATOM 0 H GLY A 66 -15.140 -14.093 -19.100 1.00 24.24 H new ATOM 0 HA2 GLY A 66 -16.344 -15.910 -19.838 1.00 33.10 H new ATOM 0 HA3 GLY A 66 -15.113 -16.290 -21.027 1.00 33.10 H new ATOM 1026 N ASN A 67 -13.376 -17.135 -19.017 1.00 4.22 N ATOM 1027 CA ASN A 67 -12.709 -18.115 -18.167 1.00 71.35 C ATOM 1028 C ASN A 67 -11.785 -17.429 -17.166 1.00 41.03 C ATOM 1029 O ASN A 67 -11.875 -17.662 -15.961 1.00 4.44 O ATOM 1030 CB ASN A 67 -11.911 -19.102 -19.022 1.00 31.31 C ATOM 1031 CG ASN A 67 -12.192 -20.546 -18.652 1.00 52.12 C ATOM 1032 OD1 ASN A 67 -11.470 -21.147 -17.857 1.00 4.42 O ATOM 1033 ND2 ASN A 67 -13.247 -21.110 -19.230 1.00 4.22 N ATOM 0 H ASN A 67 -12.743 -16.543 -19.554 1.00 4.22 H new ATOM 0 HA ASN A 67 -13.474 -18.659 -17.613 1.00 71.35 H new ATOM 0 HB2 ASN A 67 -12.152 -18.946 -20.073 1.00 31.31 H new ATOM 0 HB3 ASN A 67 -10.846 -18.901 -18.906 1.00 31.31 H new ATOM 0 HD21 ASN A 67 -13.486 -22.079 -19.020 1.00 4.22 H new ATOM 0 HD22 ASN A 67 -13.818 -20.574 -19.883 1.00 4.22 H new ATOM 1040 N LYS A 68 -10.897 -16.581 -17.674 1.00 63.22 N ATOM 1041 CA LYS A 68 -9.956 -15.858 -16.826 1.00 73.42 C ATOM 1042 C LYS A 68 -10.247 -14.361 -16.845 1.00 64.01 C ATOM 1043 O LYS A 68 -11.151 -13.904 -17.545 1.00 1.34 O ATOM 1044 CB LYS A 68 -8.520 -16.116 -17.287 1.00 60.12 C ATOM 1045 CG LYS A 68 -8.192 -15.494 -18.633 1.00 53.24 C ATOM 1046 CD LYS A 68 -8.611 -16.396 -19.782 1.00 32.42 C ATOM 1047 CE LYS A 68 -9.389 -15.628 -20.839 1.00 74.31 C ATOM 1048 NZ LYS A 68 -9.166 -16.182 -22.203 1.00 75.14 N ATOM 0 H LYS A 68 -10.809 -16.377 -18.670 1.00 63.22 H new ATOM 0 HA LYS A 68 -10.073 -16.220 -15.805 1.00 73.42 H new ATOM 0 HB2 LYS A 68 -7.831 -15.725 -16.538 1.00 60.12 H new ATOM 0 HB3 LYS A 68 -8.353 -17.192 -17.343 1.00 60.12 H new ATOM 0 HG2 LYS A 68 -8.696 -14.532 -18.722 1.00 53.24 H new ATOM 0 HG3 LYS A 68 -7.121 -15.300 -18.694 1.00 53.24 H new ATOM 0 HD2 LYS A 68 -7.727 -16.845 -20.234 1.00 32.42 H new ATOM 0 HD3 LYS A 68 -9.223 -17.213 -19.400 1.00 32.42 H new ATOM 0 HE2 LYS A 68 -10.453 -15.661 -20.603 1.00 74.31 H new ATOM 0 HE3 LYS A 68 -9.091 -14.580 -20.819 1.00 74.31 H new ATOM 0 HZ1 LYS A 68 -9.713 -15.631 -22.895 1.00 75.14 H new ATOM 0 HZ2 LYS A 68 -8.155 -16.127 -22.439 1.00 75.14 H new ATOM 0 HZ3 LYS A 68 -9.474 -17.175 -22.229 1.00 75.14 H new ATOM 1062 N ILE A 69 -9.474 -13.603 -16.074 1.00 64.44 N ATOM 1063 CA ILE A 69 -9.647 -12.158 -16.006 1.00 0.25 C ATOM 1064 C ILE A 69 -8.367 -11.431 -16.404 1.00 21.12 C ATOM 1065 O ILE A 69 -7.456 -11.269 -15.592 1.00 52.11 O ATOM 1066 CB ILE A 69 -10.061 -11.707 -14.592 1.00 74.23 C ATOM 1067 CG1 ILE A 69 -11.535 -12.034 -14.341 1.00 1.32 C ATOM 1068 CG2 ILE A 69 -9.805 -10.218 -14.415 1.00 34.01 C ATOM 1069 CD1 ILE A 69 -11.832 -13.517 -14.332 1.00 11.23 C ATOM 0 H ILE A 69 -8.722 -13.966 -15.488 1.00 64.44 H new ATOM 0 HA ILE A 69 -10.441 -11.902 -16.708 1.00 0.25 H new ATOM 0 HB ILE A 69 -9.459 -12.248 -13.862 1.00 74.23 H new ATOM 0 HG12 ILE A 69 -11.836 -11.606 -13.385 1.00 1.32 H new ATOM 0 HG13 ILE A 69 -12.141 -11.555 -15.110 1.00 1.32 H new ATOM 0 HG21 ILE A 69 -10.102 -9.914 -13.411 1.00 34.01 H new ATOM 0 HG22 ILE A 69 -8.744 -10.012 -14.557 1.00 34.01 H new ATOM 0 HG23 ILE A 69 -10.385 -9.659 -15.150 1.00 34.01 H new ATOM 0 HD11 ILE A 69 -12.895 -13.674 -14.149 1.00 11.23 H new ATOM 0 HD12 ILE A 69 -11.563 -13.948 -15.296 1.00 11.23 H new ATOM 0 HD13 ILE A 69 -11.253 -13.999 -13.545 1.00 11.23 H new ATOM 1081 N GLN A 70 -8.306 -10.994 -17.658 1.00 35.44 N ATOM 1082 CA GLN A 70 -7.138 -10.283 -18.163 1.00 20.51 C ATOM 1083 C GLN A 70 -7.177 -8.814 -17.757 1.00 11.03 C ATOM 1084 O GLN A 70 -7.914 -8.018 -18.339 1.00 1.31 O ATOM 1085 CB GLN A 70 -7.062 -10.402 -19.686 1.00 41.01 C ATOM 1086 CG GLN A 70 -5.679 -10.117 -20.250 1.00 73.42 C ATOM 1087 CD GLN A 70 -5.705 -9.098 -21.372 1.00 11.22 C ATOM 1088 OE1 GLN A 70 -6.015 -7.926 -21.154 1.00 62.13 O ATOM 1089 NE2 GLN A 70 -5.379 -9.539 -22.581 1.00 24.21 N ATOM 0 H GLN A 70 -9.052 -11.120 -18.342 1.00 35.44 H new ATOM 0 HA GLN A 70 -6.250 -10.738 -17.725 1.00 20.51 H new ATOM 0 HB2 GLN A 70 -7.365 -11.407 -19.979 1.00 41.01 H new ATOM 0 HB3 GLN A 70 -7.777 -9.711 -20.132 1.00 41.01 H new ATOM 0 HG2 GLN A 70 -5.032 -9.755 -19.451 1.00 73.42 H new ATOM 0 HG3 GLN A 70 -5.242 -11.046 -20.618 1.00 73.42 H new ATOM 0 HE21 GLN A 70 -5.129 -10.519 -22.716 1.00 24.21 H new ATOM 0 HE22 GLN A 70 -5.379 -8.898 -23.375 1.00 24.21 H new ATOM 1098 N PHE A 71 -6.380 -8.461 -16.754 1.00 3.01 N ATOM 1099 CA PHE A 71 -6.324 -7.087 -16.269 1.00 12.04 C ATOM 1100 C PHE A 71 -4.960 -6.465 -16.552 1.00 52.45 C ATOM 1101 O PHE A 71 -3.922 -7.045 -16.235 1.00 31.12 O ATOM 1102 CB PHE A 71 -6.615 -7.042 -14.767 1.00 55.22 C ATOM 1103 CG PHE A 71 -5.406 -7.297 -13.914 1.00 31.40 C ATOM 1104 CD1 PHE A 71 -4.794 -8.540 -13.911 1.00 70.41 C ATOM 1105 CD2 PHE A 71 -4.882 -6.295 -13.114 1.00 44.34 C ATOM 1106 CE1 PHE A 71 -3.681 -8.779 -13.127 1.00 43.14 C ATOM 1107 CE2 PHE A 71 -3.768 -6.527 -12.329 1.00 74.20 C ATOM 1108 CZ PHE A 71 -3.168 -7.771 -12.335 1.00 21.15 C ATOM 0 H PHE A 71 -5.764 -9.108 -16.261 1.00 3.01 H new ATOM 0 HA PHE A 71 -7.083 -6.511 -16.797 1.00 12.04 H new ATOM 0 HB2 PHE A 71 -7.029 -6.066 -14.514 1.00 55.22 H new ATOM 0 HB3 PHE A 71 -7.379 -7.783 -14.531 1.00 55.22 H new ATOM 0 HD1 PHE A 