USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 MET CE :methyl -147:sc= -5.95! (180deg=-7.21!) USER MOD Set 1.2: A 57 MET CE :methyl -175:sc= -3.14 (180deg=-3.14) USER MOD Set 2.1: A 22 HIS :FLIP no HE2:sc= -6.83! C(o=-8.2!,f=-7.3!) USER MOD Set 2.2: A 24 SER OG : rot 131:sc= 1.1 USER MOD Set 2.3: A 48 MET CE :methyl -146:sc= -1.62 (180deg=-0.0317) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 7 CYS SG : rot -142:sc= -0.0314 USER MOD Single : A 9 CYS SG : rot -132:sc= 0.736 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0754 K(o=-0.075,f=-1.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 120:sc= -1.68 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.22 X(o=-3.2,f=-3!) USER MOD Single : A 32 THR OG1 : rot -71:sc= 1.07 USER MOD Single : A 34 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.48) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0128 F(o=-1.1,f=-0.013) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -5.4 F(o=-6.8,f=-5.4) USER MOD Single : A 43 GLN :FLIP amide:sc= -2.74! C(o=-3.8!,f=-2.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.006) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -179:sc= -1.27! USER MOD Single : A 73 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.47) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 80 SER OG : rot -41:sc= 0.0289 USER MOD Single : A 81 MET CE :methyl 162:sc= -1.45 (180deg=-2.59!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.216 -0.353 18.514 1.00 50.25 N ATOM 2 CA ALA A 2 -14.248 0.516 17.857 1.00 42.44 C ATOM 3 C ALA A 2 -12.825 0.006 18.060 1.00 12.44 C ATOM 4 O ALA A 2 -12.422 -0.304 19.181 1.00 22.42 O ATOM 5 CB ALA A 2 -14.379 1.941 18.376 1.00 75.43 C ATOM 0 HA ALA A 2 -14.459 0.510 16.788 1.00 42.44 H new ATOM 0 HB1 ALA A 2 -13.650 2.579 17.876 1.00 75.43 H new ATOM 0 HB2 ALA A 2 -15.384 2.311 18.173 1.00 75.43 H new ATOM 0 HB3 ALA A 2 -14.197 1.955 19.451 1.00 75.43 H new ATOM 11 N ARG A 3 -12.070 -0.078 16.970 1.00 1.31 N ATOM 12 CA ARG A 3 -10.693 -0.552 17.030 1.00 64.24 C ATOM 13 C ARG A 3 -9.897 -0.064 15.823 1.00 61.45 C ATOM 14 O ARG A 3 -10.466 0.244 14.776 1.00 72.10 O ATOM 15 CB ARG A 3 -10.659 -2.080 17.092 1.00 35.40 C ATOM 16 CG ARG A 3 -9.725 -2.626 18.159 1.00 30.23 C ATOM 17 CD ARG A 3 -8.873 -3.766 17.623 1.00 4.15 C ATOM 18 NE ARG A 3 -9.619 -5.019 17.549 1.00 24.20 N ATOM 19 CZ ARG A 3 -9.056 -6.195 17.295 1.00 21.44 C ATOM 20 NH1 ARG A 3 -7.748 -6.279 17.093 1.00 12.45 N ATOM 21 NH2 ARG A 3 -9.802 -7.292 17.244 1.00 43.31 N ATOM 0 H ARG A 3 -12.389 0.176 16.035 1.00 1.31 H new ATOM 0 HA ARG A 3 -10.236 -0.148 17.933 1.00 64.24 H new ATOM 0 HB2 ARG A 3 -11.667 -2.450 17.280 1.00 35.40 H new ATOM 0 HB3 ARG A 3 -10.353 -2.468 16.120 1.00 35.40 H new ATOM 0 HG2 ARG A 3 -9.079 -1.827 18.522 1.00 30.23 H new ATOM 0 HG3 ARG A 3 -10.309 -2.976 19.011 1.00 30.23 H new ATOM 0 HD2 ARG A 3 -8.502 -3.506 16.632 1.00 4.15 H new ATOM 0 HD3 ARG A 3 -8.002 -3.900 18.264 1.00 4.15 H new ATOM 0 HE ARG A 3 -10.627 -4.990 17.701 1.00 24.20 H new ATOM 0 HH11 ARG A 3 -7.171 -5.439 17.132 1.00 12.45 H new ATOM 0 HH12 ARG A 3 -7.319 -7.184 16.898 1.00 12.45 H new ATOM 0 HH21 ARG A 3 -10.808 -7.232 17.400 1.00 43.31 H new ATOM 0 HH22 ARG A 3 -9.369 -8.195 17.049 1.00 43.31 H new ATOM 35 N GLN A 4 -8.579 0.003 15.977 1.00 25.13 N ATOM 36 CA GLN A 4 -7.706 0.454 14.900 1.00 5.42 C ATOM 37 C GLN A 4 -7.004 -0.726 14.237 1.00 75.45 C ATOM 38 O GLN A 4 -6.700 -1.726 14.887 1.00 72.52 O ATOM 39 CB GLN A 4 -6.668 1.443 15.436 1.00 34.22 C ATOM 40 CG GLN A 4 -6.953 2.888 15.058 1.00 22.43 C ATOM 41 CD GLN A 4 -5.955 3.856 15.662 1.00 62.11 C ATOM 42 OE1 GLN A 4 -4.882 3.457 16.116 1.00 42.13 O ATOM 43 NE2 GLN A 4 -6.303 5.137 15.670 1.00 15.24 N ATOM 0 H GLN A 4 -8.092 -0.249 16.837 1.00 25.13 H new ATOM 0 HA GLN A 4 -8.323 0.953 14.153 1.00 5.42 H new ATOM 0 HB2 GLN A 4 -6.627 1.361 16.522 1.00 34.22 H new ATOM 0 HB3 GLN A 4 -5.684 1.165 15.059 1.00 34.22 H new ATOM 0 HG2 GLN A 4 -6.937 2.986 13.973 1.00 22.43 H new ATOM 0 HG3 GLN A 4 -7.957 3.155 15.387 1.00 22.43 H new ATOM 0 HE21 GLN A 4 -7.202 5.424 15.283 1.00 15.24 H new ATOM 0 HE22 GLN A 4 -5.671 5.835 16.063 1.00 15.24 H new ATOM 52 N VAL A 5 -6.751 -0.604 12.937 1.00 10.24 N ATOM 53 CA VAL A 5 -6.085 -1.661 12.185 1.00 12.43 C ATOM 54 C VAL A 5 -4.743 -1.185 11.640 1.00 74.12 C ATOM 55 O VAL A 5 -4.511 0.016 11.496 1.00 24.54 O ATOM 56 CB VAL A 5 -6.958 -2.152 11.015 1.00 3.10 C ATOM 57 CG1 VAL A 5 -8.290 -2.678 11.526 1.00 13.23 C ATOM 58 CG2 VAL A 5 -7.169 -1.036 10.003 1.00 4.11 C ATOM 0 H VAL A 5 -6.997 0.216 12.383 1.00 10.24 H new ATOM 0 HA VAL A 5 -5.920 -2.487 12.877 1.00 12.43 H new ATOM 0 HB VAL A 5 -6.439 -2.971 10.516 1.00 3.10 H new ATOM 0 HG11 VAL A 5 -8.893 -3.020 10.685 1.00 13.23 H new ATOM 0 HG12 VAL A 5 -8.115 -3.509 12.209 1.00 13.23 H new ATOM 0 HG13 VAL A 5 -8.818 -1.882 12.051 1.00 13.23 H new ATOM 0 HG21 VAL A 5 -7.788 -1.401 9.183 1.00 4.11 H new ATOM 0 HG22 VAL A 5 -7.666 -0.195 10.487 1.00 4.11 H new ATOM 0 HG23 VAL A 5 -6.204 -0.711 9.613 1.00 4.11 H new ATOM 68 N ILE A 6 -3.864 -2.134 11.337 1.00 73.31 N ATOM 69 CA ILE A 6 -2.546 -1.812 10.805 1.00 21.22 C ATOM 70 C ILE A 6 -2.584 -1.673 9.287 1.00 33.11 C ATOM 71 O ILE A 6 -3.400 -2.306 8.616 1.00 34.00 O ATOM 72 CB ILE A 6 -1.508 -2.885 11.185 1.00 12.00 C ATOM 73 CG1 ILE A 6 -1.550 -3.155 12.690 1.00 25.25 C ATOM 74 CG2 ILE A 6 -0.115 -2.449 10.758 1.00 43.23 C ATOM 75 CD1 ILE A 6 -2.522 -4.245 13.082 1.00 35.22 C ATOM 0 H ILE A 6 -4.041 -3.132 11.451 1.00 73.31 H new ATOM 0 HA ILE A 6 -2.252 -0.860 11.247 1.00 21.22 H new ATOM 0 HB ILE A 6 -1.754 -3.809 10.662 1.00 12.00 H new ATOM 0 HG12 ILE A 6 -0.552 -3.431 13.029 1.00 25.25 H new ATOM 0 HG13 ILE A 6 -1.820 -2.235 13.208 1.00 25.25 H new ATOM 0 HG21 ILE A 6 0.607 -3.218 11.033 1.00 43.23 H new ATOM 0 HG22 ILE A 6 -0.095 -2.302 9.678 1.00 43.23 H new ATOM 0 HG23 ILE A 6 0.142 -1.514 11.256 1.00 43.23 H new ATOM 0 HD11 ILE A 6 -2.498 -4.382 14.163 1.00 35.22 H new ATOM 0 HD12 ILE A 6 -3.529 -3.963 12.774 1.00 35.22 H new ATOM 0 HD13 ILE A 6 -2.240 -5.177 12.592 1.00 35.22 H new ATOM 87 N CYS A 7 -1.696 -0.843 8.752 1.00 11.11 N ATOM 88 CA CYS A 7 -1.627 -0.621 7.312 1.00 33.30 C ATOM 89 C CYS A 7 -0.925 -1.783 6.616 1.00 1.51 C ATOM 90 O CYS A 7 -0.164 -2.523 7.239 1.00 63.13 O ATOM 91 CB CYS A 7 -0.896 0.687 7.011 1.00 45.51 C ATOM 92 SG CYS A 7 -1.306 2.039 8.140 1.00 45.12 S ATOM 0 H CYS A 7 -1.014 -0.312 9.294 1.00 11.11 H new ATOM 0 HA CYS A 7 -2.646 -0.555 6.930 1.00 33.30 H new ATOM 0 HB2 CYS A 7 0.178 0.508 7.051 1.00 45.51 H new ATOM 0 HB3 CYS A 7 -1.130 0.995 5.992 1.00 45.51 H new ATOM 0 HG CYS A 7 -1.358 3.157 7.478 1.00 45.12 H new ATOM 98 N TRP A 8 -1.187 -1.936 5.323 1.00 21.03 N ATOM 99 CA TRP A 8 -0.581 -3.009 4.543 1.00 42.00 C ATOM 100 C TRP A 8 0.487 -2.462 3.602 1.00 11.32 C ATOM 101 O TRP A 8 0.183 -1.716 2.670 1.00 32.21 O ATOM 102 CB TRP A 8 -1.651 -3.752 3.742 1.00 32.43 C ATOM 103 CG TRP A 8 -2.591 -4.545 4.600 1.00 64.34 C ATOM 104 CD1 TRP A 8 -3.483 -4.054 5.509 1.00 3.25 C ATOM 105 CD2 TRP A 8 -2.729 -5.970 4.628 1.00 31.03 C ATOM 106 NE1 TRP A 8 -4.167 -5.087 6.102 1.00 34.30 N ATOM 107 CE2 TRP A 8 -3.724 -6.273 5.578 1.00 13.22 C ATOM 108 CE3 TRP A 8 -2.111 -7.019 3.943 1.00 71.23 C ATOM 109 CZ2 TRP A 8 -4.112 -7.580 5.858 1.00 32.33 C ATOM 110 CZ3 TRP A 8 -2.497 -8.316 4.222 1.00 30.31 C ATOM 111 CH2 TRP A 8 -3.490 -8.588 5.172 1.00 14.04 C ATOM 0 H TRP A 8 -1.814 -1.331 4.793 1.00 21.03 H new ATOM 0 HA TRP A 8 -0.107 -3.704 5.236 1.00 42.00 H new ATOM 0 HB2 TRP A 8 -2.224 -3.031 3.158 1.00 32.43 H new ATOM 0 HB3 TRP A 8 -1.164 -4.422 3.033 1.00 32.43 H new ATOM 0 HD1 TRP A 8 -3.629 -3.007 5.730 1.00 3.25 H new ATOM 0 HE1 TRP A 8 -4.888 -4.987 6.817 1.00 34.30 H new ATOM 0 HE3 TRP A 8 -1.345 -6.820 3.208 1.00 71.23 H new ATOM 0 HZ2 TRP A 8 -4.877 -7.791 6.591 1.00 32.33 H new ATOM 