71 -5.191 -9.332 -14.529 1.00 70.41 H new ATOM 0 HD2 PHE A 71 -5.349 -5.321 -13.103 1.00 44.34 H new ATOM 0 HE1 PHE A 71 -3.213 -9.753 -13.134 1.00 43.14 H new ATOM 0 HE2 PHE A 71 -3.367 -5.736 -11.712 1.00 74.20 H new ATOM 0 HZ PHE A 71 -2.299 -7.955 -11.721 1.00 21.15 H new ATOM 1118 N VAL A 72 -4.971 -5.279 -17.154 1.00 22.14 N ATOM 1119 CA VAL A 72 -3.736 -4.577 -17.481 1.00 2.55 C ATOM 1120 C VAL A 72 -3.770 -3.140 -16.972 1.00 5.14 C ATOM 1121 O VAL A 72 -4.838 -2.544 -16.833 1.00 14.50 O ATOM 1122 CB VAL A 72 -3.481 -4.566 -19.000 1.00 15.44 C ATOM 1123 CG1 VAL A 72 -3.828 -5.916 -19.609 1.00 4.32 C ATOM 1124 CG2 VAL A 72 -4.276 -3.452 -19.664 1.00 53.14 C ATOM 0 H VAL A 72 -5.821 -4.785 -17.425 1.00 22.14 H new ATOM 0 HA VAL A 72 -2.926 -5.115 -16.989 1.00 2.55 H new ATOM 0 HB VAL A 72 -2.421 -4.378 -19.173 1.00 15.44 H new ATOM 0 HG11 VAL A 72 -3.642 -5.890 -20.683 1.00 4.32 H new ATOM 0 HG12 VAL A 72 -3.211 -6.690 -19.153 1.00 4.32 H new ATOM 0 HG13 VAL A 72 -4.880 -6.137 -19.429 1.00 4.32 H new ATOM 0 HG21 VAL A 72 -4.085 -3.458 -20.737 1.00 53.14 H new ATOM 0 HG22 VAL A 72 -5.340 -3.607 -19.484 1.00 53.14 H new ATOM 0 HG23 VAL A 72 -3.974 -2.491 -19.247 1.00 53.14 H new ATOM 1134 N LEU A 73 -2.593 -2.588 -16.695 1.00 31.41 N ATOM 1135 CA LEU A 73 -2.487 -1.220 -16.201 1.00 42.23 C ATOM 1136 C LEU A 73 -1.355 -0.474 -16.902 1.00 74.51 C ATOM 1137 O LEU A 73 -0.349 -1.072 -17.285 1.00 12.44 O ATOM 1138 CB LEU A 73 -2.254 -1.219 -14.689 1.00 41.44 C ATOM 1139 CG LEU A 73 -0.851 -1.611 -14.226 1.00 64.31 C ATOM 1140 CD1 LEU A 73 -0.416 -2.913 -14.883 1.00 14.53 C ATOM 1141 CD2 LEU A 73 0.143 -0.500 -14.532 1.00 54.24 C ATOM 0 H LEU A 73 -1.699 -3.067 -16.804 1.00 31.41 H new ATOM 0 HA LEU A 73 -3.424 -0.708 -16.418 1.00 42.23 H new ATOM 0 HB2 LEU A 73 -2.475 -0.222 -14.308 1.00 41.44 H new ATOM 0 HB3 LEU A 73 -2.970 -1.901 -14.231 1.00 41.44 H new ATOM 0 HG LEU A 73 -0.875 -1.762 -13.147 1.00 64.31 H new ATOM 0 HD11 LEU A 73 0.585 -3.176 -14.541 1.00 14.53 H new ATOM 0 HD12 LEU A 73 -1.112 -3.707 -14.613 1.00 14.53 H new ATOM 0 HD13 LEU A 73 -0.409 -2.789 -15.966 1.00 14.53 H new ATOM 0 HD21 LEU A 73 1.136 -0.797 -14.195 1.00 54.24 H new ATOM 0 HD22 LEU A 73 0.164 -0.316 -15.606 1.00 54.24 H new ATOM 0 HD23 LEU A 73 -0.158 0.411 -14.014 1.00 54.24 H new ATOM 1153 N TRP A 74 -1.527 0.832 -17.065 1.00 1.31 N ATOM 1154 CA TRP A 74 -0.519 1.660 -17.718 1.00 23.31 C ATOM 1155 C TRP A 74 0.268 2.469 -16.693 1.00 51.51 C ATOM 1156 O TRP A 74 -0.313 3.113 -15.818 1.00 73.32 O ATOM 1157 CB TRP A 74 -1.177 2.598 -18.731 1.00 32.22 C ATOM 1158 CG TRP A 74 -0.273 3.699 -19.196 1.00 61.20 C ATOM 1159 CD1 TRP A 74 0.721 3.604 -20.128 1.00 52.41 C ATOM 1160 CD2 TRP A 74 -0.279 5.059 -18.749 1.00 63.10 C ATOM 1161 NE1 TRP A 74 1.333 4.824 -20.287 1.00 42.15 N ATOM 1162 CE2 TRP A 74 0.738 5.733 -19.453 1.00 51.25 C ATOM 1163 CE3 TRP A 74 -1.045 5.773 -17.824 1.00 43.31 C ATOM 1164 CZ2 TRP A 74 1.007 7.085 -19.259 1.00 55.53 C ATOM 1165 CZ3 TRP A 74 -0.777 7.115 -17.632 1.00 43.33 C ATOM 1166 CH2 TRP A 74 0.241 7.760 -18.348 1.00 1.35 C ATOM 0 H TRP A 74 -2.354 1.341 -16.754 1.00 1.31 H new ATOM 0 HA TRP A 74 0.173 1.001 -18.242 1.00 23.31 H new ATOM 0 HB2 TRP A 74 -1.504 2.018 -19.594 1.00 32.22 H new ATOM 0 HB3 TRP A 74 -2.070 3.035 -18.284 1.00 32.22 H new ATOM 0 HD1 TRP A 74 0.987 2.703 -20.661 1.00 52.41 H new ATOM 0 HE1 TRP A 74 2.106 5.021 -20.923 1.00 42.15 H new ATOM 0 HE3 TRP A 74 -1.832 5.285 -17.269 1.00 43.31 H new ATOM 0 HZ2 TRP A 74 1.792 7.583 -19.808 1.00 55.53 H new ATOM 0 HZ3 TRP A 74 -1.362 7.676 -16.918 1.00 43.33 H new ATOM 0 HH2 TRP A 74 0.424 8.811 -18.177 1.00 1.35 H new ATOM 1177 N CYS A 75 1.591 2.434 -16.807 1.00 32.01 N ATOM 1178 CA CYS A 75 2.457 3.165 -15.889 1.00 21.01 C ATOM 1179 C CYS A 75 2.454 4.656 -16.209 1.00 40.14 C ATOM 1180 O CYS A 75 2.705 5.074 -17.340 1.00 62.31 O ATOM 1181 CB CYS A 75 3.884 2.619 -15.958 1.00 1.24 C ATOM 1182 SG CYS A 75 4.356 1.606 -14.537 1.00 30.44 S ATOM 0 H CYS A 75 2.087 1.907 -17.526 1.00 32.01 H new ATOM 0 HA CYS A 75 2.072 3.028 -14.879 1.00 21.01 H new ATOM 0 HB2 CYS A 75 3.991 2.025 -16.866 1.00 1.24 H new ATOM 0 HB3 CYS A 75 4.578 3.455 -16.041 1.00 1.24 H new ATOM 0 HG CYS A 75 5.578 1.189 -14.688 1.00 30.44 H new ATOM 1188 N PRO A 76 2.161 5.480 -15.192 1.00 23.30 N ATOM 1189 CA PRO A 76 2.117 6.937 -15.341 1.00 40.30 C ATOM 1190 C PRO A 76 3.501 7.540 -15.559 1.00 54.05 C ATOM 1191 O PRO A 76 4.465 7.163 -14.893 1.00 34.00 O ATOM 1192 CB PRO A 76 1.531 7.412 -14.009 1.00 40.41 C ATOM 1193 CG PRO A 76 1.877 6.337 -13.038 1.00 73.10 C ATOM 1194 CD PRO A 76 1.852 5.051 -13.818 1.00 14.34 C ATOM 0 HA PRO A 76 1.535 7.240 -16.211 1.00 40.30 H new ATOM 0 HB2 PRO A 76 1.957 8.369 -13.708 1.00 40.41 H new ATOM 0 HB3 PRO A 76 0.452 7.551 -14.078 1.00 40.41 H new ATOM 0 HG2 PRO A 76 2.860 6.509 -12.600 1.00 73.10 H new ATOM 0 HG3 PRO A 76 1.162 6.309 -12.216 1.00 73.10 H new ATOM 0 HD2 PRO A 76 2.588 4.340 -13.444 1.00 14.34 H new ATOM 0 HD3 PRO A 76 0.879 4.564 -13.758 1.00 14.34 H new ATOM 1202 N ASP A 77 3.591 8.478 -16.496 1.00 20.20 N ATOM 1203 CA ASP A 77 4.857 9.134 -16.801 1.00 41.11 C ATOM 1204 C ASP A 77 5.065 10.355 -15.911 1.00 13.15 C ATOM 1205 O ASP A 77 6.063 11.063 -16.034 1.00 22.10 O ATOM 1206 CB ASP A 77 4.900 9.548 -18.273 1.00 31.41 C ATOM 1207 CG ASP A 77 6.112 8.993 -18.995 1.00 3.40 C ATOM 1208 OD1 ASP A 77 7.215 9.550 -18.815 1.00 4.11 O ATOM 1209 OD2 ASP A 77 5.958 8.003 -19.741 1.00 10.51 O ATOM 0 H ASP A 77 2.803 8.801 -17.057 1.00 20.20 H new ATOM 0 HA ASP A 77 5.661 8.424 -16.607 1.00 41.11 H new ATOM 0 HB2 ASP A 77 3.994 9.203 -18.771 1.00 31.41 H new ATOM 0 HB3 ASP A 77 4.906 10.636 -18.341 1.00 31.41 H new ATOM 1214 N ASN A 78 4.113 10.596 -15.014 1.00 25.10 N ATOM 1215 CA ASN A 78 4.191 11.733 -14.104 1.00 23.33 C ATOM 1216 C ASN A 78 4.944 11.359 -12.830 1.00 54.10 C ATOM 1217 O ASN A 78 5.592 12.202 -12.210 1.00 72.31 O ATOM 1218 CB ASN A 78 2.787 12.229 -13.753 1.00 61.00 C ATOM 1219 CG ASN A 78 2.454 13.546 -14.427 1.00 61.24 C ATOM 1220 OD1 ASN A 78 2.251 14.562 -13.763 1.00 51.22 O ATOM 1221 ND2 ASN A 78 2.397 13.533 -15.754 1.00 74.11 N ATOM 0 H ASN A 78 3.280 10.019 -14.898 1.00 25.10 H new ATOM 0 HA ASN A 78 4.736 12.532 -14.606 1.00 23.33 H new ATOM 0 HB2 ASN A 78 2.055 11.478 -14.048 1.00 61.00 H new ATOM 0 HB3 ASN A 78 2.706 12.346 -12.672 1.00 61.00 H new ATOM 0 HD21 ASN A 78 2.178 14.389 -16.263 1.00 74.11 H new ATOM 0 HD22 ASN A 78 2.573 12.667 -16.264 1.00 74.11 H new ATOM 1228 N ALA A 79 4.852 10.090 -12.446 1.00 45.02 N ATOM 1229 CA ALA A 79 5.526 9.604 -11.249 1.00 22.15 C ATOM 1230 C ALA A 79 5.234 8.125 -11.016 1.00 44.34 C ATOM 1231 O ALA A 79 4.488 7.750 -10.112 1.00 72.54 O ATOM 1232 CB ALA A 79 5.106 10.423 -10.037 1.00 41.33 C ATOM 0 H ALA A 79 4.317 9.380 -12.947 1.00 45.02 H new ATOM 0 HA ALA A 79 6.600 9.717 -11.396 1.00 22.15 H new ATOM 0 HB1 ALA A 79 5.617 10.049 -9.150 1.00 41.33 H new ATOM 0 HB2 ALA A 79 5.371 11.468 -10.195 1.00 41.33 H new ATOM 0 HB3 ALA A 79 4.028 10.339 -9.897 1.00 41.33 H new ATOM 1238 N PRO A 80 5.835 7.265 -11.851 1.00 65.52 N ATOM 1239 CA PRO A 80 5.655 5.813 -11.757 1.00 33.14 C ATOM 1240 C PRO A 80 6.319 5.226 -10.516 1.00 30.30 C ATOM 1241 O PRO A 80 5.903 4.182 -10.012 1.00 1.43 O ATOM 1242 CB PRO A 80 6.332 5.288 -13.025 1.00 33.30 C ATOM 1243 CG PRO A 80 7.336 6.330 -13.378 1.00 22.25 C ATOM 1244 CD PRO A 80 6.738 7.642 -12.952 1.00 4.15 C ATOM 0 HA PRO A 80 4.604 5.537 -11.674 1.00 33.14 H new ATOM 0 HB2 PRO A 80 6.808 4.323 -12.849 1.00 33.30 H new ATOM 0 HB3 PRO A 80 5.610 5.145 -13.829 1.00 33.30 H new ATOM 0 HG2 PRO A 80 8.282 6.149 -12.868 1.00 22.25 H new ATOM 0 HG3 PRO A 80 7.544 6.325 -14.448 1.00 22.25 H new ATOM 0 HD2 PRO A 80 7.504 8.344 -12.621 1.00 4.15 H new ATOM 0 HD3 PRO A 80 6.198 8.121 -13.768 1.00 4.15 H new ATOM 1252 N VAL A 81 7.354 5.903 -10.028 1.00 33.52 N ATOM 1253 CA VAL A 81 8.075 5.448 -8.845 1.00 13.43 C ATOM 1254 C VAL A 81 7.114 5.126 -7.706 1.00 1.34 C ATOM 1255 O VAL A 81 7.423 4.321 -6.827 1.00 74.10 O ATOM 1256 CB VAL A 81 9.087 6.505 -8.365 1.00 2.15 C ATOM 1257 CG1 VAL A 81 8.393 7.835 -8.113 1.00 73.20 C ATOM 1258 CG2 VAL A 81 9.805 6.024 -7.113 1.00 4.13 C ATOM 0 H VAL A 81 7.712 6.768 -10.433 1.00 33.52 H new ATOM 0 HA VAL A 81 8.612 4.543 -9.129 1.00 13.43 H new ATOM 0 HB VAL A 81 9.830 6.653 -9.149 1.00 2.15 H new ATOM 0 HG11 VAL A 81 9.125 8.569 -7.775 1.00 73.20 H new ATOM 0 HG12 VAL A 81 7.929 8.184 -9.036 1.00 73.20 H new ATOM 0 HG13 VAL A 81 7.627 7.707 -7.348 1.00 73.20 H new ATOM 0 HG21 VAL A 81 10.516 6.783 -6.787 1.00 4.13 H new ATOM 0 HG22 VAL A 81 9.077 5.846 -6.322 1.00 4.13 H new ATOM 0 HG23 VAL A 81 10.337 5.098 -7.332 1.00 4.13 H new ATOM 1268 N LYS A 82 5.947 5.760 -7.726 1.00 53.54 N ATOM 1269 CA LYS A 82 4.938 5.541 -6.697 1.00 11.32 C ATOM 1270 C LYS A 82 4.170 4.248 -6.954 1.00 3.45 C ATOM 1271 O LYS A 82 4.236 3.295 -6.178 1.00 25.51 O ATOM 1272 CB LYS A 82 3.966 6.722 -6.646 1.00 40.43 C ATOM 1273 CG LYS A 82 4.135 7.597 -5.416 1.00 34.43 C ATOM 1274 CD LYS A 82 3.200 7.170 -4.296 1.00 61.12 C ATOM 1275 CE LYS A 82 3.300 8.104 -3.100 1.00 25.21 C ATOM 1276 NZ LYS A 82 1.980 8.306 -2.442 1.00 0.12 N ATOM 0 H LYS A 82 5.676 6.431 -8.445 1.00 53.54 H new ATOM 0 HA LYS A 82 5.447 5.456 -5.737 1.00 11.32 H new ATOM 0 HB2 LYS A 82 4.103 7.333 -7.538 1.00 40.43 H new ATOM 0 HB3 LYS A 82 2.945 6.342 -6.674 1.00 40.43 H new ATOM 0 HG2 LYS A 82 5.167 7.544 -5.070 1.00 34.43 H new ATOM 0 HG3 LYS A 82 3.939 8.637 -5.678 1.00 34.43 H new ATOM 0 HD2 LYS A 82 2.174 7.156 -4.663 1.00 61.12 H new ATOM 0 HD3 LYS A 82 3.442 6.153 -3.986 1.00 61.12 H new ATOM 0 HE2 LYS A 82 4.007 7.695 -2.378 1.00 25.21 H new ATOM 0 HE3 LYS A 82 3.696 9.067 -3.423 1.00 25.21 H new ATOM 0 HZ1 LYS A 82 2.091 8.949 -1.632 1.00 0.12 H new ATOM 0 HZ2 LYS A 82 1.312 8.720 -3.123 1.00 0.12 H new ATOM 0 HZ3 LYS A 82 1.614 7.391 -2.111 1.00 0.12 H new ATOM 1290 N PRO A 83 3.425 4.213 -8.068 1.00 61.12 N ATOM 1291 CA PRO A 83 2.633 3.042 -8.454 1.00 35.44 C ATOM 1292 C PRO A 83 3.505 1.867 -8.882 1.00 60.31 C ATOM 1293 O PRO A 83 3.364 0.757 -8.368 1.00 23.01 O ATOM 1294 CB PRO A 83 1.801 3.549 -9.635 1.00 21.25 C ATOM 1295 CG PRO A 83 2.597 4.672 -10.203 1.00 40.43 C ATOM 1296 CD PRO A 83 3.299 5.313 -9.038 1.00 45.55 C ATOM 0 HA PRO A 83 2.035 2.664 -7.625 1.00 35.44 H new ATOM 0 HB2 PRO A 83 1.642 2.763 -10.373 1.00 21.25 H new ATOM 0 HB3 PRO A 83 0.816 3.886 -9.310 1.00 21.25 H new ATOM 0 HG2 PRO A 83 3.314 4.309 -10.939 1.00 40.43 H new ATOM 0 HG3 PRO A 83 1.953 5.388 -10.713 1.00 40.43 H new ATOM 0 HD2 PRO A 83 4.273 5.709 -9.325 1.00 45.55 H