0 HZ3 TRP A 8 -2.025 -9.134 3.699 1.00 30.31 H new ATOM 0 HH2 TRP A 8 -3.770 -9.613 5.367 1.00 14.04 H new ATOM 122 N CYS A 9 1.737 -2.836 3.851 1.00 12.35 N ATOM 123 CA CYS A 9 2.850 -2.381 3.026 1.00 41.01 C ATOM 124 C CYS A 9 3.195 -3.416 1.960 1.00 21.23 C ATOM 125 O CYS A 9 3.453 -4.579 2.270 1.00 22.43 O ATOM 126 CB CYS A 9 4.076 -2.099 3.896 1.00 33.12 C ATOM 127 SG CYS A 9 4.626 -3.515 4.877 1.00 12.22 S ATOM 0 H CYS A 9 2.005 -3.453 4.618 1.00 12.35 H new ATOM 0 HA CYS A 9 2.548 -1.460 2.528 1.00 41.01 H new ATOM 0 HB2 CYS A 9 4.896 -1.774 3.255 1.00 33.12 H new ATOM 0 HB3 CYS A 9 3.849 -1.271 4.568 1.00 33.12 H new ATOM 0 HG CYS A 9 4.832 -3.139 6.104 1.00 12.22 H new ATOM 133 N PHE A 10 3.196 -2.986 0.703 1.00 1.20 N ATOM 134 CA PHE A 10 3.506 -3.876 -0.410 1.00 5.15 C ATOM 135 C PHE A 10 4.300 -3.143 -1.487 1.00 61.13 C ATOM 136 O PHE A 10 4.358 -1.913 -1.504 1.00 64.12 O ATOM 137 CB PHE A 10 2.219 -4.447 -1.008 1.00 22.12 C ATOM 138 CG PHE A 10 1.584 -3.550 -2.031 1.00 44.15 C ATOM 139 CD1 PHE A 10 1.026 -2.338 -1.659 1.00 10.14 C ATOM 140 CD2 PHE A 10 1.546 -3.918 -3.367 1.00 24.34 C ATOM 141 CE1 PHE A 10 0.441 -1.511 -2.599 1.00 15.14 C ATOM 142 CE2 PHE A 10 0.963 -3.095 -4.311 1.00 74.12 C ATOM 143 CZ PHE A 10 0.410 -1.889 -3.927 1.00 31.44 C ATOM 0 H PHE A 10 2.986 -2.026 0.429 1.00 1.20 H new ATOM 0 HA PHE A 10 4.115 -4.695 -0.029 1.00 5.15 H new ATOM 0 HB2 PHE A 10 2.438 -5.411 -1.467 1.00 22.12 H new ATOM 0 HB3 PHE A 10 1.505 -4.631 -0.205 1.00 22.12 H new ATOM 0 HD1 PHE A 10 1.048 -2.036 -0.622 1.00 10.14 H new ATOM 0 HD2 PHE A 10 1.977 -4.859 -3.674 1.00 24.34 H new ATOM 0 HE1 PHE A 10 0.008 -0.569 -2.295 1.00 15.14 H new ATOM 0 HE2 PHE A 10 0.940 -3.394 -5.348 1.00 74.12 H new ATOM 0 HZ PHE A 10 -0.045 -1.243 -4.663 1.00 31.44 H new ATOM 153 N THR A 11 4.911 -3.908 -2.387 1.00 4.13 N ATOM 154 CA THR A 11 5.703 -3.333 -3.467 1.00 23.31 C ATOM 155 C THR A 11 5.278 -3.894 -4.819 1.00 33.21 C ATOM 156 O THR A 11 5.248 -5.110 -5.017 1.00 12.41 O ATOM 157 CB THR A 11 7.207 -3.599 -3.264 1.00 11.01 C ATOM 158 OG1 THR A 11 7.549 -3.448 -1.882 1.00 11.24 O ATOM 159 CG2 THR A 11 8.043 -2.647 -4.105 1.00 41.34 C ATOM 0 H THR A 11 4.872 -4.927 -2.389 1.00 4.13 H new ATOM 0 HA THR A 11 5.526 -2.258 -3.451 1.00 23.31 H new ATOM 0 HB THR A 11 7.419 -4.620 -3.581 1.00 11.01 H new ATOM 0 HG1 THR A 11 8.506 -3.620 -1.761 1.00 11.24 H new ATOM 0 HG21 THR A 11 9.101 -2.854 -3.945 1.00 41.34 H new ATOM 0 HG22 THR A 11 7.802 -2.785 -5.159 1.00 41.34 H new ATOM 0 HG23 THR A 11 7.826 -1.619 -3.815 1.00 41.34 H new ATOM 167 N LEU A 12 4.950 -3.002 -5.747 1.00 72.43 N ATOM 168 CA LEU A 12 4.526 -3.409 -7.083 1.00 5.31 C ATOM 169 C LEU A 12 5.599 -3.081 -8.117 1.00 73.21 C ATOM 170 O LEU A 12 5.955 -1.920 -8.310 1.00 11.53 O ATOM 171 CB LEU A 12 3.214 -2.717 -7.456 1.00 31.23 C ATOM 172 CG LEU A 12 2.373 -3.408 -8.530 1.00 42.42 C ATOM 173 CD1 LEU A 12 2.071 -4.844 -8.131 1.00 2.42 C ATOM 174 CD2 LEU A 12 1.084 -2.638 -8.775 1.00 14.32 C ATOM 0 H LEU A 12 4.969 -1.993 -5.600 1.00 72.43 H new ATOM 0 HA LEU A 12 4.371 -4.488 -7.076 1.00 5.31 H new ATOM 0 HB2 LEU A 12 2.608 -2.620 -6.555 1.00 31.23 H new ATOM 0 HB3 LEU A 12 3.443 -1.707 -7.796 1.00 31.23 H new ATOM 0 HG LEU A 12 2.945 -3.424 -9.458 1.00 42.42 H new ATOM 0 HD11 LEU A 12 1.472 -5.319 -8.908 1.00 2.42 H new ATOM 0 HD12 LEU A 12 3.005 -5.392 -8.008 1.00 2.42 H new ATOM 0 HD13 LEU A 12 1.519 -4.852 -7.191 1.00 2.42 H new ATOM 0 HD21 LEU A 12 0.498 -3.144 -9.542 1.00 14.32 H new ATOM 0 HD22 LEU A 12 0.508 -2.590 -7.851 1.00 14.32 H new ATOM 0 HD23 LEU A 12 1.321 -1.627 -9.108 1.00 14.32 H new ATOM 186 N ASN A 13 6.108 -4.114 -8.781 1.00 52.45 N ATOM 187 CA ASN A 13 7.138 -3.935 -9.798 1.00 23.41 C ATOM 188 C ASN A 13 6.533 -3.971 -11.198 1.00 42.31 C ATOM 189 O ASN A 13 5.796 -4.893 -11.544 1.00 25.34 O ATOM 190 CB ASN A 13 8.208 -5.021 -9.665 1.00 43.10 C ATOM 191 CG ASN A 13 8.801 -5.080 -8.271 1.00 23.55 C ATOM 192 OD1 ASN A 13 8.466 -5.961 -7.478 1.00 55.13 O ATOM 193 ND2 ASN A 13 9.688 -4.141 -7.964 1.00 43.23 N ATOM 0 H ASN A 13 5.824 -5.083 -8.633 1.00 52.45 H new ATOM 0 HA ASN A 13 7.598 -2.959 -9.646 1.00 23.41 H new ATOM 0 HB2 ASN A 13 7.772 -5.989 -9.913 1.00 43.10 H new ATOM 0 HB3 ASN A 13 9.003 -4.835 -10.387 1.00 43.10 H new ATOM 0 HD21 ASN A 13 10.121 -4.131 -7.040 1.00 43.23 H new ATOM 0 HD22 ASN A 13 9.937 -3.430 -8.652 1.00 43.23 H new ATOM 200 N ASN A 14 6.851 -2.959 -12.000 1.00 33.33 N ATOM 201 CA ASN A 14 6.339 -2.874 -13.363 1.00 33.44 C ATOM 202 C ASN A 14 4.823 -3.049 -13.386 1.00 41.31 C ATOM 203 O ASN A 14 4.293 -4.014 -13.937 1.00 12.32 O ATOM 204 CB ASN A 14 6.999 -3.936 -14.245 1.00 0.22 C ATOM 205 CG ASN A 14 6.922 -3.592 -15.720 1.00 15.33 C ATOM 206 OD1 ASN A 14 6.829 -2.422 -16.091 1.00 54.34 O ATOM 207 ND2 ASN A 14 6.959 -4.613 -16.568 1.00 43.41 N ATOM 0 H ASN A 14 7.460 -2.187 -11.729 1.00 33.33 H new ATOM 0 HA ASN A 14 6.579 -1.885 -13.754 1.00 33.44 H new ATOM 0 HB2 ASN A 14 8.044 -4.047 -13.955 1.00 0.22 H new ATOM 0 HB3 ASN A 14 6.516 -4.898 -14.073 1.00 0.22 H new ATOM 0 HD21 ASN A 14 6.910 -4.444 -17.573 1.00 43.41 H new ATOM 0 HD22 ASN A 14 7.037 -5.567 -16.215 1.00 43.41 H new ATOM 214 N PRO A 15 4.108 -2.093 -12.775 1.00 1.51 N ATOM 215 CA PRO A 15 2.644 -2.117 -12.713 1.00 13.02 C ATOM 216 C PRO A 15 2.001 -1.865 -14.073 1.00 5.14 C ATOM 217 O PRO A 15 2.495 -1.060 -14.864 1.00 73.21 O ATOM 218 CB PRO A 15 2.311 -0.979 -11.745 1.00 13.21 C ATOM 219 CG PRO A 15 3.471 -0.049 -11.840 1.00 21.33 C ATOM 220 CD PRO A 15 4.674 -0.914 -12.098 1.00 1.31 C ATOM 0 HA PRO A 15 2.266 -3.089 -12.396 1.00 13.02 H new ATOM 0 HB2 PRO A 15 1.382 -0.482 -12.023 1.00 13.21 H new ATOM 0 HB3 PRO A 15 2.183 -1.349 -10.728 1.00 13.21 H new ATOM 0 HG2 PRO A 15 3.329 0.672 -12.645 1.00 21.33 H new ATOM 0 HG3 PRO A 15 3.591 0.521 -10.919 1.00 21.33 H new ATOM 0 HD2 PRO A 15 5.408 -0.405 -12.723 1.00 1.31 H new ATOM 0 HD3 PRO A 15 5.179 -1.187 -11.171 1.00 1.31 H new ATOM 228 N LEU A 16 0.899 -2.557 -14.338 1.00 51.42 N ATOM 229 CA LEU A 16 0.188 -2.407 -15.603 1.00 60.23 C ATOM 230 C LEU A 16 -0.809 -1.255 -15.535 1.00 11.02 C ATOM 231 O LEU A 16 -1.429 -0.897 -16.536 1.00 41.13 O ATOM 232 CB LEU A 16 -0.539 -3.705 -15.959 1.00 22.30 C ATOM 233 CG LEU A 16 0.227 -4.680 -16.855 1.00 1.34 C ATOM 234 CD1 LEU A 16 -0.121 -6.117 -16.500 1.00 3.03 C ATOM 235 CD2 LEU A 16 -0.071 -4.403 -18.321 1.00 33.30 C ATOM 0 H LEU A 16 0.478 -3.227 -13.694 1.00 51.42 H new ATOM 0 HA LEU A 16 0.921 -2.183 -16.378 1.00 60.23 H new ATOM 0 HB2 LEU A 16 -0.796 -4.219 -15.033 1.00 22.30 H new ATOM 0 HB3 LEU A 16 -1.476 -3.449 -16.453 1.00 22.30 H new ATOM 0 HG LEU A 16 1.294 -4.535 -16.688 1.00 1.34 H new ATOM 0 HD11 LEU A 16 0.433 -6.796 -17.148 1.00 3.03 H new ATOM 0 HD12 LEU A 16 0.144 -6.309 -15.460 1.00 3.03 H new ATOM 0 HD13 LEU A 16 -1.190 -6.277 -16.637 1.00 3.03 H new ATOM 0 HD21 LEU A 16 0.482 -5.106 -18.944 1.00 33.30 H new ATOM 0 HD22 LEU A 16 -1.139 -4.520 -18.503 1.00 33.30 H new ATOM 0 HD23 LEU A 16 0.230 -3.385 -18.567 1.00 33.30 H new ATOM 247 N SER A 17 -0.957 -0.677 -14.347 1.00 51.11 N ATOM 248 CA SER A 17 -1.880 0.434 -14.147 1.00 51.24 C ATOM 249 C SER A 17 -1.848 0.914 -12.699 1.00 62.34 C ATOM 250 O SER A 17 -1.409 0.205 -11.793 1.00 60.24 O ATOM 251 CB SER A 17 -3.302 0.018 -14.527 1.00 35.20 C ATOM 252 OG SER A 17 -4.090 -0.219 -13.373 1.00 2.32 O ATOM 0 H SER A 17 -0.450 -0.960 -13.509 1.00 51.11 H new ATOM 0 HA SER A 17 -1.565 1.256 -14.790 1.00 51.24 H new ATOM 0 HB2 SER A 17 -3.763 0.799 -15.132 1.00 35.20 H new ATOM 0 HB3 SER A 17 -3.269 -0.883 -15.140 1.00 35.20 H new ATOM 0 HG SER A 17 -4.995 -0.482 -13.643 1.00 2.32 H new ATOM 258 N PRO A 18 -2.324 2.147 -12.475 1.00 3.42 N ATOM 259 CA PRO A 18 -2.361 2.750 -11.139 1.00 52.52 C ATOM 260 C PRO A 18 -3.388 2.083 -10.230 1.00 43.04 C ATOM 261 O PRO A 18 -4.362 1.496 -10.703 1.00 51.12 