new ATOM 0 HD3 PRO A 83 2.724 6.144 -8.630 1.00 45.55 H new ATOM 1304 N ARG A 84 4.406 2.118 -9.826 1.00 3.11 N ATOM 1305 CA ARG A 84 5.301 1.080 -10.324 1.00 2.44 C ATOM 1306 C ARG A 84 5.931 0.306 -9.169 1.00 44.53 C ATOM 1307 O ARG A 84 6.232 -0.880 -9.296 1.00 35.34 O ATOM 1308 CB ARG A 84 6.396 1.697 -11.196 1.00 70.24 C ATOM 1309 CG ARG A 84 7.234 0.669 -11.938 1.00 65.31 C ATOM 1310 CD ARG A 84 8.722 0.913 -11.736 1.00 71.34 C ATOM 1311 NE ARG A 84 9.507 -0.303 -11.933 1.00 4.34 N ATOM 1312 CZ ARG A 84 10.764 -0.440 -11.523 1.00 54.10 C ATOM 1313 NH1 ARG A 84 11.373 0.558 -10.898 1.00 22.33 N ATOM 1314 NH2 ARG A 84 11.412 -1.577 -11.738 1.00 65.24 N ATOM 0 H ARG A 84 4.536 3.031 -10.261 1.00 3.11 H new ATOM 0 HA ARG A 84 4.714 0.387 -10.926 1.00 2.44 H new ATOM 0 HB2 ARG A 84 5.936 2.370 -11.920 1.00 70.24 H new ATOM 0 HB3 ARG A 84 7.050 2.303 -10.569 1.00 70.24 H new ATOM 0 HG2 ARG A 84 6.978 -0.331 -11.589 1.00 65.31 H new ATOM 0 HG3 ARG A 84 6.999 0.706 -13.002 1.00 65.31 H new ATOM 0 HD2 ARG A 84 9.061 1.680 -12.432 1.00 71.34 H new ATOM 0 HD3 ARG A 84 8.893 1.296 -10.730 1.00 71.34 H new ATOM 0 HE ARG A 84 9.067 -1.089 -12.411 1.00 4.34 H new ATOM 0 HH11 ARG A 84 10.877 1.433 -10.731 1.00 22.33 H new ATOM 0 HH12 ARG A 84 12.338 0.450 -10.584 1.00 22.33 H new ATOM 0 HH21 ARG A 84 10.946 -2.347 -12.218 1.00 65.24 H new ATOM 0 HH22 ARG A 84 12.377 -1.682 -11.423 1.00 65.24 H new ATOM 1328 N MET A 85 6.129 0.988 -8.045 1.00 64.54 N ATOM 1329 CA MET A 85 6.723 0.363 -6.869 1.00 3.53 C ATOM 1330 C MET A 85 5.650 -0.271 -5.989 1.00 42.45 C ATOM 1331 O MET A 85 5.722 -1.455 -5.660 1.00 4.13 O ATOM 1332 CB MET A 85 7.515 1.395 -6.063 1.00 65.00 C ATOM 1333 CG MET A 85 8.828 1.798 -6.715 1.00 71.04 C ATOM 1334 SD MET A 85 10.126 0.568 -6.482 1.00 52.33 S ATOM 1335 CE MET A 85 11.407 1.567 -5.728 1.00 32.05 C ATOM 0 H MET A 85 5.887 1.972 -7.924 1.00 64.54 H new ATOM 0 HA MET A 85 7.400 -0.421 -7.208 1.00 3.53 H new ATOM 0 HB2 MET A 85 6.900 2.284 -5.923 1.00 65.00 H new ATOM 0 HB3 MET A 85 7.720 0.990 -5.072 1.00 65.00 H new ATOM 0 HG2 MET A 85 8.667 1.953 -7.782 1.00 71.04 H new ATOM 0 HG3 MET A 85 9.157 2.751 -6.301 1.00 71.04 H new ATOM 0 HE1 MET A 85 12.279 0.946 -5.523 1.00 32.05 H new ATOM 0 HE2 MET A 85 11.687 2.373 -6.407 1.00 32.05 H new ATOM 0 HE3 MET A 85 11.036 1.991 -4.795 1.00 32.05 H new ATOM 1345 N THR A 86 4.654 0.525 -5.612 1.00 3.21 N ATOM 1346 CA THR A 86 3.567 0.042 -4.770 1.00 3.22 C ATOM 1347 C THR A 86 2.824 -1.109 -5.438 1.00 24.33 C ATOM 1348 O THR A 86 2.797 -2.226 -4.921 1.00 24.43 O ATOM 1349 CB THR A 86 2.565 1.166 -4.447 1.00 12.22 C ATOM 1350 OG1 THR A 86 3.248 2.275 -3.852 1.00 14.50 O ATOM 1351 CG2 THR A 86 1.479 0.669 -3.505 1.00 32.50 C ATOM 0 H THR A 86 4.578 1.507 -5.877 1.00 3.21 H new ATOM 0 HA THR A 86 4.018 -0.310 -3.842 1.00 3.22 H new ATOM 0 HB THR A 86 2.098 1.485 -5.379 1.00 12.22 H new ATOM 0 HG1 THR A 86 3.694 2.797 -4.551 1.00 14.50 H new ATOM 0 HG21 THR A 86 0.783 1.480 -3.291 1.00 32.50 H new ATOM 0 HG22 THR A 86 0.942 -0.156 -3.972 1.00 32.50 H new ATOM 0 HG23 THR A 86 1.933 0.326 -2.575 1.00 32.50 H new ATOM 1359 N TYR A 87 2.223 -0.830 -6.589 1.00 22.51 N ATOM 1360 CA TYR A 87 1.478 -1.843 -7.327 1.00 21.41 C ATOM 1361 C TYR A 87 2.313 -3.106 -7.513 1.00 64.41 C ATOM 1362 O TYR A 87 1.776 -4.208 -7.629 1.00 5.41 O ATOM 1363 CB TYR A 87 1.047 -1.298 -8.690 1.00 4.05 C ATOM 1364 CG TYR A 87 1.642 -2.051 -9.858 1.00 52.55 C ATOM 1365 CD1 TYR A 87 1.065 -3.228 -10.318 1.00 21.01 C ATOM 1366 CD2 TYR A 87 2.780 -1.583 -10.504 1.00 61.21 C ATOM 1367 CE1 TYR A 87 1.605 -3.919 -11.385 1.00 64.10 C ATOM 1368 CE2 TYR A 87 3.327 -2.267 -11.573 1.00 15.00 C ATOM 1369 CZ TYR A 87 2.736 -3.435 -12.009 1.00 51.43 C ATOM 1370 OH TYR A 87 3.276 -4.119 -13.074 1.00 24.34 O ATOM 0 H TYR A 87 2.237 0.089 -7.031 1.00 22.51 H new ATOM 0 HA TYR A 87 0.590 -2.098 -6.748 1.00 21.41 H new ATOM 0 HB2 TYR A 87 -0.040 -1.336 -8.760 1.00 4.05 H new ATOM 0 HB3 TYR A 87 1.335 -0.249 -8.760 1.00 4.05 H new ATOM 0 HD1 TYR A 87 0.179 -3.609 -9.833 1.00 21.01 H new ATOM 0 HD2 TYR A 87 3.245 -0.669 -10.165 1.00 61.21 H new ATOM 0 HE1 TYR A 87 1.144 -4.833 -11.729 1.00 64.10 H new ATOM 0 HE2 TYR A 87 4.212 -1.890 -12.064 1.00 15.00 H new ATOM 0 HH TYR A 87 2.564 -4.591 -13.555 1.00 24.34 H new ATOM 1380 N ALA A 88 3.631 -2.938 -7.540 1.00 43.42 N ATOM 1381 CA ALA A 88 4.542 -4.063 -7.709 1.00 43.24 C ATOM 1382 C ALA A 88 4.420 -5.047 -6.551 1.00 2.10 C ATOM 1383 O ALA A 88 4.139 -6.228 -6.754 1.00 41.03 O ATOM 1384 CB ALA A 88 5.975 -3.567 -7.835 1.00 24.43 C ATOM 0 H ALA A 88 4.092 -2.033 -7.447 1.00 43.42 H new ATOM 0 HA ALA A 88 4.268 -4.586 -8.625 1.00 43.24 H new ATOM 0 HB1 ALA A 88 6.645 -4.418 -7.961 1.00 24.43 H new ATOM 0 HB2 ALA A 88 6.058 -2.909 -8.700 1.00 24.43 H new ATOM 0 HB3 ALA A 88 6.251 -3.018 -6.934 1.00 24.43 H new ATOM 1390 N SER A 89 4.634 -4.553 -5.336 1.00 10.23 N ATOM 1391 CA SER A 89 4.552 -5.390 -4.145 1.00 22.33 C ATOM 1392 C SER A 89 3.119 -5.460 -3.627 1.00 72.21 C ATOM 1393 O SER A 89 2.849 -6.073 -2.594 1.00 43.01 O ATOM 1394 CB SER A 89 5.476 -4.850 -3.051 1.00 54.11 C ATOM 1395 OG SER A 89 6.834 -4.921 -3.449 1.00 72.41 O ATOM 0 H SER A 89 4.866 -3.577 -5.150 1.00 10.23 H new ATOM 0 HA SER A 89 4.871 -6.396 -4.416 1.00 22.33 H new ATOM 0 HB2 SER A 89 5.213 -3.816 -2.826 1.00 54.11 H new ATOM 0 HB3 SER A 89 5.332 -5.422 -2.134 1.00 54.11 H new ATOM 0 HG SER A 89 7.403 -4.569 -2.734 1.00 72.41 H new ATOM 1401 N SER A 90 2.203 -4.827 -4.353 1.00 74.41 N ATOM 1402 CA SER A 90 0.797 -4.814 -3.967 1.00 13.35 C ATOM 1403 C SER A 90 -0.011 -5.788 -4.819 1.00 23.01 C ATOM 1404 O SER A 90 -1.006 -6.353 -4.364 1.00 4.22 O ATOM 1405 CB SER A 90 0.222 -3.402 -4.103 1.00 22.33 C ATOM 1406 OG SER A 90 0.548 -2.608 -2.975 1.00 71.11 O ATOM 0 H SER A 90 2.409 -4.317 -5.212 1.00 74.41 H new ATOM 0 HA SER A 90 0.730 -5.128 -2.925 1.00 13.35 H new ATOM 0 HB2 SER A 90 0.611 -2.933 -5.007 1.00 22.33 H new ATOM 0 HB3 SER A 90 -0.861 -3.456 -4.213 1.00 22.33 H new ATOM 0 HG SER A 90 1.419 -2.182 -3.115 1.00 71.11 H new ATOM 1412 N LYS A 91 0.425 -5.980 -6.059 1.00 71.33 N ATOM 1413 CA LYS A 91 -0.254 -6.887 -6.977 1.00 54.45 C ATOM 1414 C LYS A 91 -0.485 -8.247 -6.328 1.00 20.33 C ATOM 1415 O LYS A 91 -1.441 -8.950 -6.658 1.00 44.52 O ATOM 1416 CB LYS A 91 0.564 -7.054 -8.260 1.00 33.11 C ATOM 1417 CG LYS A 91 1.949 -7.632 -8.027 1.00 10.34 C ATOM 1418 CD LYS A 91 1.982 -9.127 -8.293 1.00 35.43 C ATOM 1419 CE LYS A 91 2.739 -9.871 -7.203 1.00 52.01 C ATOM 1420 NZ LYS A 91 3.803 -10.747 -7.766 1.00 44.35 N ATOM 0 H LYS A 91 1.246 -5.519 -6.452 1.00 71.33 H new ATOM 0 HA LYS A 91 -1.223 -6.454 -7.225 1.00 54.45 H new ATOM 0 HB2 LYS A 91 0.020 -7.703 -8.946 1.00 33.11 H new ATOM 0 HB3 LYS A 91 0.661 -6.084 -8.748 1.00 33.11 H new ATOM 0 HG2 LYS A 91 2.667 -7.130 -8.676 1.00 10.34 H new ATOM 0 HG3 LYS A 91 2.257 -7.438 -7.000 1.00 10.34 H new ATOM 0 HD2 LYS A 91 0.963 -9.509 -8.355 1.00 35.43 H new ATOM 0 HD3 LYS A 91 2.453 -9.316 -9.258 1.00 35.43 H new ATOM 0 HE2 LYS A 91 3.186 -9.152 -6.516 1.00 52.01 H new ATOM 0 HE3 LYS A 91 2.041 -10.475 -6.623 1.00 52.01 H new ATOM 0 HZ1 LYS A 91 4.296 -11.236 -6.992 1.00 44.35 H new ATOM 0 HZ2 LYS A 91 3.374 -11.449 -8.402 1.00 44.35 H new ATOM 0 HZ3 LYS A 91 4.484 -10.168 -8.298 1.00 44.35 H new ATOM 1434 N ASP A 92 0.395 -8.612 -5.402 1.00 31.31 N ATOM 1435 CA ASP A 92 0.285 -9.888 -4.704 1.00 5.02 C ATOM 1436 C ASP A 92 -1.102 -10.056 -4.093 1.00 53.10 C ATOM 1437 O ASP A 92 -1.587 -11.175 -3.928 1.00 12.22 O ATOM 1438 CB ASP A 92 1.352 -9.990 -3.612 1.00 43.45 C ATOM 1439 CG ASP A 92 1.841 -11.411 -3.411 1.00 15.44 C ATOM 1440 OD1 ASP A 92 2.583 -11.912 -4.281 1.00 0.55 O ATOM 1441 OD2 ASP A 92 1.479 -12.022 -2.383 1.00 64.22 O ATOM 0 H ASP A 92 1.192 -8.043 -5.117 1.00 31.31 H new ATOM 0 HA ASP A 92 0.441 -10.685 -5.430 1.00 5.02 H new ATOM 0 HB2 ASP A 92 2.196 -9.352 -3.872 1.00 43.45 H new ATOM 0 HB3 ASP A 92 0.945 -9.613 -2.674 1.00 43.45 H new ATOM 1446 N ALA A 93 -1.736 -8.936 -3.759 1.00 25.32 N ATOM 1447 CA ALA A 93 -3.068 -8.959 -3.167 1.00 65.53 C ATOM 1448 C ALA A 93 -4.146 -8.821 -4.237 1.00 3.33 C ATOM 1449 O ALA A 93 -5.050 -9.652 -4.333 1.00 10.53 O ATOM 1450 CB ALA A 93 -3.204 -7.854 -2.131 1.00 11.11 C ATOM 0 H ALA A 93 -1.348 -8.002 -3.889 1.00 25.32 H new ATOM 0 HA ALA A 93 -3.204 -9.922 -2.674 1.00 65.53 H new ATOM 0 HB1 ALA A 93 -4.204 -7.883 -1.697 1.00 11.11 H new ATOM 0 HB2 ALA A 93 -2.463 -7.999 -1.345 1.00 11.11 H new ATOM 0 HB3 ALA A 93 -3.043 -6.887 -2.607 1.00 11.11 H new ATOM 1456 N LEU A 94 -4.045 -7.766 -5.038 1.00 62.34 N ATOM 1457 CA LEU A 94 -5.012 -7.518 -6.102 1.00 34.24 C ATOM 1458 C LEU A 94 -5.257 -8.781 -6.921 1.00 21.20 C ATOM 1459 O LEU A 94 -6.396 -9.226 -7.071 1.00 64.11 O ATOM 1460 CB LEU A 94 -4.521 -6.392 -7.013 1.00 63.40 C ATOM 1461 CG LEU A 94 -4.603 -4.978 -6.437 1.00 74.24 C ATOM 1462 CD1 LEU A 94 -5.967 -4.737 -5.809 1.00 51.52 C ATOM 1463 CD2 LEU A 94 -3.497 -4.752 -5.418 1.00 2.23 C ATOM 0 H LEU A 94 -3.304 -7.069 -4.971 1.00 62.34 H new ATOM 0 HA LEU A 94 -5.953 -7.219 -5.641 1.00 34.24 H new ATOM 0 HB2 LEU A 94 -3.484 -6.594 -7.280 1.00 63.40 H new ATOM 0 HB3 LEU A 94 -5.099 -6.421 -7.936 1.00 63.40 H new ATOM 0 HG LEU A 94 -4.469 -4.266 -7.251 1.00 74.24 H new ATOM 0 HD11 LEU A 94 -6.008 -3.726 -5.404 1.00 51.52 H new ATOM 0 HD12 LEU A 94 -6.742 -4.856 -6.566 1.00 51.52 H new ATOM 0 HD13 LEU A 94 -6.130 -5.456 -5.006 1.00 51.52 H new ATOM 0 HD21 LEU A 94 -3.571 -3.740 -5.019 1.00 2.23 H new ATOM 0 HD22 LEU A 94 -3.599 -5.471 -4.605 1.00 2.23 H new ATOM 0 HD23 LEU A 94 -2.527 -4.882 -5.899 1.00 2.23 H new ATOM 1475 N LEU A 95 -4.181 -9.356 -7.447 1.00 51.15 N ATOM 1476 CA LEU A 95 -4.278 -10.570 -8.250 1.00 61.22 C ATOM 1477 C LEU A 95 -4.843 -11.723 -7.427 1.00 73.43 C ATOM 1478 O LEU A 95 -5.490 -12.624 -7.962 1.00 55.35 O ATOM 1479 CB LEU A 95 -2.904 -10.950 -8.804 1.00 45.33 C ATOM 1480 CG LEU A 95 -2.588 -10.453 -10.216 1.00 33.03 C ATOM 1481 CD1 LEU A 95 -1.098 -10.190 -10.369 1.00 13.24 C ATOM 1482 CD2 LEU A 95 -3.063 -11.459 -11.254 1.00 33.33 C ATOM 0 H LEU A 95 -3.232 -9.001 -7.332 1.00 51.15 H new ATOM 0 HA LEU A 95 -4.956 -10.373 -9.080 1.00 61.22 H new ATOM 0 HB2 LEU A 95 -2.142 -10.565 -8.126 1.00 45.33 H new ATOM 0 HB3 LEU A 95 -2.819 -12.037 -8.795 1.00 45.33 H new ATOM 0 HG LEU A 95 -3.120 -9.515 -10.378 1.00 33.03 H new ATOM 0 HD11 LEU A 95 -0.893 -9.837 -11.380 1.00 13.24 H new ATOM 0 HD12 LEU A 95 -0.787 -9.432 -9.650 1.00 13.24 H new ATOM 0 HD13 LEU A 95 -0.545 -11.112 -10.187 1.00 13.24 H new ATOM 0 HD21 LEU A 95 -2.830 -11.089 -12.252 1.00 33.33 H new ATOM 0 HD22 LEU A 95 -2.560 -12.412 -11.094 1.00 33.33 H new ATOM 0 HD23 LEU A 95 -4.140 -11.597 -11.160 1.00 33.33 H new ATOM 1494 N LYS A 96 -4.596 -11.689 -6.122 1.00 54.22 N ATOM 1495 CA LYS A 96 -5.083 -12.728 -5.223 1.00 71.42 C ATOM 1496 C LYS A 96 -6.532 -12.468 -4.824 1.00 1.55 C ATOM 1497 O LYS A 96 -7.188 -13.325 -4.231 1.00 64.04 O ATOM 1498 CB LYS A 96 -4.204 -12.803 -3.973 1.00 64.10 C ATOM 1499 CG LYS A 96 -3.090 -13.831 -4.074 1.00 3.34 C ATOM 1500 CD LYS A 96 -2.240 -13.612 -5.314 1.00 62.30 C ATOM 1501 CE LYS A 96 -2.702 -14.489 -6.468 1.00 24.43 C ATOM 1502 NZ LYS A 96 -1.554 -15.097 -7.196 1.00 61.23 N ATOM 0 H LYS A 96 -4.061 -10.952 -5.663 1.00 54.22 H new ATOM 0 HA LYS A 96 -5.036 -13.681 -5.750 1.00 71.42 H new ATOM 0 HB2 LYS A 96 -3.766 -11.822 -3.787 1.00 64.10 H new ATOM 0 HB3 LYS A 96 -4.830 -13.041 -3.113 1.00 64.10 H new ATOM 0 HG2 LYS A 96 -2.461 -13.775 -3.186 1.00 3.34 H new ATOM 0 HG3 LYS A 96 -3.519 -14.833 -4.098 1.00 3.34 H new ATOM 0 HD2 LYS A 96 -2.289 -12.564 -5.610 1.00 62.30 H new ATOM 0 HD3 LYS A 96 -1.197 -13.830 -5.085 1.00 62.30 H new ATOM 0 HE2 LYS A 96 -3.350 -15.279 -6.087 1.00 24.43 H new ATOM 0 HE3 LYS A 96 -3.297 -13.894 -7.161 1.00 24.43 H new ATOM 0 HZ1 LYS A 96 -1.910 -15.687 -7.975 1.00 61.23 H new ATOM 0 HZ2 LYS A 96 -0.949 -14.344 -7.581 1.00 61.23 H new ATOM 0 HZ3 LYS A 96 -1.000 -15.685 -6.541 1.00 61.23 H new ATOM 1516 N LYS A 97 -7.027 -11.279 -5.152 1.00 43.01 N ATOM 1517 CA LYS A 97 -8.399 -10.905 -4.830 1.00 62.43 C ATOM 1518 C LYS A 97 -9.345 -11.281 -5.966 1.00 15.21 C ATOM 1519 O LYS A 97 -10.462 -11.744 -5.730 1.00 12.25 O ATOM 1520 CB LYS A 97 -8.488 -9.403 -4.553 1.00 75.01 C ATOM 1521 CG LYS A 97 -8.475 -9.055 -3.075 1.00 23.54 C ATOM 1522 CD LYS A 97 -7.318 -9.728 -2.354 1.00 71.14 C ATOM 1523 CE LYS A 97 -7.811 -10.744 -1.335 1.00 51.40 C ATOM 1524 NZ LYS A 97 -6.688 -11.513 -0.730 1.00 53.54 N ATOM 0 H LYS A 97 -6.498 -10.557 -5.641 1.00 43.01 H new ATOM 0 HA LYS A 97 -8.698 -11.451 -3.935 1.00 62.43 H new ATOM 0 HB2 LYS A 97 -7.653 -8.902 -5.043 1.00 75.01 H new ATOM 0 HB3 LYS A 97 -9.402 -9.013 -5.001 1.00 75.01 H new ATOM 0 HG2 LYS A 97 -8.400 -7.974 -2.955 1.00 23.54 H new ATOM 0 HG3 LYS A 97 -9.417 -9.362 -2.620 1.00 23.54 H new ATOM 0 HD2 LYS A 97 -6.674 -10.223 -3.081 1.00 71.14 H new ATOM 0 HD3 LYS A 97 -6.712 -8.973 -1.853 1.00 71.14 H new ATOM 0 HE2 LYS A 97 -8.365 -10.231 -0.549 1.00 51.40 H new ATOM 0 HE3 LYS A 97 -8.505 -11.433 -1.816 1.00 51.40 H new ATOM 0 HZ1 LYS A 97 -7.045 -12.083 0.063 1.00 53.54 H new ATOM 0 HZ2 LYS A 97 -6.271 -12.140 -1.447 1.00 53.54 H new ATOM 0 HZ3 LYS A 97 -5.963 -10.853 -0.383 1.00 53.54 H new ATOM 1538 N LEU A 98 -8.892 -11.080 -7.198 1.00 74.14 N ATOM 1539 CA LEU A 98 -9.699 -11.399 -8.371 1.00 62.25 C ATOM 1540 C LEU A 98 -10.103 -12.870 -8.371 1.00 11.05 C ATOM 1541 O LEU A 98 -9.829 -13.599 -7.417 1.00 44.11 O ATOM 1542 CB LEU A 98 -8.926 -11.072 -9.650 1.00 50.24 C ATOM 1543 CG LEU A 98 -8.268 -9.693 -9.702 1.00 41.54 C ATOM 1544 CD1 LEU A 98 -6.969 -9.750 -10.491 1.00 70.33 C ATOM 1545 CD2 LEU A 98 -9.218 -8.671 -10.310 1.00 10.21 C ATOM 0 H LEU A 98 -7.971 -10.698 -7.411 1.00 74.14 H new ATOM 0 HA LEU A 98 -10.604 -10.792 -8.334 1.00 62.25 H new ATOM 0 HB2 LEU A 98 -8.152 -11.827 -9.786 1.00 50.24 H new ATOM 0 HB3 LEU A 98 -9.608 -11.159 -10.495 1.00 50.24 H new ATOM 0 HG LEU A 98 -8.037 -9.384 -8.683 1.00 41.54 H new ATOM 0 HD11 LEU A 98 -6.515 -8.759 -10.517 1.00 70.33 H new ATOM 0 HD12 LEU A 98 -6.284 -10.450 -10.014 1.00 70.33 H new ATOM 0 HD13 LEU A 98 -7.176 -10.081 -11.509 1.00 70.33 H new ATOM 0 HD21 LEU A 98 -8.733 -7.695 -10.339 1.00 10.21 H new ATOM 0 HD22 LEU A 98 -9.481 -8.976 -11.323 1.00 10.21 H new ATOM 0 HD23 LEU A 98 -10.122 -8.609 -9.704 1.00 10.21 H new ATOM 1557 N ASP A 99 -10.755 -13.300 -9.446 1.00 4.45 N ATOM 1558 CA ASP A 99 -11.194 -14.685 -9.571 1.00 1.44 C ATOM 1559 C ASP A 99 -10.787 -15.264 -10.922 1.00 11.20 C ATOM 1560 O ASP A 99 -11.417 -14.989 -11.942 1.00 15.51 O ATOM 1561 CB ASP A 99 -12.711 -14.779 -9.397 1.00 44.53 C ATOM 1562 CG ASP A 99 -13.153 -14.453 -7.984 1.00 51.33 C ATOM 1563 OD1 ASP A 99 -12.769 -13.379 -7.476 1.00 31.15 O ATOM 1564 OD2 ASP A 99 -13.883 -15.272 -7.387 1.00 2.21 O ATOM 0 H ASP A 99 -10.991 -12.709 -10.243 1.00 4.45 H new ATOM 0 HA ASP A 99 -10.710 -15.266 -8.786 1.00 1.44 H new ATOM 0 HB2 ASP A 99 -13.197 -14.095 -10.093 1.00 44.53 H new ATOM 0 HB3 ASP A 99 -13.042 -15.785 -9.655 1.00 44.53 H new ATOM 1569 N GLY A 100 -9.728 -16.067 -10.921 1.00 64.32 N ATOM 1570 CA GLY A 100 -9.254 -16.672 -12.153 1.00 0.53 C ATOM 1571 C GLY A 100 -8.254 -15.796 -12.881 1.00 52.52 C ATOM 1572 O GLY A 100 -7.883 -16.081 -14.019 1.00 44.52 O ATOM 0 H GLY A 100 -9.189 -16.310 -10.090 1.00 64.32 H new ATOM 0 HA2 GLY A 100 -8.794 -17.634 -11.928 1.00 0.53 H new ATOM 0 HA3 GLY A 100 -10.103 -16.870 -12.807 1.00 0.53 H new ATOM 1576 N ALA A 101 -7.819 -14.725 -12.225 1.00 22.23 N ATOM 1577 CA ALA A 101 -6.856 -13.805 -12.817 1.00 51.00 C ATOM 1578 C ALA A 101 -5.507 -14.483 -13.028 1.00 64.11 C ATOM 1579 O ALA A 101 -4.755 -14.704 -12.078 1.00 33.43 O ATOM 1580 CB ALA A 101 -6.698 -12.571 -11.941 1.00 64.01 C ATOM 0 H ALA A 101 -8.119 -14.473 -11.283 1.00 22.23 H new ATOM 0 HA ALA A 101 -7.235 -13.499 -13.792 1.00 51.00 H new ATOM 0 HB1 ALA A 101 -5.976 -11.892 -12.395 