O ATOM 262 CB PRO A 18 -2.757 4.203 -11.417 1.00 21.12 C ATOM 263 CG PRO A 18 -3.497 4.154 -12.709 1.00 23.41 C ATOM 264 CD PRO A 18 -2.862 3.049 -13.507 1.00 73.54 C ATOM 0 HA PRO A 18 -1.409 2.645 -10.618 1.00 52.52 H new ATOM 0 HB2 PRO A 18 -3.382 4.603 -10.618 1.00 21.12 H new ATOM 0 HB3 PRO A 18 -1.880 4.846 -11.488 1.00 21.12 H new ATOM 0 HG2 PRO A 18 -4.557 3.958 -12.545 1.00 23.41 H new ATOM 0 HG3 PRO A 18 -3.427 5.106 -13.235 1.00 23.41 H new ATOM 0 HD2 PRO A 18 -3.589 2.544 -14.143 1.00 73.54 H new ATOM 0 HD3 PRO A 18 -2.075 3.426 -14.160 1.00 73.54 H new ATOM 272 N LEU A 19 -3.164 2.176 -8.924 1.00 40.53 N ATOM 273 CA LEU A 19 -4.071 1.582 -7.948 1.00 65.33 C ATOM 274 C LEU A 19 -5.382 2.358 -7.879 1.00 43.11 C ATOM 275 O LEU A 19 -5.494 3.455 -8.425 1.00 54.52 O ATOM 276 CB LEU A 19 -3.413 1.545 -6.568 1.00 4.42 C ATOM 277 CG LEU A 19 -1.988 0.993 -6.518 1.00 4.13 C ATOM 278 CD1 LEU A 19 -1.429 1.085 -5.106 1.00 43.43 C ATOM 279 CD2 LEU A 19 -1.955 -0.445 -7.013 1.00 74.40 C ATOM 0 H LEU A 19 -2.362 2.657 -8.516 1.00 40.53 H new ATOM 0 HA LEU A 19 -4.291 0.563 -8.266 1.00 65.33 H new ATOM 0 HB2 LEU A 19 -3.403 2.558 -6.165 1.00 4.42 H new ATOM 0 HB3 LEU A 19 -4.037 0.945 -5.906 1.00 4.42 H new ATOM 0 HG LEU A 19 -1.362 1.597 -7.175 1.00 4.13 H new ATOM 0 HD11 LEU A 19 -0.414 0.688 -5.090 1.00 43.43 H new ATOM 0 HD12 LEU A 19 -1.416 2.127 -4.787 1.00 43.43 H new ATOM 0 HD13 LEU A 19 -2.056 0.506 -4.428 1.00 43.43 H new ATOM 0 HD21 LEU A 19 -0.933 -0.821 -6.970 1.00 74.40 H new ATOM 0 HD22 LEU A 19 -2.595 -1.062 -6.382 1.00 74.40 H new ATOM 0 HD23 LEU A 19 -2.313 -0.484 -8.042 1.00 74.40 H new ATOM 291 N SER A 20 -6.370 1.782 -7.202 1.00 62.43 N ATOM 292 CA SER A 20 -7.674 2.419 -7.063 1.00 30.43 C ATOM 293 C SER A 20 -8.325 2.039 -5.736 1.00 70.52 C ATOM 294 O SER A 20 -8.101 0.947 -5.211 1.00 61.13 O ATOM 295 CB SER A 20 -8.587 2.020 -8.224 1.00 44.32 C ATOM 296 OG SER A 20 -8.722 0.612 -8.307 1.00 11.13 O ATOM 0 H SER A 20 -6.292 0.875 -6.741 1.00 62.43 H new ATOM 0 HA SER A 20 -7.527 3.499 -7.080 1.00 30.43 H new ATOM 0 HB2 SER A 20 -9.569 2.475 -8.092 1.00 44.32 H new ATOM 0 HB3 SER A 20 -8.180 2.405 -9.159 1.00 44.32 H new ATOM 0 HG SER A 20 -9.312 0.383 -9.056 1.00 11.13 H new ATOM 302 N LEU A 21 -9.132 2.947 -5.199 1.00 70.21 N ATOM 303 CA LEU A 21 -9.817 2.709 -3.933 1.00 70.53 C ATOM 304 C LEU A 21 -10.563 1.378 -3.960 1.00 3.23 C ATOM 305 O LEU A 21 -10.956 0.896 -5.022 1.00 64.43 O ATOM 306 CB LEU A 21 -10.794 3.848 -3.637 1.00 63.10 C ATOM 307 CG LEU A 21 -11.678 3.670 -2.402 1.00 5.20 C ATOM 308 CD1 LEU A 21 -10.827 3.599 -1.143 1.00 74.30 C ATOM 309 CD2 LEU A 21 -12.688 4.804 -2.302 1.00 20.33 C ATOM 0 H LEU A 21 -9.328 3.855 -5.620 1.00 70.21 H new ATOM 0 HA LEU A 21 -9.066 2.668 -3.144 1.00 70.53 H new ATOM 0 HB2 LEU A 21 -10.223 4.769 -3.521 1.00 63.10 H new ATOM 0 HB3 LEU A 21 -11.440 3.981 -4.505 1.00 63.10 H new ATOM 0 HG LEU A 21 -12.224 2.732 -2.501 1.00 5.20 H new ATOM 0 HD11 LEU A 21 -11.473 3.472 -0.274 1.00 74.30 H new ATOM 0 HD12 LEU A 21 -10.143 2.753 -1.213 1.00 74.30 H new ATOM 0 HD13 LEU A 21 -10.255 4.521 -1.038 1.00 74.30 H new ATOM 0 HD21 LEU A 21 -13.309 4.661 -1.417 1.00 20.33 H new ATOM 0 HD22 LEU A 21 -12.161 5.755 -2.226 1.00 20.33 H new ATOM 0 HD23 LEU A 21 -13.319 4.809 -3.191 1.00 20.33 H new ATOM 321 N HIS A 22 -10.756 0.791 -2.783 1.00 73.30 N ATOM 322 CA HIS A 22 -11.458 -0.483 -2.671 1.00 21.22 C ATOM 323 C HIS A 22 -12.668 -0.358 -1.751 1.00 14.54 C ATOM 324 O HIS A 22 -12.570 0.185 -0.650 1.00 2.11 O ATOM 325 CB HIS A 22 -10.514 -1.565 -2.146 1.00 24.02 C ATOM 326 CG HIS A 22 -10.973 -2.958 -2.446 1.00 71.55 C ATOM 327 ND1 HIS A 22 -11.506 -3.492 -3.571 1.00 45.00 N flip ATOM 328 CD2 HIS A 22 -10.911 -3.986 -1.529 1.00 13.35 C flip ATOM 329 CE1 HIS A 22 -11.752 -4.818 -3.315 1.00 63.33 C flip ATOM 330 NE2 HIS A 22 -11.384 -5.091 -2.076 1.00 35.22 N flip ATOM 0 H HIS A 22 -10.437 1.177 -1.894 1.00 73.30 H new ATOM 0 HA HIS A 22 -11.807 -0.766 -3.664 1.00 21.22 H new ATOM 0 HB2 HIS A 22 -9.526 -1.415 -2.581 1.00 24.02 H new ATOM 0 HB3 HIS A 22 -10.408 -1.451 -1.067 1.00 24.02 H new ATOM 0 HD1 HIS A 22 -11.690 -3.000 -4.445 1.00 45.00 H new ATOM 0 HD2 HIS A 22 -10.534 -3.901 -0.520 1.00 13.35 H new ATOM 0 HE1 HIS A 22 -12.177 -5.524 -4.013 1.00 63.33 H new ATOM 338 N ASP A 23 -13.809 -0.862 -2.209 1.00 43.51 N ATOM 339 CA ASP A 23 -15.038 -0.806 -1.427 1.00 54.01 C ATOM 340 C ASP A 23 -14.851 -1.481 -0.072 1.00 13.43 C ATOM 341 O ASP A 23 -15.571 -1.188 0.883 1.00 31.01 O ATOM 342 CB ASP A 23 -16.184 -1.474 -2.190 1.00 25.35 C ATOM 343 CG ASP A 23 -17.284 -0.497 -2.554 1.00 32.51 C ATOM 344 OD1 ASP A 23 -17.906 0.067 -1.630 1.00 31.43 O ATOM 345 OD2 ASP A 23 -17.524 -0.298 -3.763 1.00 53.32 O ATOM 0 H ASP A 23 -13.908 -1.314 -3.118 1.00 43.51 H new ATOM 0 HA ASP A 23 -15.286 0.242 -1.259 1.00 54.01 H new ATOM 0 HB2 ASP A 23 -15.793 -1.932 -3.099 1.00 25.35 H new ATOM 0 HB3 ASP A 23 -16.602 -2.277 -1.583 1.00 25.35 H new ATOM 350 N SER A 24 -13.881 -2.386 0.004 1.00 3.53 N ATOM 351 CA SER A 24 -13.602 -3.106 1.241 1.00 11.44 C ATOM 352 C SER A 24 -12.696 -2.286 2.155 1.00 42.32 C ATOM 353 O SER A 24 -12.893 -2.246 3.369 1.00 40.51 O ATOM 354 CB SER A 24 -12.950 -4.455 0.935 1.00 20.20 C ATOM 355 OG SER A 24 -13.560 -5.074 -0.185 1.00 3.32 O ATOM 0 H SER A 24 -13.275 -2.638 -0.777 1.00 3.53 H new ATOM 0 HA SER A 24 -14.548 -3.276 1.754 1.00 11.44 H new ATOM 0 HB2 SER A 24 -11.887 -4.313 0.742 1.00 20.20 H new ATOM 0 HB3 SER A 24 -13.032 -5.107 1.804 1.00 20.20 H new ATOM 0 HG SER A 24 -12.868 -5.371 -0.812 1.00 3.32 H new ATOM 361 N MET A 25 -11.702 -1.633 1.561 1.00 62.51 N ATOM 362 CA MET A 25 -10.765 -0.813 2.320 1.00 31.33 C ATOM 363 C MET A 25 -11.405 0.512 2.722 1.00 62.01 C ATOM 364 O MET A 25 -12.588 0.743 2.473 1.00 72.22 O ATOM 365 CB MET A 25 -9.500 -0.554 1.500 1.00 22.52 C ATOM 366 CG MET A 25 -9.646 0.579 0.498 1.00 13.34 C ATOM 367 SD MET A 25 -8.083 1.020 -0.285 1.00 73.14 S ATOM 368 CE MET A 25 -7.682 -0.511 -1.124 1.00 41.12 C ATOM 0 H MET A 25 -11.525 -1.656 0.557 1.00 62.51 H new ATOM 0 HA MET A 25 -10.496 -1.356 3.226 1.00 31.33 H new ATOM 0 HB2 MET A 25 -8.678 -0.324 2.178 1.00 22.52 H new ATOM 0 HB3 MET A 25 -9.229 -1.466 0.968 1.00 22.52 H new ATOM 0 HG2 MET A 25 -10.363 0.289 -0.270 1.00 13.34 H new ATOM 0 HG3 MET A 25 -10.055 1.454 1.002 1.00 13.34 H new ATOM 0 HE1 MET A 25 -6.600 -0.642 -1.145 1.00 41.12 H new ATOM 0 HE2 MET A 25 -8.139 -1.347 -0.594 1.00 41.12 H new ATOM 0 HE3 MET A 25 -8.063 -0.477 -2.145 1.00 41.12 H new ATOM 378 N LYS A 26 -10.615 1.380 3.345 1.00 12.02 N ATOM 379 CA LYS A 26 -11.103 2.683 3.781 1.00 53.01 C ATOM 380 C LYS A 26 -10.209 3.802 3.257 1.00 51.11 C ATOM 381 O LYS A 26 -10.694 4.858 2.849 1.00 60.21 O ATOM 382 CB LYS A 26 -11.169 2.741 5.309 1.00 42.22 C ATOM 383 CG LYS A 26 -12.568 2.981 5.849 1.00 70.40 C ATOM 384 CD LYS A 26 -12.536 3.754 7.157 1.00 72.15 C ATOM 385 CE LYS A 26 -12.440 2.821 8.354 1.00 63.32 C ATOM 386 NZ LYS A 26 -12.039 3.546 9.591 1.00 23.32 N ATOM 0 H LYS A 26 -9.633 1.204 3.559 1.00 12.02 H new ATOM 0 HA LYS A 26 -12.105 2.822 3.375 1.00 53.01 H new ATOM 0 HB2 LYS A 26 -10.787 1.805 5.716 1.00 42.22 H new ATOM 0 HB3 LYS A 26 -10.511 3.535 5.663 1.00 42.22 H new ATOM 0 HG2 LYS A 26 -13.153 3.533 5.113 1.00 70.40 H new ATOM 0 HG3 LYS A 26 -13.069 2.025 6.002 1.00 70.40 H new ATOM 0 HD2 LYS A 26 -11.686 4.436 7.157 1.00 72.15 H new ATOM 0 HD3 LYS A 26 -13.435 4.365 7.242 1.00 72.15 H new ATOM 0 HE2 LYS A 26 -13.402 2.335 8.514 1.00 63.32 H new ATOM 0 HE3 LYS A 26 -11.716 2.034 8.144 1.00 63.32 H new ATOM 0 HZ1 LYS A 26 -11.985 2.876 10.384 1.00 23.32 H new ATOM 0 HZ2 LYS A 26 -11.109 3.989 9.448 1.00 23.32 H new ATOM 0 HZ3 LYS A 26 -12.743 4.281 9.806 1.00 23.32 H new ATOM 400 N TYR A 27 -8.902 3.564 3.270 1.00 74.13 N ATOM 401 CA TYR A 27 -7.941 4.552 2.796 1.00 4.33 C ATOM 402 C TYR