1.00 64.01 H new ATOM 0 HB2 ALA A 101 -7.660 -12.067 -11.846 1.00 64.01 H new ATOM 0 HB3 ALA A 101 -6.345 -12.869 -10.954 1.00 64.01 H new ATOM 1586 N THR A 102 -5.204 -14.812 -14.280 1.00 72.12 N ATOM 1587 CA THR A 102 -3.946 -15.467 -14.616 1.00 11.12 C ATOM 1588 C THR A 102 -2.825 -14.448 -14.790 1.00 35.31 C ATOM 1589 O THR A 102 -2.988 -13.272 -14.469 1.00 12.52 O ATOM 1590 CB THR A 102 -4.073 -16.299 -15.906 1.00 23.55 C ATOM 1591 OG1 THR A 102 -4.072 -15.436 -17.048 1.00 22.20 O ATOM 1592 CG2 THR A 102 -5.348 -17.129 -15.891 1.00 42.13 C ATOM 0 H THR A 102 -5.813 -14.635 -15.079 1.00 72.12 H new ATOM 0 HA THR A 102 -3.704 -16.131 -13.786 1.00 11.12 H new ATOM 0 HB THR A 102 -3.219 -16.975 -15.962 1.00 23.55 H new ATOM 0 HG1 THR A 102 -4.151 -15.973 -17.864 1.00 22.20 H new ATOM 0 HG21 THR A 102 -5.416 -17.708 -16.812 1.00 42.13 H new ATOM 0 HG22 THR A 102 -5.331 -17.806 -15.037 1.00 42.13 H new ATOM 0 HG23 THR A 102 -6.211 -16.468 -15.813 1.00 42.13 H new ATOM 1600 N ALA A 103 -1.688 -14.908 -15.301 1.00 32.31 N ATOM 1601 CA ALA A 103 -0.541 -14.036 -15.520 1.00 52.13 C ATOM 1602 C ALA A 103 -0.590 -13.404 -16.907 1.00 43.51 C ATOM 1603 O ALA A 103 0.406 -12.863 -17.389 1.00 72.01 O ATOM 1604 CB ALA A 103 0.755 -14.812 -15.337 1.00 13.32 C ATOM 0 H ALA A 103 -1.537 -15.880 -15.571 1.00 32.31 H new ATOM 0 HA ALA A 103 -0.579 -13.235 -14.782 1.00 52.13 H new ATOM 0 HB1 ALA A 103 1.603 -14.148 -15.504 1.00 13.32 H new ATOM 0 HB2 ALA A 103 0.800 -15.211 -14.324 1.00 13.32 H new ATOM 0 HB3 ALA A 103 0.791 -15.634 -16.052 1.00 13.32 H new ATOM 1610 N VAL A 104 -1.754 -13.475 -17.545 1.00 21.32 N ATOM 1611 CA VAL A 104 -1.932 -12.909 -18.877 1.00 31.54 C ATOM 1612 C VAL A 104 -1.992 -11.387 -18.823 1.00 63.04 C ATOM 1613 O VAL A 104 -2.076 -10.723 -19.856 1.00 1.53 O ATOM 1614 CB VAL A 104 -3.215 -13.439 -19.545 1.00 22.44 C ATOM 1615 CG1 VAL A 104 -4.448 -12.923 -18.819 1.00 4.23 C ATOM 1616 CG2 VAL A 104 -3.249 -13.050 -21.015 1.00 33.23 C ATOM 0 H VAL A 104 -2.588 -13.919 -17.161 1.00 21.32 H new ATOM 0 HA VAL A 104 -1.070 -13.215 -19.469 1.00 31.54 H new ATOM 0 HB VAL A 104 -3.215 -14.527 -19.481 1.00 22.44 H new ATOM 0 HG11 VAL A 104 -5.344 -13.308 -19.305 1.00 4.23 H new ATOM 0 HG12 VAL A 104 -4.426 -13.257 -17.782 1.00 4.23 H new ATOM 0 HG13 VAL A 104 -4.459 -11.833 -18.849 1.00 4.23 H new ATOM 0 HG21 VAL A 104 -4.162 -13.432 -21.472 1.00 33.23 H new ATOM 0 HG22 VAL A 104 -3.226 -11.964 -21.105 1.00 33.23 H new ATOM 0 HG23 VAL A 104 -2.384 -13.475 -21.524 1.00 33.23 H new ATOM 1626 N ALA A 105 -1.947 -10.841 -17.613 1.00 1.42 N ATOM 1627 CA ALA A 105 -1.993 -9.396 -17.425 1.00 11.14 C ATOM 1628 C ALA A 105 -0.860 -8.708 -18.177 1.00 44.44 C ATOM 1629 O ALA A 105 0.097 -9.354 -18.606 1.00 25.04 O ATOM 1630 CB ALA A 105 -1.929 -9.054 -15.943 1.00 73.33 C ATOM 0 H ALA A 105 -1.879 -11.377 -16.748 1.00 1.42 H new ATOM 0 HA ALA A 105 -2.937 -9.032 -17.831 1.00 11.14 H new ATOM 0 HB1 ALA A 105 -1.964 -7.972 -15.817 1.00 73.33 H new ATOM 0 HB2 ALA A 105 -2.776 -9.507 -15.428 1.00 73.33 H new ATOM 0 HB3 ALA A 105 -1.000 -9.438 -15.521 1.00 73.33 H new ATOM 1636 N LEU A 106 -0.974 -7.394 -18.336 1.00 44.34 N ATOM 1637 CA LEU A 106 0.042 -6.617 -19.039 1.00 21.11 C ATOM 1638 C LEU A 106 0.309 -5.297 -18.324 1.00 2.43 C ATOM 1639 O LEU A 106 -0.613 -4.655 -17.822 1.00 3.51 O ATOM 1640 CB LEU A 106 -0.398 -6.350 -20.479 1.00 62.15 C ATOM 1641 CG LEU A 106 0.236 -5.137 -21.161 1.00 2.22 C ATOM 1642 CD1 LEU A 106 1.743 -5.313 -21.272 1.00 34.44 C ATOM 1643 CD2 LEU A 106 -0.379 -4.915 -22.535 1.00 11.22 C ATOM 0 H LEU A 106 -1.759 -6.844 -17.988 1.00 44.34 H new ATOM 0 HA LEU A 106 0.965 -7.197 -19.049 1.00 21.11 H new ATOM 0 HB2 LEU A 106 -0.175 -7.235 -21.076 1.00 62.15 H new ATOM 0 HB3 LEU A 106 -1.481 -6.223 -20.489 1.00 62.15 H new ATOM 0 HG LEU A 106 0.038 -4.257 -20.550 1.00 2.22 H new ATOM 0 HD11 LEU A 106 2.176 -4.440 -21.760 1.00 34.44 H new ATOM 0 HD12 LEU A 106 2.171 -5.422 -20.275 1.00 34.44 H new ATOM 0 HD13 LEU A 106 1.963 -6.204 -21.860 1.00 34.44 H new ATOM 0 HD21 LEU A 106 0.084 -4.048 -23.005 1.00 11.22 H new ATOM 0 HD22 LEU A 106 -0.213 -5.796 -23.155 1.00 11.22 H new ATOM 0 HD23 LEU A 106 -1.450 -4.742 -22.431 1.00 11.22 H new ATOM 1655 N GLU A 107 1.577 -4.897 -18.283 1.00 75.13 N ATOM 1656 CA GLU A 107 1.964 -3.652 -17.631 1.00 12.04 C ATOM 1657 C GLU A 107 3.082 -2.958 -18.403 1.00 24.04 C ATOM 1658 O GLU A 107 4.249 -3.335 -18.298 1.00 42.41 O ATOM 1659 CB GLU A 107 2.413 -3.922 -16.193 1.00 72.00 C ATOM 1660 CG GLU A 107 3.519 -4.958 -16.085 1.00 45.34 C ATOM 1661 CD GLU A 107 4.803 -4.383 -15.519 1.00 43.11 C ATOM 1662 OE1 GLU A 107 5.070 -3.185 -15.753 1.00 64.52 O ATOM 1663 OE2 GLU A 107 5.541 -5.130 -14.843 1.00 13.44 O ATOM 0 H GLU A 107 2.352 -5.417 -18.693 1.00 75.13 H new ATOM 0 HA GLU A 107 1.095 -2.994 -17.615 1.00 12.04 H new ATOM 0 HB2 GLU A 107 2.756 -2.988 -15.747 1.00 72.00 H new ATOM 0 HB3 GLU A 107 1.555 -4.257 -15.610 1.00 72.00 H new ATOM 0 HG2 GLU A 107 3.182 -5.779 -15.452 1.00 45.34 H new ATOM 0 HG3 GLU A 107 3.717 -5.377 -17.072 1.00 45.34 H new ATOM 1670 N ALA A 108 2.716 -1.943 -19.178 1.00 44.40 N ATOM 1671 CA ALA A 108 3.688 -1.195 -19.967 1.00 11.14 C ATOM 1672 C ALA A 108 3.331 0.287 -20.016 1.00 71.21 C ATOM 1673 O ALA A 108 2.169 0.661 -19.857 1.00 54.43 O ATOM 1674 CB ALA A 108 3.777 -1.766 -21.374 1.00 54.21 C ATOM 0 H ALA A 108 1.754 -1.619 -19.277 1.00 44.40 H new ATOM 0 HA ALA A 108 4.661 -1.291 -19.486 1.00 11.14 H new ATOM 0 HB1 ALA A 108 4.506 -1.198 -21.952 1.00 54.21 H new ATOM 0 HB2 ALA A 108 4.087 -2.810 -21.324 1.00 54.21 H new ATOM 0 HB3 ALA A 108 2.802 -1.700 -21.856 1.00 54.21 H new ATOM 1680 N HIS A 109 4.338 1.126 -20.237 1.00 13.32 N ATOM 1681 CA HIS A 109 4.129 2.568 -20.307 1.00 43.30 C ATOM 1682 C HIS A 109 4.305 3.074 -21.736 1.00 24.32 C ATOM 1683 O HIS A 109 5.428 3.260 -22.204 1.00 1.25 O ATOM 1684 CB HIS A 109 5.102 3.291 -19.374 1.00 55.45 C ATOM 1685 CG HIS A 109 6.516 2.815 -19.498 1.00 42.42 C ATOM 1686 ND1 HIS A 109 7.464 3.464 -20.261 1.00 25.12 N ATOM 1687 CD2 HIS A 109 7.142 1.748 -18.949 1.00 45.42 C ATOM 1688 CE1 HIS A 109 8.612 2.815 -20.177 1.00 44.40 C ATOM 1689 NE2 HIS A 109 8.444 1.771 -19.387 1.00 30.34 N ATOM 0 H HIS A 109 5.306 0.833 -20.371 1.00 13.32 H new ATOM 0 HA HIS A 109 3.108 2.778 -19.989 1.00 43.30 H new ATOM 0 HB2 HIS A 109 5.067 4.360 -19.584 1.00 55.45 H new ATOM 0 HB3 HIS A 109 4.772 3.158 -18.344 1.00 55.45 H new ATOM 0 HD2 HIS A 109 6.700 1.015 -18.290 1.00 45.42 H new ATOM 0 HE1 HIS A 109 9.532 3.092 -20.671 1.00 44.40 H new ATOM 0 HE2 HIS A 109 9.164 1.092 -19.142 1.00 30.34 H new ATOM 1697 N GLU A 110 3.189 3.292 -22.423 1.00 54.11 N ATOM 1698 CA GLU A 110 3.221 3.774 -23.799 1.00 1.21 C ATOM 1699 C GLU A 110 1.863 4.336 -24.211 1.00 4.24 C ATOM 1700 O GLU A 110 0.881 4.211 -23.480 1.00 51.32 O ATOM 1701 CB GLU A 110 3.627 2.646 -24.749 1.00 25.53 C ATOM 1702 CG GLU A 110 2.974 1.313 -24.425 1.00 72.41 C ATOM 1703 CD GLU A 110 3.057 0.328 -25.575 1.00 21.41 C ATOM 1704 OE1 GLU A 110 2.679 0.700 -26.705 1.00 12.41 O ATOM 1705 OE2 GLU A 110 3.501 -0.817 -25.344 1.00 2.31 O ATOM 0 H GLU A 110 2.252 3.143 -22.050 1.00 54.11 H new ATOM 0 HA GLU A 110 3.959 4.574 -23.859 1.00 1.21 H new ATOM 0 HB2 GLU A 110 3.367 2.930 -25.769 1.00 25.53 H new ATOM 0 HB3 GLU A 110 4.710 2.528 -24.717 1.00 25.53 H new ATOM 0 HG2 GLU A 110 3.454 0.882 -23.547 1.00 72.41 H new ATOM 0 HG3 GLU A 110 1.928 1.478 -24.168 1.00 72.41 H new ATOM 1712 N MET A 111 1.818 4.956 -25.385 1.00 72.14 N ATOM 1713 CA MET A 111 0.581 5.537 -25.895 1.00 60.21 C ATOM 1714 C MET A 111 -0.279 4.475 -26.574 1.00 2.41 C ATOM 1715 O MET A 111 -1.504 4.579 -26.600 1.00 34.24 O ATOM 1716 CB MET A 111 0.891 6.666 -26.880 1.00 73.42 C ATOM 1717 CG MET A 111 -0.322 7.136 -27.666 1.00 74.02 C ATOM 1718 SD MET A 111 0.029 8.579 -28.688 1.00 1.50 S ATOM 1719 CE MET A 111 -0.891 9.844 -27.815 1.00 51.21 C ATOM 0 H MET A 111 2.623 5.069 -26.001 1.00 72.14 H new ATOM 0 HA MET A 111 0.025 5.944 -25.051 1.00 60.21 H new ATOM 0 HB2 MET A 111 1.308 7.511 -26.332 1.00 73.42 H new ATOM 0 HB3 MET A 111 1.657 6.328 -27.578 1.00 73.42 H new ATOM 0 HG2 MET A 111 -0.676 6.324 -28.301 1.00 74.02 H new ATOM 0 HG3 MET A 111 -1.129 7.374 -26.973 1.00 74.02 H new ATOM 0 HE1 MET A 111 -0.773 10.799 -28.327 1.00 51.21 H new ATOM 0 HE2 MET A 111 -1.947 9.574 -27.790 1.00 51.21 H new ATOM 0 HE3 MET A 111 -0.514 9.930 -26.796 1.00 51.21 H new ATOM 1729 N GLY A 112 0.373 3.455 -27.123 1.00 74.44 N ATOM 1730 CA GLY A 112 -0.349 2.390 -27.795 1.00 62.42 C ATOM 1731 C GLY A 112 -1.204 1.578 -26.843 1.00 14.33 C ATOM 1732 O GLY A 112 -2.045 0.788 -27.272 1.00 62.23 O ATOM 0 H GLY A 112 1.387 3.347 -27.115 1.00 74.44 H new ATOM 0 HA2 GLY A 112 -0.982 2.819 -28.572 1.00 62.42 H new ATOM 0 HA3 GLY A 112 0.362 1.730 -28.292 1.00 62.42 H new ATOM 1736 N ASP A 113 -0.990 1.772 -25.546 1.00 41.11 N ATOM 1737 CA ASP A 113 -1.748 1.052 -24.530 1.00 23.44 C ATOM 1738 C ASP A 113 -3.247 1.257 -24.723 1.00 30.45 C ATOM 1739 O ASP A 113 -4.047 0.362 -24.446 1.00 74.03 O ATOM 1740 CB ASP A 113 -1.333 1.513 -23.132 1.00 30.35 C ATOM 1741 CG ASP A 113 -1.876 0.612 -22.040 1.00 32.41 C ATOM 1742 OD1 ASP A 113 -1.344 -0.506 -21.873 1.00 4.35 O ATOM 1743 OD2 ASP A 113 -2.833 1.024 -21.352 1.00 55.15 O ATOM 0 H ASP A 113 -0.298 2.422 -25.174 1.00 41.11 H new ATOM 0 HA ASP A 113 -1.529 -0.011 -24.634 1.00 23.44 H new ATOM 0 HB2 ASP A 113 -0.245 1.540 -23.069 1.00 30.35 H new ATOM 0 HB3 ASP A 113 -1.687 2.531 -22.968 1.00 30.35 H new ATOM 1748 N LEU A 114 -3.621 2.440 -25.197 1.00 21.21 N ATOM 1749 CA LEU A 114 -5.025 2.763 -25.426 1.00 2.30 C ATOM 1750 C LEU A 114 -5.292 3.011 -26.907 1.00 42.41 C ATOM 1751 O LEU A 114 -6.333 3.552 -27.278 1.00 72.22 O ATOM 1752 CB LEU A 114 -5.424 3.995 -24.611 1.00 34.51 C ATOM 1753 CG LEU A 114 -4.368 5.094 -24.495 1.00 14.33 C ATOM 1754 CD1 LEU A 114 -5.017 6.468 -24.576 1.00 23.41 C ATOM 1755 CD2 LEU A 114 -3.586 4.948 -23.198 1.00 31.33 C ATOM 0 H LEU A 114 -2.972 3.191 -25.430 1.00 21.21 H new ATOM 0 HA LEU A 114 -5.626 1.912 -25.105 1.00 2.30 H new ATOM 0 HB2 LEU A 114 -6.320 4.426 -25.057 1.00 34.51 H new ATOM 0 HB3 LEU A 114 -5.693 3.670 -23.606 1.00 34.51 H new ATOM 0 HG LEU A 114 -3.673 4.993 -25.328 1.00 14.33 H new ATOM 0 HD11 LEU A 114 -4.250 7.238 -24.492 1.00 23.41 H new ATOM 0 HD12 LEU A 114 -5.532 6.572 -25.531 1.00 23.41 H new ATOM 0 HD13 LEU A 114 -5.735 6.580 -23.763 1.00 23.41 H new ATOM 0 HD21 LEU A 114 -2.839 5.739 -23.133 1.00 31.33 H new ATOM 0 HD22 LEU A 114 -4.268 5.023 -22.351 1.00 31.33 H new ATOM 0 HD23 LEU A 114 -3.090 3.978 -23.180 1.00 31.33 H new