A 27 -6.919 3.914 1.861 1.00 62.44 C ATOM 403 O TYR A 27 -6.544 2.752 2.030 1.00 13.52 O ATOM 404 CB TYR A 27 -7.226 5.207 3.980 1.00 62.32 C ATOM 405 CG TYR A 27 -6.745 6.612 3.695 1.00 21.41 C ATOM 406 CD1 TYR A 27 -7.603 7.566 3.163 1.00 51.03 C ATOM 407 CD2 TYR A 27 -5.432 6.985 3.957 1.00 35.53 C ATOM 408 CE1 TYR A 27 -7.168 8.851 2.900 1.00 32.22 C ATOM 409 CE2 TYR A 27 -4.989 8.267 3.699 1.00 12.24 C ATOM 410 CZ TYR A 27 -5.861 9.197 3.171 1.00 64.42 C ATOM 411 OH TYR A 27 -5.423 10.475 2.911 1.00 25.01 O ATOM 0 H TYR A 27 -8.484 2.695 3.604 1.00 74.13 H new ATOM 0 HA TYR A 27 -8.487 5.315 2.241 1.00 4.33 H new ATOM 0 HB2 TYR A 27 -7.902 5.230 4.835 1.00 62.32 H new ATOM 0 HB3 TYR A 27 -6.373 4.591 4.265 1.00 62.32 H new ATOM 0 HD1 TYR A 27 -8.628 7.299 2.951 1.00 51.03 H new ATOM 0 HD2 TYR A 27 -4.746 6.260 4.369 1.00 35.53 H new ATOM 0 HE1 TYR A 27 -7.848 9.580 2.485 1.00 32.22 H new ATOM 0 HE2 TYR A 27 -3.966 8.540 3.909 1.00 12.24 H new ATOM 0 HH TYR A 27 -5.111 10.890 3.743 1.00 25.01 H new ATOM 421 N LEU A 28 -6.471 4.680 0.873 1.00 50.54 N ATOM 422 CA LEU A 28 -5.491 4.192 -0.092 1.00 34.45 C ATOM 423 C LEU A 28 -4.304 5.144 -0.191 1.00 62.54 C ATOM 424 O LEU A 28 -4.472 6.341 -0.423 1.00 31.13 O ATOM 425 CB LEU A 28 -6.140 4.022 -1.466 1.00 75.22 C ATOM 426 CG LEU A 28 -5.181 3.884 -2.649 1.00 52.10 C ATOM 427 CD1 LEU A 28 -4.127 2.827 -2.361 1.00 30.50 C ATOM 428 CD2 LEU A 28 -5.947 3.545 -3.920 1.00 24.43 C ATOM 0 H LEU A 28 -6.771 5.643 0.718 1.00 50.54 H new ATOM 0 HA LEU A 28 -5.128 3.224 0.253 1.00 34.45 H new ATOM 0 HB2 LEU A 28 -6.779 3.139 -1.437 1.00 75.22 H new ATOM 0 HB3 LEU A 28 -6.788 4.879 -1.648 1.00 75.22 H new ATOM 0 HG LEU A 28 -4.677 4.839 -2.797 1.00 52.10 H new ATOM 0 HD11 LEU A 28 -3.454 2.743 -3.214 1.00 30.50 H new ATOM 0 HD12 LEU A 28 -3.558 3.112 -1.476 1.00 30.50 H new ATOM 0 HD13 LEU A 28 -4.613 1.867 -2.186 1.00 30.50 H new ATOM 0 HD21 LEU A 28 -5.249 3.451 -4.752 1.00 24.43 H new ATOM 0 HD22 LEU A 28 -6.479 2.603 -3.784 1.00 24.43 H new ATOM 0 HD23 LEU A 28 -6.663 4.338 -4.136 1.00 24.43 H new ATOM 440 N VAL A 29 -3.102 4.603 -0.018 1.00 30.45 N ATOM 441 CA VAL A 29 -1.885 5.403 -0.091 1.00 75.24 C ATOM 442 C VAL A 29 -0.780 4.656 -0.829 1.00 73.35 C ATOM 443 O VAL A 29 -0.398 3.551 -0.443 1.00 1.13 O ATOM 444 CB VAL A 29 -1.381 5.788 1.312 1.00 40.01 C ATOM 445 CG1 VAL A 29 -0.090 6.587 1.215 1.00 72.21 C ATOM 446 CG2 VAL A 29 -2.447 6.571 2.064 1.00 24.45 C ATOM 0 H VAL A 29 -2.945 3.614 0.174 1.00 30.45 H new ATOM 0 HA VAL A 29 -2.136 6.311 -0.640 1.00 75.24 H new ATOM 0 HB VAL A 29 -1.173 4.874 1.868 1.00 40.01 H new ATOM 0 HG11 VAL A 29 0.251 6.850 2.216 1.00 72.21 H new ATOM 0 HG12 VAL A 29 0.672 5.987 0.718 1.00 72.21 H new ATOM 0 HG13 VAL A 29 -0.267 7.497 0.641 1.00 72.21 H new ATOM 0 HG21 VAL A 29 -2.074 6.835 3.054 1.00 24.45 H new ATOM 0 HG22 VAL A 29 -2.688 7.480 1.513 1.00 24.45 H new ATOM 0 HG23 VAL A 29 -3.344 5.960 2.165 1.00 24.45 H new ATOM 456 N TYR A 30 -0.270 5.266 -1.894 1.00 34.34 N ATOM 457 CA TYR A 30 0.790 4.658 -2.688 1.00 24.42 C ATOM 458 C TYR A 30 1.658 5.726 -3.347 1.00 22.54 C ATOM 459 O TYR A 30 1.177 6.805 -3.691 1.00 64.44 O ATOM 460 CB TYR A 30 0.194 3.739 -3.756 1.00 0.13 C ATOM 461 CG TYR A 30 -0.340 4.479 -4.962 1.00 4.05 C ATOM 462 CD1 TYR A 30 -1.656 4.922 -5.003 1.00 63.23 C ATOM 463 CD2 TYR A 30 0.473 4.736 -6.059 1.00 2.22 C ATOM 464 CE1 TYR A 30 -2.147 5.598 -6.103 1.00 75.52 C ATOM 465 CE2 TYR A 30 -0.010 5.412 -7.162 1.00 44.55 C ATOM 466 CZ TYR A 30 -1.321 5.841 -7.180 1.00 64.41 C ATOM 467 OH TYR A 30 -1.806 6.515 -8.277 1.00 73.41 O ATOM 0 H TYR A 30 -0.574 6.181 -2.227 1.00 34.34 H new ATOM 0 HA TYR A 30 1.416 4.068 -2.019 1.00 24.42 H new ATOM 0 HB2 TYR A 30 0.957 3.032 -4.082 1.00 0.13 H new ATOM 0 HB3 TYR A 30 -0.612 3.155 -3.312 1.00 0.13 H new ATOM 0 HD1 TYR A 30 -2.306 4.735 -4.161 1.00 63.23 H new ATOM 0 HD2 TYR A 30 1.500 4.401 -6.049 1.00 2.22 H new ATOM 0 HE1 TYR A 30 -3.173 5.935 -6.119 1.00 75.52 H new ATOM 0 HE2 TYR A 30 0.635 5.604 -8.006 1.00 44.55 H new ATOM 0 HH TYR A 30 -1.096 6.604 -8.946 1.00 73.41 H new ATOM 477 N GLN A 31 2.939 5.415 -3.518 1.00 21.00 N ATOM 478 CA GLN A 31 3.875 6.347 -4.135 1.00 53.52 C ATOM 479 C GLN A 31 4.697 5.657 -5.218 1.00 25.43 C ATOM 480 O GLN A 31 4.905 4.443 -5.176 1.00 54.35 O ATOM 481 CB GLN A 31 4.803 6.947 -3.077 1.00 72.03 C ATOM 482 CG GLN A 31 6.276 6.863 -3.442 1.00 61.52 C ATOM 483 CD GLN A 31 7.176 7.452 -2.374 1.00 65.14 C ATOM 484 OE1 GLN A 31 8.186 6.855 -1.999 1.00 10.33 O ATOM 485 NE2 GLN A 31 6.815 8.630 -1.879 1.00 62.21 N ATOM 0 H GLN A 31 3.352 4.525 -3.238 1.00 21.00 H new ATOM 0 HA GLN A 31 3.298 7.148 -4.598 1.00 53.52 H new ATOM 0 HB2 GLN A 31 4.535 7.992 -2.921 1.00 72.03 H new ATOM 0 HB3 GLN A 31 4.642 6.432 -2.130 1.00 72.03 H new ATOM 0 HG2 GLN A 31 6.547 5.820 -3.605 1.00 61.52 H new ATOM 0 HG3 GLN A 31 6.444 7.387 -4.383 1.00 61.52 H new ATOM 0 HE21 GLN A 31 5.970 9.089 -2.219 1.00 62.21 H new ATOM 0 HE22 GLN A 31 7.383 9.076 -1.159 1.00 62.21 H new ATOM 494 N THR A 32 5.165 6.437 -6.187 1.00 71.24 N ATOM 495 CA THR A 32 5.964 5.900 -7.282 1.00 13.30 C ATOM 496 C THR A 32 7.454 6.045 -6.997 1.00 42.45 C ATOM 497 O THR A 32 7.921 7.120 -6.620 1.00 61.44 O ATOM 498 CB THR A 32 5.636 6.602 -8.613 1.00 40.33 C ATOM 499 OG1 THR A 32 4.268 6.368 -8.967 1.00 3.42 O ATOM 500 CG2 THR A 32 6.545 6.103 -9.726 1.00 42.53 C ATOM 0 H THR A 32 5.005 7.443 -6.236 1.00 71.24 H new ATOM 0 HA THR A 32 5.715 4.842 -7.367 1.00 13.30 H new ATOM 0 HB THR A 32 5.799 7.672 -8.484 1.00 40.33 H new ATOM 0 HG1 THR A 32 4.154 5.431 -9.232 1.00 3.42 H new ATOM 0 HG21 THR A 32 6.295 6.613 -10.656 1.00 42.53 H new ATOM 0 HG22 THR A 32 7.584 6.309 -9.467 1.00 42.53 H new ATOM 0 HG23 THR A 32 6.409 5.029 -9.853 1.00 42.53 H new ATOM 508 N GLU A 33 8.196 4.958 -7.181 1.00 71.43 N ATOM 509 CA GLU A 33 9.635 4.966 -6.944 1.00 34.42 C ATOM 510 C GLU A 33 10.395 4.531 -8.194 1.00 12.24 C ATOM 511 O GLU A 33 9.818 3.950 -9.112 1.00 53.01 O ATOM 512 CB GLU A 33 9.986 4.044 -5.774 1.00 11.22 C ATOM 513 CG GLU A 33 9.871 4.715 -4.415 1.00 63.12 C ATOM 514 CD GLU A 33 10.263 3.795 -3.275 1.00 73.44 C ATOM 515 OE1 GLU A 33 11.243 3.037 -3.435 1.00 41.41 O ATOM 516 OE2 GLU A 33 9.589 3.831 -2.225 1.00 3.14 O ATOM 0 H GLU A 33 7.825 4.061 -7.493 1.00 71.43 H new ATOM 0 HA GLU A 33 9.931 5.985 -6.696 1.00 34.42 H new ATOM 0 HB2 GLU A 33 9.329 3.175 -5.797 1.00 11.22 H new ATOM 0 HB3 GLU A 33 11.004 3.677 -5.904 1.00 11.22 H new ATOM 0 HG2 GLU A 33 10.506 5.601 -4.397 1.00 63.12 H new ATOM 0 HG3 GLU A 33 8.846 5.054 -4.267 1.00 63.12 H new ATOM 523 N GLN A 34 11.692 4.818 -8.220 1.00 2.44 N ATOM 524 CA GLN A 34 12.531 4.459 -9.357 1.00 21.44 C ATOM 525 C GLN A 34 13.121 3.064 -9.178 1.00 23.32 C ATOM 526 O GLN A 34 13.713 2.757 -8.144 1.00 34.34 O ATOM 527 CB GLN A 34 13.654 5.482 -9.533 1.00 25.24 C ATOM 528 CG GLN A 34 13.605 6.217 -10.862 1.00 61.23 C ATOM 529 CD GLN A 34 14.942 6.222 -11.576 1.00 45.22 C ATOM 530 OE1 GLN A 34 15.997 6.280 -10.943 1.00 50.10 O ATOM 531 NE2 GLN A 34 14.906 6.161 -12.902 1.00 43.42 N ATOM 0 H GLN A 34 12.185 5.298 -7.467 1.00 2.44 H new ATOM 0 HA GLN A 34 11.907 4.458 -10.251 1.00 21.44 H new ATOM 0 HB2 GLN A 34 13.602 6.209 -8.723 1.00 25.24 H new ATOM 0 HB3 GLN A 34 14.614 4.974 -9.444 1.00 25.24 H new ATOM 0 HG2 GLN A 34 12.857 5.751 -11.503 1.00 61.23 H new ATOM 0 HG3 GLN A 34 13.284 7.245 -10.693 1.00 61.23 H new ATOM 0 HE21 GLN A 34 14.009 6.114 -13.386 1.00 43.42 H new ATOM 0 HE22 GLN A 34 15.775 6.161 -13.436 1.00 43.42 H new ATOM 540 N GLY A 35 12.956 2.222 -10.194 1.00 30.44 N ATOM 541 CA GLY A 35 13.477 0.869 -10.128 1.00 63.11 C ATOM 542 C GLY A 35 14.025 0.394 -11.459 1.00 70.42 C ATOM 543 O GLY A 35 14.884 1.045 -12.052 1.00 3.13 O ATOM 0 H GLY A 35 12.471 2.453 -11.061 1.00 30.44 H new ATOM 0 HA2 GLY A 35 14.265 0.823 -9.377 1.00 63.11 H new ATOM 0 HA3 GLY A 35 12.686 0.194 -9.802 1.00 63.11 H new ATOM 547 N GLU A 36 13.528 -0.746 -11.929 1.00 75.22 N ATOM 548 CA GLU A 36 13.975 -1.309 -13.198 1.00 1.42 C ATOM 549 C GLU A 36 14.095 -0.222 -14.263 1.00 24.05 C ATOM 550 O GLU A 36 13.140 0.505 -14.533 1.00 2.44 O ATOM 551 CB GLU A 36 13.007 -2.395 -13.670 1.00 35.25 C ATOM 552 CG GLU A 36 11.548 -2.075 -13.387 1.00 43.01 C ATOM 553 CD GLU A 36 10.988 -2.879 -12.230 1.00 1.34 C ATOM 554 OE1 GLU A 36 11.185 -4.112 -12.215 1.00 34.04 O ATOM 555 OE2 GLU A 36 10.354 -2.275 -11.340 1.00 34.14 O ATOM 0 H GLU A 36 12.816 -1.298 -11.450 1.00 75.22 H new ATOM 0 HA GLU A 36 14.959 -1.752 -13.042 1.00 1.42 H new ATOM 0 HB2 GLU A 36 13.136 -2.544 -14.742 1.00 35.25 H new ATOM 0 HB3 GLU A 36 13.265 -3.336 -13.184 1.00 35.25 H new ATOM 0 HG2 GLU A 36 11.449 -1.012 -13.167 1.00 43.01 H new ATOM 0 HG3 GLU A 36 10.957 -2.272 -14.281 1.00 43.01 H new ATOM 562 N ALA A 37 15.276 -0.118 -14.863 1.00 64.41 N ATOM 563 CA ALA A 37 15.522 0.877 -15.899 1.00 11.31 C ATOM 564 C ALA A 37 14.420 0.857 -16.952 1.00 73.35 C ATOM 565 O ALA A 37 14.161 -0.173 -17.574 1.00 40.23 O ATOM 566 CB ALA A 37 16.878 0.642 -16.547 1.00 23.44 C ATOM 0 H ALA A 37 16.078 -0.711 -14.649 1.00 64.41 H new ATOM 0 HA ALA A 37 15.522 1.861 -15.429 1.00 11.31 H new ATOM 0 HB1 ALA A 37 17.048 1.393 -17.319 1.00 23.44 H new ATOM 0 HB2 ALA A 37 17.660 0.715 -15.791 1.00 23.44 H new ATOM 0 HB3 ALA A 37 16.899 -0.351 -16.996 1.00 23.44 H new ATOM 572 N GLY A 38 13.772 2.002 -17.148 1.00 21.45 N ATOM 573 CA GLY A 38 12.704 2.092 -18.126 1.00 44.51 C ATOM 574 C GLY A 38 11.329 2.040 -17.490 1.00 63.25 C ATOM 575 O GLY A 38 10.396 2.691 -17.959 1.00 64.50 O ATOM 0 H GLY A 38 13.968 2.868 -16.647 1.00 21.45 H new ATOM 0 HA2 GLY A 38 12.807 3.021 -18.687 1.00 44.51 H new ATOM 0 HA3 GLY A 38 12.801 1.275 -18.841 1.00 44.51 H new ATOM 579 N ASN A 39 11.203 1.261 -16.421 1.00 0.33 N ATOM 580 CA ASN A 39 9.931 1.124 -15.721 1.00 53.21 C ATOM 581 C ASN A 39 10.047 1.611 -14.280 1.00 2.21 C ATOM 582 O ASN A 39 11.134 1.958 -13.817 1.00 43.55 O ATOM 583 CB ASN A 39 9.468 -0.334 -15.743 1.00 13.14 C ATOM 584 CG ASN A 39 10.070 -1.115 -16.894 1.00 64.03 C ATOM 585 OD1 ASN A 39 11.291 -1.602 -16.704 1.00 55.33 O flip ATOM 586 ND2 ASN A 39 9.446 -1.279 -17.942 1.00 21.01 N flip ATOM 0 H ASN A 39 11.966 0.715 -16.021 1.00 0.33 H new ATOM 0 HA ASN A 39 9.194 1.740 -16.235 1.00 53.21 H new ATOM 0 HB2 ASN A 39 9.739 -0.812 -14.802 1.00 13.14 H new ATOM 0 HB3 ASN A 39 8.381 -0.366 -15.815 1.00 13.14 H new ATOM 0 HD21 ASN A 39 8.510 -0.887 -18.045 1.00 21.01 H new ATOM 0 HD22 ASN A 39 9.865 -1.807 -18.708 1.00 21.01 H new ATOM 593 N ILE A 40 8.921 1.633 -13.576 1.00 15.31 N ATOM 594 CA ILE A 40 8.897 2.076 -12.187 1.00 74.13 C ATOM 595 C ILE A 40 8.084 1.121 -11.320 1.00 31.12 C ATOM 596 O ILE A 40 7.350 0.273 -11.830 1.00 2.42 O ATOM 597 CB ILE A 40 8.310 3.494 -12.059 1.00 12.05 C ATOM 598 CG1 ILE A 40 7.055 3.631 -12.923 1.00 34.43 C ATOM 599 CG2 ILE A 40 9.347 4.534 -12.454 1.00 2.44 C ATOM 600 CD1 ILE A 40 6.448 5.016 -12.892 1.00 71.15 C ATOM 0 H ILE A 40 8.013 1.349 -13.944 1.00 15.31 H new ATOM 0 HA ILE A 40 9.930 2.087 -11.841 1.00 74.13 H new ATOM 0 HB ILE A 40 8.032 3.663 -11.019 1.00 12.05 H new ATOM 0 HG12 ILE A 40 7.303 3.375 -13.953 1.00 34.43 H new ATOM 0 HG13 ILE A 40 6.311 2.909 -12.586 1.00 34.43 H new ATOM 0 HG21 ILE A 40 8.917 5.531 -12.358 1.00 2.44 H new ATOM 0 HG22 ILE A 40 10.215 4.449 -11.800 1.00 2.44 H new ATOM 0 HG23 ILE A 40 9.653 4.369 -13.487 1.00 2.44 H new ATOM 0 HD11 ILE A 40 5.562 5.039 -13.527 1.00 71.15 H new ATOM 0 HD12 ILE A 40 6.168 5.268 -11.869 1.00 71.15 H new ATOM 0 HD13 ILE A 40 7.176 5.740 -13.258 1.00 71.15 H new ATOM 612 N HIS A 41 8.218 1.265 -10.005 1.00 60.41 N ATOM 613 CA HIS A 41 7.494 0.416 -9.065 1.00 70.04 C ATOM 614 C HIS A 41 6.699 1.259 -8.073 1.00 3.31 C ATOM 615 O HIS A 41 7.060 2.401 -7.784 1.00 72.50 O ATOM 616 CB HIS A 41 8.466 -0.495 -8.315 1.00 71.10 C ATOM 617 CG HIS A 41 9.734 0.189 -7.907 1.00 63.11 C ATOM 618 ND1 HIS A 41 9.986 1.487 -7.616 1.00 71.25 N flip ATOM 619 CD2 HIS A 41 10.934 -0.475 -7.760 1.00 63.50 C flip ATOM 620 CE1 HIS A 41 11.319 1.582 -7.301 1.00 44.11 C flip ATOM 621 NE2 HIS A 41 11.868 0.384 -7.395 1.00 25.32 N flip ATOM 0 H HIS A 41 8.821 1.961 -9.566 1.00 60.41 H new ATOM 0 HA HIS A 41 6.796 -0.200 -9.632 1.00 70.04 H new ATOM 0 HB2 HIS A 41 7.972 -0.886 -7.426 1.00 71.10 H new ATOM 0 HB3 HIS A 41 8.711 -1.350 -8.946 1.00 71.10 H new ATOM 0 HD2 HIS A 41 11.086 -1.532 -7.919 1.00 63.50 H new ATOM 0 HE1 HIS A 41 11.835 2.489 -7.022 1.00 44.11 H new ATOM 0 HE2 HIS A 41 12.847 0.161 -7.216 1.00 25.32 H new ATOM 629 N PHE A 42 5.616 0.690 -7.555 1.00 0.25 N ATOM 630 CA PHE A 42 4.769 1.390 -6.596 1.00 2.33 C ATOM 631 C PHE A 42 5.038 0.902 -5.175 1.00 53.21 C ATOM 632 O PHE A 42 5.260 -0.287 -4.949 1.00 4.34 O ATOM 633 CB PHE A 42 3.293 1.190 -6.945 1.00 42.13 C ATOM 634 CG PHE A 42 2.807 2.101 -8.036 1.00 14.11 C ATOM 635 CD1 PHE A 42 3.703 2.715 -8.896 1.00 22.42 C ATOM 636 CD2 PHE A 42 1.453 2.344 -8.201 1.00 15.32 C ATOM 637 CE1 PHE A 42 3.259 3.553 -9.901 1.00 12.13 C ATOM 638 CE2 PHE A 42 1.002 3.181 -9.204 1.00 42.41 C ATOM 639 CZ PHE A 42 1.906 3.788 -10.054 1.00 65.42 C ATOM 0 H PHE A 42 5.304 -0.254 -7.783 1.00 0.25 H new ATOM 0 HA PHE A 42 5.006 2.453 -6.648 1.00 2.33 H new ATOM 0 HB2 PHE A 42 3.137 0.155 -7.250 1.00 42.13 H new ATOM 0 HB3 PHE A 42 2.691 1.353 -6.051 1.00 42.13 H new ATOM 0 HD1 PHE A 42 4.762 2.536 -8.779 1.00 22.42 H new ATOM 0 HD2 PHE A 42 0.742 1.874 -7.538 1.00 15.32 H new ATOM 0 HE1 PHE A 42 3.968 4.023 -10.566 1.00 12.13 H new ATOM 0 HE2 PHE A 42 -0.056 3.360 -9.323 1.00 42.41 H new ATOM 0 HZ PHE A 42 1.556 4.445 -10.837 1.00 65.42 H new ATOM 649 N GLN A 43 5.015 1.829 -4.223 1.00 42.41 N ATOM 650 CA GLN A 43 5.257 1.494 -2.825 1.00 3.01 C ATOM 651 C GLN A 43 4.437 2.388 -1.901 1.00 20.02 C ATOM 652 O GLN A 43 4.400 3.606 -2.070 1.00 64.14 O ATOM 653 CB GLN A 43 6.745 1.629 -2.496 1.00 41.22 C ATOM 654 CG GLN A 43 7.443 0.297 -2.278 1.00 23.35 C ATOM 655 CD GLN A 43 8.815 0.244 -2.921 1.00 2.24 C ATOM 656 OE1 GLN A 43 8.850 0.305 -4.247 1.00 65.13 O flip ATOM 657 NE2 GLN A 43 9.832 0.150 -2.233 1.00 23.13 N flip ATOM 0 H GLN A 43 4.831 2.818 -4.394 1.00 42.41 H new ATOM 0 HA GLN A 43 4.950 0.460 -2.667 1.00 3.01 H new ATOM 0 HB2 GLN A 43 7.241 2.161 -3.308 1.00 41.22 H new ATOM 0 HB3 GLN A 43 6.856 2.239 -1.600 1.00 41.22 H new ATOM 0 HG2 GLN A 43 7.540 0.113 -1.208 1.00 23.35 H new ATOM 0 HG3 GLN A 43 6.825 -0.503 -2.684 1.00 23.35 H new ATOM 0 HE21 GLN A 43 9.758 0.106 -1.217 1.00 23.13 H new ATOM 0 HE22 GLN A 43 10.748 0.116 -2.680 1.00 23.13 H new ATOM 666 N GLY A 44 3.779 1.774 -0.922 1.00 21.01 N ATOM 667 CA GLY A 44 2.968 2.530 0.014 1.00 35.43 C ATOM 668 C GLY A 44 2.247 1.639 1.007 1.00 11.31 C ATOM 669 O GLY A 44 2.539 0.447 1.109 1.00 51.54 O ATOM 0 H GLY A 44 3.793 0.767 -0.761 1.00 21.01 H new ATOM 0 HA2 GLY A 44 3.602 3.233 0.555 1.00 35.43 H new ATOM 0 HA3 GLY A 44 2.236 3.120 -0.538 1.00 35.43 H new ATOM 673 N TYR A 45 1.304 2.218 1.742 1.00 23.05 N ATOM 674 CA TYR A 45 0.543 1.470 2.736 1.00 73.25 C ATOM 675 C TYR A 45 -0.955 1.571 2.463 1.00 70.31 C ATOM 676 O TYR A 45 -1.451 2.616 2.042 1.00 14.01 O ATOM 677 CB TYR A 45 0.852 1.986 4.142 1.00 43.34 C ATOM 678 CG TYR A 45 0.297 3.366 4.416 1.00 32.50 C ATOM 679 CD1 TYR A 45 -1.011 3.534 4.854 1.00 0.43 C ATOM 680 CD2 TYR A 45 1.079 4.500 4.236 1.00 31.42 C ATOM 681 CE1 TYR A 45 -1.523 4.793 5.106 1.00 72.44 C ATOM 682 CE2 TYR A 45 0.576 5.761 4.487 1.00 54.45 C ATOM 683 CZ TYR A 45 -0.726 5.903 4.921 1.00 61.22 C ATOM 684 OH TYR A 45 -1.231 7.158 5.170 1.00 55.22 O ATOM 0 H TYR A 45 1.048 3.203 1.668 1.00 23.05 H new ATOM 0 HA TYR A 45 0.838 0.423 2.669 1.00 73.25 H new ATOM 0 HB2 TYR A 45 0.445 1.288 4.874 1.00 43.34 H new ATOM 0 HB3 TYR A 45 1.933 2.003 4.284 1.00 43.34 H new ATOM 0 HD1 TYR A 45 -1.638 2.667 5.000 1.00 0.43 H new ATOM 0 HD2 TYR A 45 2.098 4.393 3.894 1.00 31.42 H new ATOM 0 HE1 TYR A 45 -2.542 4.907 5.446 1.00 72.44 H new ATOM 0 HE2 TYR A 45 1.199 6.632 4.344 1.00 54.45 H new ATOM 0 HH TYR A 45 -0.540 7.830 4.991 1.00 55.22 H new ATOM 694 N ILE A 46 -1.669 0.477 2.706 1.00 21.24 N ATOM 695 CA ILE A 46 -3.110 0.442 2.489 1.00 22.43 C ATOM 696 C ILE A 46 -3.827 -0.209 3.667 1.00 74.21 C ATOM 697 O ILE A 46 -3.497 -1.324 4.068 1.00 64.51 O ATOM 698 CB ILE A 46 -3.466 -0.322 1.200 1.00 54.50 C ATOM 699 CG1 ILE A 46 -2.753 0.302 -0.002 1.00 14.25 C ATOM 700 CG2 ILE A 46 -4.973 -0.325 0.986 1.00 43.21 C ATOM 701 CD1 ILE A 46 -2.773 -0.572 -1.236 1.00 42.31 C ATOM 0 H ILE A 46 -1.273 -0.397 3.053 1.00 21.24 H new ATOM 0 HA ILE A 46 -3.440 1.476 2.392 1.00 22.43 H new ATOM 0 HB ILE A 46 -3.131 -1.354 1.302 1.00 54.50 H new ATOM 0 HG12 ILE A 46 -3.221 1.258 -0.236 1.00 14.25 H new ATOM 0 HG13 ILE A 46 -1.718 0.512 0.268 1.00 14.25 H new ATOM 0 HG21 ILE A 46 -5.210 -0.869 0.071 1.00 43.21 H new ATOM 0 HG22 ILE A 46 -5.460 -0.810 1.832 1.00 43.21 H new ATOM 0 HG23 ILE A 46 -5.330 0.701 0.901 1.00 43.21 H new ATOM 0 HD11 ILE A 46 -2.250 -0.067 -2.048 1.00 42.31 H new ATOM 0 HD12 ILE A 46 -2.279 -1.519 -1.019 1.00 42.31 H new ATOM 0 HD13 ILE A 46 -3.805 -0.761 -1.531 1.00 42.31 H new ATOM 713 N GLU A 47 -4.813 0.495 4.215 1.00 4.12 N ATOM 714 CA GLU A 47 -5.578 -0.016 5.346 1.00 0.55 C ATOM 715 C GLU A 47 -6.937 -0.540 4.892 1.00 41.03 C ATOM 716 O GLU A 47 -7.755 0.208 4.358 1.00 74.14 O ATOM 717 CB GLU A 47 -5.768 1.079 6.398 1.00 4.43 C ATOM 718 CG GLU A 47 -4.464 1.700 6.873 1.00 73.30 C ATOM 719 CD GLU A 47 -4.631 3.141 7.315 1.00 21.42 C ATOM 720 OE1 GLU A 47 -4.773 4.017 6.437 1.00 14.31 O ATOM 721 OE2 GLU A 47 -4.619 3.392 8.538 1.00 23.32 O ATOM 0 H GLU A 47 -5.100 1.420 3.894 1.00 4.12 H new ATOM 0 HA GLU A 47 -5.018 -0.841 5.787 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -6.404 1.862 5.985 1.00 4.43 H new ATOM 0 HB3 GLU A 47 -6.295 0.660 7.255 1.00 4.43 H new ATOM 0 HG2 GLU A 47 -4.067 1.113 7.702 1.00 73.30 H new ATOM 0 HG3 GLU A 47 -3.730 1.653 6.069 1.00 73.30 H new ATOM 728 N MET A 48 -7.169 -1.831 5.107 1.00 2.33 N ATOM 729 CA MET A 48 -8.428 -2.456 4.720 1.00 13.43 C ATOM 730 C MET A 48 -9.513 -2.181 5.757 1.00 2.41 C ATOM 731 O MET A 48 -9.275 -1.496 6.752 1.00 14.25 O ATOM 732 CB MET A 48 -8.242 -3.964 4.548 1.00 70.31 C ATOM 733 CG MET A 48 -7.240 -4.333 3.466 1.00 73.23 C ATOM 734 SD MET A 48 -7.660 -3.626 1.861 1.00 45.10 S ATOM 735 CE MET A 48 -8.957 -4.740 1.328 1.00 24.32 C ATOM 0 H MET A 48 -6.501 -2.464 5.547 1.00 2.33 H new ATOM 0 HA MET A 48 -8.741 -2.025 3.769 1.00 13.43 H new ATOM 0 HB2 MET A 48 -7.915 -4.392 5.496 1.00 70.31 H new ATOM 0 HB3 MET A 48 -9.205 -4.416 4.309 1.00 70.31 H new ATOM 0 HG2 MET A 48 -6.249 -3.990 3.762 1.00 73.23 H new ATOM 0 HG3 MET A 48 -7.189 -5.418 3.379 1.00 73.23 H new ATOM 0 HE1 MET A 48 -8.911 -4.861 0.246 1.00 24.32 H new ATOM 0 HE2 MET A 48 -8.823 -5.710 1.807 1.00 24.32 H new ATOM 0 HE3 MET A 48 -9.927 -4.329 1.606 1.00 24.32 H new ATOM 745 N LYS A 49 -10.704 -2.718 5.518 1.00 70.24 N ATOM 746 CA LYS A 49 -11.826 -2.532 6.431 1.00 65.14 C ATOM 747 C LYS A 49 -11.421 -2.861 7.864 1.00 4.10 C ATOM 748 O LYS A 49 -11.471 -2.004 8.747 1.00 44.25 O ATOM 749 CB LYS A 49 -13.005 -3.411 6.008 1.00 21.13 C ATOM 750 CG LYS A 49 -14.327 -2.666 5.944 1.00 2.34 C ATOM 751 CD LYS A 49 -15.301 -3.339 4.992 1.00 12.15 C ATOM 752 CE LYS A 49 -15.746 -4.695 5.517 1.00 22.53 C ATOM 753 NZ LYS A 49 -16.802 -4.568 6.559 1.00 31.12 N ATOM 0 H LYS A 49 -10.918 -3.286 4.699 1.00 70.24 H new ATOM 0 HA LYS A 49 -12.128 -1.485 6.389 1.00 65.14 H new ATOM 0 HB2 LYS A 49 -12.793 -3.842 5.030 1.00 21.13 H new ATOM 0 HB3 LYS A 49 -13.099 -4.241 6.709 1.00 21.13 H new ATOM 0 HG2 LYS A 49 -14.766 -2.616 6.940 1.00 2.34 H new ATOM 0 HG3 LYS A 49 -14.152 -1.640 5.621 1.00 2.34 H new ATOM 0 HD2 LYS A 49 -16.172 -2.699 4.849 1.00 12.15 H new ATOM 0 HD3 LYS A 49 -14.831 -3.462 4.016 1.00 12.15 H new ATOM 0 HE2 LYS A 49 -16.122 -5.299 4.691 1.00 22.53 H new ATOM 0 HE3 LYS A 49 -14.888 -5.223 5.933 1.00 22.53 H new ATOM 0 HZ1 LYS A 49 -17.078 -5.514 6.891 1.00 31.12 H new ATOM 0 HZ2 LYS A 49 -16.435 -4.014 7.359 1.00 31.12 H new ATOM 0 HZ3 LYS A 49 -17.631 -4.087 6.156 1.00 31.12 H new ATOM 767 N LYS A 50 -11.018 -4.107 8.089 1.00 10.13 N ATOM 768 CA LYS A 50 -10.601 -4.549 9.415 1.00 73.13 C ATOM 769 C LYS A 50 -10.198 -6.020 9.396 1.00 43.13 C ATOM 770 O LYS A 50 -9.013 -6.349 9.457 1.00 41.01 O ATOM 771 CB LYS A 50 -11.730 -4.332 10.425 1.00 4.15 C ATOM 772 CG LYS A 50 -11.415 -3.275 11.470 1.00 54.21 C ATOM 773 CD LYS A 50 -12.634 -2.948 12.317 1.00 51.14 C ATOM 774 CE LYS A 50 -13.454 -1.823 11.703 1.00 62.21 C ATOM 775 NZ LYS A 50 -13.951 -0.872 12.735 1.00 30.12 N ATOM 0 H LYS A 50 -10.971 -4.829 7.370 1.00 10.13 H new ATOM 0 HA LYS A 50 -9.736 -3.957 9.713 1.00 73.13 H new ATOM 0 HB2 LYS A 50 -12.635 -4.044 9.890 1.00 4.15 H new ATOM 0 HB3 LYS A 50 -11.944 -5.276 10.927 1.00 4.15 H new ATOM 0 HG2 LYS A 50 -10.608 -3.627 12.113 1.00 54.21 H new ATOM 0 HG3 LYS A 50 -11.059 -2.370 10.978 1.00 54.21 H new ATOM 0 HD2 LYS A 50 -13.255 -3.838 12.421 1.00 51.14 H new ATOM 0 HD3 LYS A 50 -12.316 -2.662 13.320 1.00 51.14 H new ATOM 0 HE2 LYS A 50 -12.845 -1.285 10.976 1.00 62.21 H new ATOM 0 HE3 LYS A 50 -14.300 -2.245 11.160 1.00 62.21 H new ATOM 0 HZ1 LYS A 50 -14.505 -0.121 12.277 1.00 30.12 H new ATOM 0 HZ2 LYS A 50 -14.553 -1.380 13.414 1.00 30.12 H new ATOM 0 HZ3 LYS A 50 -13.143 -0.450 13.236 1.00 30.12 H new ATOM 789 N ARG A 51 -11.190 -6.900 9.309 1.00 2.00 N ATOM 790 CA ARG A 51 -10.937 -8.336 9.282 1.00 53.45 C ATOM 791 C ARG A 51 -10.692 -8.817 7.855 1.00 64.24 C ATOM 792 O ARG A 51 -11.307 -9.781 7.398 1.00 62.31 O ATOM 793 CB ARG A 51 -12.118 -9.094 9.891 1.00 24.31 C ATOM 794 CG ARG A 51 -11.750 -10.473 10.415 1.00 72.12 C ATOM 795 CD ARG A 51 -12.988 -11.285 10.763 1.00 51.20 C ATOM 796 NE ARG A 51 -13.036 -11.628 12.182 1.00 72.23 N ATOM 797 CZ ARG A 51 -13.915 -12.477 12.703 1.00 52.20 C ATOM 798 NH1 ARG A 51 -14.814 -13.066 11.926 1.00 11.44 N ATOM 799 NH2 ARG A 51 -13.896 -12.738 14.004 1.00 63.43 N ATOM 0 H ARG A 51 -12.176 -6.644 9.256 1.00 2.00 H new ATOM 0 HA ARG A 51 -10.043 -8.534 9.873 1.00 53.45 H new ATOM 0 HB2 ARG A 51 -12.536 -8.504 10.707 1.00 24.31 H new ATOM 0 HB3 ARG A 51 -12.900 -9.197 9.139 1.00 24.31 H new ATOM 0 HG2 ARG A 51 -11.164 -11.004 9.665 1.00 72.12 H new ATOM 0 HG3 ARG A 51 -11.120 -10.372 11.299 1.00 72.12 H new ATOM 0 HD2 ARG A 51 -13.880 -10.718 10.497 1.00 51.20 H new ATOM 0 HD3 ARG A 51 -13.001 -12.198 10.168 1.00 51.20 H new ATOM 0 HE ARG A 51 -12.358 -11.192 12.807 1.00 72.23 H new ATOM 0 HH11 ARG A 51 -14.832 -12.868 10.926 1.00 11.44 H new ATOM 0 HH12 ARG A 51 -15.488 -13.717 12.329 1.00 11.44 H new ATOM 0 HH21 ARG A 51 -13.206 -12.287 14.605 1.00 63.43 H new ATOM 0 HH22 ARG A 51 -14.571 -13.390 14.403 1.00 63.43 H new ATOM 813 N THR A 52 -9.788 -8.139 7.154 1.00 51.23 N ATOM 814 CA THR A 52 -9.462 -8.496 5.779 1.00 52.42 C ATOM 815 C THR A 52 -8.037 -9.026 5.672 1.00 71.15 C ATOM 816 O THR A 52 -7.074 -8.300 5.919 1.00 72.41 O ATOM 817 CB THR A 52 -9.622 -7.290 4.833 1.00 62.42 C ATOM 818 OG1 THR A 52 -10.640 -6.412 5.325 1.00 31.54 O ATOM 819 CG2 THR A 52 -9.978 -7.750 3.427 1.00 45.52 C ATOM 0 H THR A 52 -9.269 -7.339 7.516 1.00 51.23 H new ATOM 0 HA THR A 52 -10.161 -9.278 5.481 1.00 52.42 H new ATOM 0 HB THR A 52 -8.672 -6.757 4.795 1.00 62.42 H new ATOM 0 HG1 THR A 52 -10.959 -5.840 4.596 1.00 31.54 H new ATOM 0 HG21 THR A 52 -10.086 -6.882 2.777 1.00 45.52 H new ATOM 0 HG22 THR A 52 -9.187 -8.394 3.044 1.00 45.52 H new ATOM 0 HG23 THR A 52 -10.917 -8.304 3.452 1.00 45.52 H new ATOM 827 N SER A 53 -7.910 -10.296 5.300 1.00 22.14 N ATOM 828 CA SER A 53 -6.601 -10.925 5.163 1.00 12.23 C ATOM 829 C SER A 53 -5.935 -10.513 3.854 1.00 11.10 C ATOM 830 O SER A 53 -6.502 -9.752 3.068 1.00 25.20 O ATOM 831 CB SER A 53 -6.735 -12.448 5.224 1.00 42.33 C ATOM 832 OG SER A 53 -7.936 -12.879 4.608 1.00 71.10 O ATOM 0 H SER A 53 -8.697 -10.909 5.088 1.00 22.14 H new ATOM 0 HA SER A 53 -5.975 -10.589 5.990 1.00 12.23 H new ATOM 0 HB2 SER A 53 -5.882 -12.911 4.729 1.00 42.33 H new ATOM 0 HB3 SER A 53 -6.717 -12.777 6.263 1.00 42.33 H new ATOM 0 HG SER A 53 -7.997 -13.856 4.659 1.00 71.10 H new ATOM 838 N LEU A 54 -4.729 -11.020 3.626 1.00 22.52 N ATOM 839 CA LEU A 54 -3.983 -10.706 2.412 1.00 34.42 C ATOM 840 C LEU A 54 -4.828 -10.974 1.170 1.00 3.43 C ATOM 841 O LEU A 54 -4.673 -10.307 0.147 1.00 31.23 O ATOM 842 CB LEU A 54 -2.695 -11.529 2.354 1.00 72.32 C ATOM 843 CG LEU A 54 -1.838 -11.347 1.101 1.00 53.43 C ATOM 844 CD1 LEU A 54 -1.476 -9.882 0.910 1.00 13.24 C ATOM 845 CD2 LEU A 54 -0.582 -12.202 1.184 1.00 14.21 C ATOM 0 H LEU A 54 -4.246 -11.651 4.266 1.00 22.52 H new ATOM 0 HA LEU A 54 -3.729 -9.646 2.435 1.00 34.42 H new ATOM 0 HB2 LEU A 54 -2.088 -11.279 3.224 1.00 72.32 H new ATOM 0 HB3 LEU A 54 -2.957 -12.583 2.441 1.00 72.32 H new ATOM 0 HG LEU A 54 -2.418 -11.673 0.238 1.00 53.43 H new ATOM 0 HD11 LEU A 54 -0.866 -9.772 0.013 1.00 13.24 H new ATOM 0 HD12 LEU A 54 -2.387 -9.293 0.804 1.00 13.24 H new ATOM 0 HD13 LEU A 54 -0.915 -9.530 1.776 1.00 13.24 H new ATOM 0 HD21 LEU A 54 0.015 -12.059 0.284 1.00 14.21 H new ATOM 0 HD22 LEU A 54 0.001 -11.908 2.057 1.00 14.21 H new ATOM 0 HD23 LEU A 54 -0.862 -13.252 1.271 1.00 14.21 H new ATOM 857 N ALA A 55 -5.722 -11.952 1.268 1.00 12.44 N ATOM 858 CA ALA A 55 -6.594 -12.304 0.155 1.00 51.03 C ATOM 859 C ALA A 55 -7.366 -11.087 -0.344 1.00 71.34 C ATOM 860 O ALA A 55 -7.673 -10.978 -1.531 1.00 22.32 O ATOM 861 CB ALA A 55 -7.556 -13.409 0.566 1.00 25.13 C ATOM 0 H ALA A 55 -5.861 -12.515 2.107 1.00 12.44 H new ATOM 0 HA ALA A 55 -5.970 -12.666 -0.662 1.00 51.03 H new ATOM 0 HB1 ALA A 55 -8.201 -13.661 -0.276 1.00 25.13 H new ATOM 0 HB2 ALA A 55 -6.990 -14.291 0.867 1.00 25.13 H new ATOM 0 HB3 ALA A 55 -8.167 -13.067 1.402 1.00 25.13 H new ATOM 867 N GLY A 56 -7.678 -10.174 0.570 1.00 12.12 N ATOM 868 CA GLY A 56 -8.413 -8.977 0.203 1.00 22.41 C ATOM 869 C GLY A 56 -7.573 -8.005 -0.601 1.00 62.10 C ATOM 870 O GLY A 56 -8.044 -7.433 -1.584 1.00 23.24 O ATOM 0 H GLY A 56 -7.435 -10.241 1.558 1.00 12.12 H new ATOM 0 HA2 GLY A 56 -9.293 -9.258 -0.376 1.00 22.41 H new ATOM 0 HA3 GLY A 56 -8.771 -8.483 1.106 1.00 22.41 H new ATOM 874 N MET A 57 -6.326 -7.816 -0.182 1.00 63.12 N ATOM 875 CA MET A 57 -5.418 -6.905 -0.871 1.00 35.42 C ATOM 876 C MET A 57 -4.973 -7.489 -2.208 1.00 21.54 C ATOM 877 O MET A 57 -5.036 -6.822 -3.240 1.00 60.35 O ATOM 878 CB MET A 57 -4.197 -6.611 0.003 1.00 55.44 C ATOM 879 CG MET A 57 -4.533 -5.868 1.286 1.00 73.40 C ATOM 880 SD MET A 57 -4.203 -4.100 1.172 1.00 1.52 S ATOM 881 CE MET A 57 -4.872 -3.734 -0.449 1.00 10.35 C ATOM 0 H MET A 57 -5.921 -8.281 0.631 1.00 63.12 H new ATOM 0 HA MET A 57 -5.952 -5.974 -1.062 1.00 35.42 H new ATOM 0 HB2 MET A 57 -3.706 -7.551 0.255 1.00 55.44 H new ATOM 0 HB3 MET A 57 -3.482 -6.022 -0.572 1.00 55.44 H new ATOM 0 HG2 MET A 57 -5.585 -6.022 1.526 1.00 73.40 H new ATOM 0 HG3 MET A 57 -3.954 -6.289 2.108 1.00 73.40 H new ATOM 0 HE1 MET A 57 -4.663 -2.695 -0.702 1.00 10.35 H new ATOM 0 HE2 MET A 57 -4.410 -4.388 -1.189 1.00 10.35 H new ATOM 0 HE3 MET A 57 -5.950 -3.897 -0.443 1.00 10.35 H new ATOM 891 N LYS A 58 -4.522 -8.739 -2.181 1.00 60.13 N ATOM 892 CA LYS A 58 -4.066 -9.414 -3.391 1.00 34.23 C ATOM 893 C LYS A 58 -5.147 -9.391 -4.467 1.00 11.31 C ATOM 894 O LYS A 58 -4.848 -9.351 -5.661 1.00 35.13 O ATOM 895 CB LYS A 58 -3.676 -10.860 -3.076 1.00 72.22 C ATOM 896 CG LYS A 58 -4.866 -11.792 -2.926 1.00 31.14 C ATOM 897 CD LYS A 58 -4.425 -13.221 -2.654 1.00 43.43 C ATOM 898 CE LYS A 58 -3.580 -13.313 -1.393 1.00 45.11 C ATOM 899 NZ LYS A 58 -3.663 -14.662 -0.767 1.00 45.43 N ATOM 0 H LYS A 58 -4.463 -9.305 -1.335 1.00 60.13 H new ATOM 0 HA LYS A 58 -3.192 -8.882 -3.767 1.00 34.23 H new ATOM 0 HB2 LYS A 58 -3.030 -11.234 -3.870 1.00 72.22 H new ATOM 0 HB3 LYS A 58 -3.093 -10.878 -2.155 1.00 72.22 H new ATOM 0 HG2 LYS A 58 -5.501 -11.445 -2.111 1.00 31.14 H new ATOM 0 HG3 LYS A 58 -5.469 -11.763 -3.834 1.00 31.14 H new ATOM 0 HD2 LYS A 58 -5.302 -13.861 -2.553 1.00 43.43 H new ATOM 0 HD3 LYS A 58 -3.854 -13.595 -3.504 1.00 43.43 H new ATOM 0 HE2 LYS A 58 -2.541 -13.088 -1.635 1.00 45.11 H new ATOM 0 HE3 LYS A 58 -3.911 -12.560 -0.678 1.00 45.11 H new ATOM 0 HZ1 LYS A 58 -3.073 -14.684 0.089 1.00 45.43 H new ATOM 0 HZ2 LYS A 58 -4.651 -14.867 -0.513 1.00 45.43 H new ATOM 0 HZ3 LYS A 58 -3.323 -15.378 -1.440 1.00 45.43 H new ATOM 913 N LYS A 59 -6.404 -9.414 -4.037 1.00 71.02 N ATOM 914 CA LYS A 59 -7.530 -9.393 -4.963 1.00 53.41 C ATOM 915 C LYS A 59 -7.471 -8.163 -5.864 1.00 23.11 C ATOM 916 O LYS A 59 -7.906 -8.203 -7.016 1.00 0.15 O ATOM 917 CB LYS A 59 -8.852 -9.409 -4.192 1.00 2.15 C ATOM 918 CG LYS A 59 -10.061 -9.700 -5.063 1.00 33.51 C ATOM 919 CD LYS A 59 -11.133 -10.456 -4.295 1.00 10.53 C ATOM 920 CE LYS A 59 -11.161 -11.927 -4.678 1.00 21.34 C ATOM 921 NZ LYS A 59 -12.412 -12.595 -4.224 1.00 54.21 N ATOM 0 H LYS A 59 -6.669 -9.447 -3.052 1.00 71.02 H new ATOM 0 HA LYS A 59 -7.470 -10.284 -5.588 1.00 53.41 H new ATOM 0 HB2 LYS A 59 -8.794 -10.159 -3.404 1.00 2.15 H new ATOM 0 HB3 LYS A 59 -8.990 -8.444 -3.704 1.00 2.15 H new ATOM 0 HG2 LYS A 59 -10.473 -8.764 -5.439 1.00 33.51 H new ATOM 0 HG3 LYS A 59 -9.753 -10.284 -5.930 1.00 33.51 H new ATOM 0 HD2 LYS A 59 -10.950 -10.361 -3.225 1.00 10.53 H new ATOM 0 HD3 LYS A 59 -12.107 -10.009 -4.493 1.00 10.53 H new ATOM 0 HE2 LYS A 59 -11.071 -12.022 -5.760 1.00 21.34 H new ATOM 0 HE3 LYS A 59 -10.300 -12.433 -4.241 1.00 21.34 H new ATOM 0 HZ1 LYS A 59 -12.392 -13.596 -4.504 1.00 54.21 H new ATOM 0 HZ2 LYS A 59 -12.486 -12.527 -3.189 1.00 54.21 H new ATOM 0 HZ3 LYS A 59 -13.233 -12.129 -4.661 1.00 54.21 H new ATOM 935 N LEU A 60 -6.928 -7.073 -5.334 1.00 12.44 N ATOM 936 CA LEU A 60 -6.810 -5.831 -6.091 1.00 31.23 C ATOM 937 C LEU A 60 -5.595 -5.869 -7.012 1.00 3.45 C ATOM 938 O LEU A 60 -5.649 -5.393 -8.146 1.00 64.11 O ATOM 939 CB LEU A 60 -6.707 -4.638 -5.139 1.00 25.22 C ATOM 940 CG LEU A 60 -8.006 -4.208 -4.458 1.00 53.00 C ATOM 941 CD1 LEU A 60 -8.438 -5.242 -3.430 1.00 1.14 C ATOM 942 CD2 LEU A 60 -7.841 -2.842 -3.807 1.00 62.51 C ATOM 0 H LEU A 60 -6.562 -7.023 -4.383 1.00 12.44 H new ATOM 0 HA LEU A 60 -7.704 -5.721 -6.704 1.00 31.23 H new ATOM 0 HB2 LEU A 60 -5.977 -4.878 -4.366 1.00 25.22 H new ATOM 0 HB3 LEU A 60 -6.314 -3.788 -5.696 1.00 25.22 H new ATOM 0 HG LEU A 60 -8.784 -4.134 -5.218 1.00 53.00 H new ATOM 0 HD11 LEU A 60 -9.365 -4.918 -2.956 1.00 1.14 H new ATOM 0 HD12 LEU A 60 -8.598 -6.201 -3.923 1.00 1.14 H new ATOM 0 HD13 LEU A 60 -7.661 -5.349 -2.673 1.00 1.14 H new ATOM 0 HD21 LEU A 60 -8.776 -2.552 -3.327 1.00 62.51 H new ATOM 0 HD22 LEU A 60 -7.049 -2.888 -3.060 1.00 62.51 H new ATOM 0 HD23 LEU A 60 -7.580 -2.106 -4.567 1.00 62.51 H new ATOM 954 N ILE A 61 -4.501 -6.438 -6.516 1.00 71.14 N ATOM 955 CA ILE A 61 -3.274 -6.540 -7.296 1.00 62.41 C ATOM 956 C ILE A 61 -2.594 -7.887 -7.077 1.00 23.44 C ATOM 957 O ILE A 61 -1.594 -7.998 -6.367 1.00 3.30 O ATOM 958 CB ILE A 61 -2.285 -5.415 -6.940 1.00 0.42 C ATOM 959 CG1 ILE A 61 -2.942 -4.047 -7.140 1.00 24.23 C ATOM 960 CG2 ILE A 61 -1.024 -5.531 -7.783 1.00 2.03 C ATOM 961 CD1 ILE A 61 -3.496 -3.451 -5.865 1.00 3.33 C ATOM 0 H ILE A 61 -4.440 -6.835 -5.578 1.00 71.14 H new ATOM 0 HA ILE A 61 -3.558 -6.445 -8.344 1.00 62.41 H new ATOM 0 HB ILE A 61 -2.007 -5.514 -5.891 1.00 0.42 H new ATOM 0 HG12 ILE A 61 -2.210 -3.360 -7.565 1.00 24.23 H new ATOM 0 HG13 ILE A 61 -3.748 -4.143 -7.867 1.00 24.23 H new ATOM 0 HG21 ILE A 61 -0.335 -4.729 -7.519 1.00 2.03 H new ATOM 0 HG22 ILE A 61 -0.548 -6.494 -7.596 1.00 2.03 H new ATOM 0 HG23 ILE A 61 -1.284 -5.454 -8.839 1.00 2.03 H new ATOM 0 HD11 ILE A 61 -3.946 -2.482 -6.082 1.00 3.33 H new ATOM 0 HD12 ILE A 61 -4.252 -4.118 -5.450 1.00 3.33 H new ATOM 0 HD13 ILE A 61 -2.690 -3.323 -5.143 1.00 3.33 H new ATOM 973 N PRO A 62 -3.146 -8.938 -7.701 1.00 54.01 N ATOM 974 CA PRO A 62 -2.608 -10.297 -7.591 1.00 71.14 C ATOM 975 C PRO A 62 -1.271 -10.450 -8.307 1.00 64.54 C ATOM 976 O PRO A 62 -1.216 -10.511 -9.535 1.00 0.40 O ATOM 977 CB PRO A 62 -3.678 -11.158 -8.267 1.00 73.11 C ATOM 978 CG PRO A 62 -4.365 -10.235 -9.214 1.00 21.12 C ATOM 979 CD PRO A 62 -4.339 -8.880 -8.563 1.00 0.21 C ATOM 0 HA PRO A 62 -2.410 -10.574 -6.556 1.00 71.14 H new ATOM 0 HB2 PRO A 62 -3.233 -12.003 -8.791 1.00 73.11 H new ATOM 0 HB3 PRO A 62 -4.376 -11.568 -7.537 1.00 73.11 H new ATOM 0 HG2 PRO A 62 -3.856 -10.215 -10.178 1.00 21.12 H new ATOM 0 HG3 PRO A 62 -5.389 -10.559 -9.401 1.00 21.12 H new ATOM 0 HD2 PRO A 62 -4.263 -8.081 -9.301 1.00 0.21 H new ATOM 0 HD3 PRO A 62 -5.244 -8.695 -7.985 1.00 0.21 H new ATOM 987 N GLY A 63 -0.193 -10.514 -7.531 1.00 43.45 N ATOM 988 CA GLY A 63 1.130 -10.660 -8.110 1.00 2.21 C ATOM 989 C GLY A 63 2.102 -9.611 -7.607 1.00 51.43 C ATOM 990 O GLY A 63 2.704 -8.883 -8.397 1.00 32.42 O ATOM 0 H GLY A 63 -0.212 -10.467 -6.512 1.00 43.45 H new ATOM 0 HA2 GLY A 63 1.518 -11.652 -7.877 1.00 2.21 H new ATOM 0 HA3 GLY A 63 1.058 -10.593 -9.196 1.00 2.21 H new ATOM 994 N ALA A 64 2.254 -9.530 -6.289 1.00 64.55 N ATOM 995 CA ALA A 64 3.160 -8.563 -5.683 1.00 1.13 C ATOM 996 C ALA A 64 3.566 -8.997 -4.278 1.00 42.34 C ATOM 997 O ALA A 64 3.030 -9.964 -3.737 1.00 71.10 O ATOM 998 CB ALA A 64 2.514 -7.186 -5.646 1.00 34.04 C ATOM 0 H ALA A 64 1.761 -10.123 -5.621 1.00 64.55 H new ATOM 0 HA ALA A 64 4.061 -8.513 -6.294 1.00 1.13 H new ATOM 0 HB1 ALA A 64 3.202 -6.473 -5.191 1.00 34.04 H new ATOM 0 HB2 ALA A 64 2.280 -6.866 -6.662 1.00 34.04 H new ATOM 0 HB3 ALA A 64 1.597 -7.230 -5.059 1.00 34.04 H new ATOM 1004 N HIS A 65 4.517 -8.276 -3.693 1.00 44.21 N ATOM 1005 CA HIS A 65 4.996 -8.587 -2.351 1.00 14.13 C ATOM 1006 C HIS A 65 4.242 -7.773 -1.303 1.00 75.12 C ATOM 1007 O HIS A 65 4.388 -6.553 -1.227 1.00 31.14 O ATOM 1008 CB HIS A 65 6.496 -8.312 -2.244 1.00 52.42 C ATOM 1009 CG HIS A 65 7.158 -9.034 -1.112 1.00 4.12 C ATOM 1010 ND1 HIS A 65 8.325 -9.754 -1.258 1.00 44.34 N ATOM 1011 CD2 HIS A 65 6.812 -9.143 0.192 1.00 20.21 C ATOM 1012 CE1 HIS A 65 8.667 -10.276 -0.094 1.00 41.01 C ATOM 1013 NE2 HIS A 65 7.765 -9.920 0.803 1.00 64.00 N ATOM 0 H HIS A 65 4.971 -7.472 -4.127 1.00 44.21 H new ATOM 0 HA HIS A 65 4.815 -9.645 -2.164 1.00 14.13 H new ATOM 0 HB2 HIS A 65 6.977 -8.600 -3.179 1.00 52.42 H new ATOM 0 HB3 HIS A 65 6.653 -7.240 -2.122 1.00 52.42 H new ATOM 0 HD2 HIS A 65 5.947 -8.701 0.664 1.00 20.21 H new ATOM 0 HE1 HIS A 65 9.536 -10.889 0.093 1.00 41.01 H new ATOM 0 HE2 HIS A 65 7.775 -10.180 1.789 1.00 64.00 H new ATOM 1021 N PHE A 66 3.434 -8.456 -0.499 1.00 21.42 N ATOM 1022 CA PHE A 66 2.656 -7.797 0.543 1.00 54.20 C ATOM 1023 C PHE A 66 3.169 -8.177 1.929 1.00 43.53 C ATOM 1024 O PHE A 66 3.822 -9.206 2.099 1.00 15.10 O ATOM 1025 CB PHE A 66 1.177 -8.168 0.416 1.00 55.52 C ATOM 1026 CG PHE A 66 0.365 -7.148 -0.331 1.00 40.11 C ATOM 1027 CD1 PHE A 66 0.318 -7.159 -1.716 1.00 24.32 C ATOM 1028 CD2 PHE A 66 -0.351 -6.178 0.352 1.00 42.43 C ATOM 1029 CE1 PHE A 66 -0.428 -6.223 -2.406 1.00 44.32 C ATOM 1030 CE2 PHE A 66 -1.099 -5.239 -0.333 1.00 42.23 C ATOM 1031 CZ PHE A 66 -1.136 -5.261 -1.714 1.00 13.42 C ATOM 0 H PHE A 66 3.301 -9.466 -0.549 1.00 21.42 H new ATOM 0 HA PHE A 66 2.766 -6.720 0.417 1.00 54.20 H new ATOM 0 HB2 PHE A 66 1.094 -9.129 -0.091 1.00 55.52 H new ATOM 0 HB3 PHE A 66 0.756 -8.297 1.413 1.00 55.52 H new ATOM 0 HD1 PHE A 66 0.871 -7.908 -2.263 1.00 24.32 H new ATOM 0 HD2 PHE A 66 -0.324 -6.155 1.431 1.00 42.43 H new ATOM 0 HE1 PHE A 66 -0.457 -6.244 -3.485 1.00 44.32 H new ATOM 0 HE2 PHE A 66 -1.654 -4.489 0.211 1.00 42.23 H new ATOM 0 HZ PHE A 66 -1.718 -4.527 -2.251 1.00 13.42 H new ATOM 1041 N GLU A 67 2.870 -7.337 2.915 1.00 43.31 N ATOM 1042 CA GLU A 67 3.303 -7.584 4.285 1.00 2.42 C ATOM 1043 C GLU A 67 2.257 -7.096 5.283 1.00 55.33 C ATOM 1044 O GLU A 67 1.927 -5.910 5.325 1.00 72.23 O ATOM 1045 CB GLU A 67 4.641 -6.891 4.554 1.00 61.25 C ATOM 1046 CG GLU A 67 5.825 -7.843 4.576 1.00 43.13 C ATOM 1047 CD GLU A 67 6.685 -7.675 5.813 1.00 23.33 C ATOM 1048 OE1 GLU A 67 7.510 -6.737 5.840 1.00 72.55 O ATOM 1049 OE2 GLU A 67 6.535 -8.481 6.755 1.00 75.30 O ATOM 0 H GLU A 67 2.330 -6.480 2.791 1.00 43.31 H new ATOM 0 HA GLU A 67 3.427 -8.660 4.411 1.00 2.42 H new ATOM 0 HB2 GLU A 67 4.809 -6.133 3.788 1.00 61.25 H new ATOM 0 HB3 GLU A 67 4.586 -6.371 5.510 1.00 61.25 H new ATOM 0 HG2 GLU A 67 5.462 -8.870 4.527 1.00 43.13 H new ATOM 0 HG3 GLU A 67 6.436 -7.678 3.688 1.00 43.13 H new ATOM 1056 N LYS A 68 1.737 -8.019 6.085 1.00 53.23 N ATOM 1057 CA LYS A 68 0.728 -7.685 7.083 1.00 32.21 C ATOM 1058 C LYS A 68 1.290 -7.830 8.494 1.00 74.42 C ATOM 1059 O LYS A 68 0.577 -7.635 9.479 1.00 63.32 O ATOM 1060 CB LYS A 68 -0.500 -8.583 6.917 1.00 73.11 C ATOM 1061 CG LYS A 68 -0.264 -9.774 6.005 1.00 62.42 C ATOM 1062 CD LYS A 68 -1.395 -10.785 6.102 1.00 4.45 C ATOM 1063 CE LYS A 68 -0.864 -12.204 6.234 1.00 72.14 C ATOM 1064 NZ LYS A 68 -1.734 -13.043 7.103 1.00 34.22 N ATOM 0 H LYS A 68 1.998 -9.005 6.063 1.00 53.23 H new ATOM 0 HA LYS A 68 0.434 -6.646 6.933 1.00 32.21 H new ATOM 0 HB2 LYS A 68 -0.812 -8.943 7.898 1.00 73.11 H new ATOM 0 HB3 LYS A 68 -1.323 -7.989 6.519 1.00 73.11 H new ATOM 0 HG2 LYS A 68 -0.169 -9.431 4.975 1.00 62.42 H new ATOM 0 HG3 LYS A 68 0.678 -10.254 6.269 1.00 62.42 H new ATOM 0 HD2 LYS A 68 -2.023 -10.549 6.961 1.00 4.45 H new ATOM 0 HD3 LYS A 68 -2.026 -10.712 5.216 1.00 4.45 H new ATOM 0 HE2 LYS A 68 -0.792 -12.658 5.246 1.00 72.14 H new ATOM 0 HE3 LYS A 68 0.144 -12.177 6.647 1.00 72.14 H new ATOM 0 HZ1 LYS A 68 -1.338 -14.003 7.168 1.00 34.22 H new ATOM 0 HZ2 LYS A 68 -1.783 -12.624 8.054 1.00 34.22 H new ATOM 0 HZ3 LYS A 68 -2.690 -13.090 6.696 1.00 34.22 H new ATOM 1078 N ARG A 69 2.571 -8.172 8.583 1.00 33.34 N ATOM 1079 CA ARG A 69 3.228 -8.343 9.874 1.00 54.23 C ATOM 1080 C ARG A 69 2.944 -7.155 10.789 1.00 20.52 C ATOM 1081 O ARG A 69 2.669 -7.327 11.977 1.00 3.40 O ATOM 1082 CB ARG A 69 4.737 -8.505 9.684 1.00 32.32 C ATOM 1083 CG ARG A 69 5.206 -9.950 9.742 1.00 51.11 C ATOM 1084 CD ARG A 69 6.568 -10.067 10.408 1.00 33.32 C ATOM 1085 NE ARG A 69 7.659 -9.983 9.441 1.00 21.45 N ATOM 1086 CZ ARG A 69 8.903 -10.370 9.702 1.00 40.10 C ATOM 1087 NH1 ARG A 69 9.211 -10.865 10.893 1.00 43.32 N ATOM 1088 NH2 ARG A 69 9.841 -10.262 8.770 1.00 25.21 N ATOM 0 H ARG A 69 3.175 -8.336 7.777 1.00 33.34 H new ATOM 0 HA ARG A 69 2.829 -9.243 10.341 1.00 54.23 H new ATOM 0 HB2 ARG A 69 5.022 -8.078 8.722 1.00 32.32 H new ATOM 0 HB3 ARG A 69 5.255 -7.932 10.453 1.00 32.32 H new ATOM 0 HG2 ARG A 69 4.479 -10.548 10.291 1.00 51.11 H new ATOM 0 HG3 ARG A 69 5.257 -10.358 8.733 1.00 51.11 H new ATOM 0 HD2 ARG A 69 6.678 -9.275 11.149 1.00 33.32 H new ATOM 0 HD3 ARG A 69 6.630 -11.015 10.943 1.00 33.32 H new ATOM 0 HE ARG A 69 7.455 -9.607 8.515 1.00 21.45 H new ATOM 0 HH11 ARG A 69 8.492 -10.950 11.612 1.00 43.32 H new ATOM 0 HH12 ARG A 69 10.167 -11.161 11.090 1.00 43.32 H new ATOM 0 HH21 ARG A 69 9.607 -9.882 7.853 1.00 25.21 H new ATOM 0 HH22 ARG A 69 10.796 -10.559 8.971 1.00 25.21 H new ATOM 1102 N ARG A 70 3.013 -5.953 10.228 1.00 2.44 N ATOM 1103 CA ARG A 70 2.766 -4.737 10.994 1.00 31.14 C ATOM 1104 C ARG A 70 2.900 -3.501 10.110 1.00 4.44 C ATOM 1105 O ARG A 70 3.301 -2.434 10.574 1.00 24.02 O ATOM 1106 CB ARG A 70 3.739 -4.644 12.171 1.00 14.15 C ATOM 1107 CG ARG A 70 3.061 -4.348 13.499 1.00 0.34 C ATOM 1108 CD ARG A 70 3.057 -5.568 14.407 1.00 11.20 C ATOM 1109 NE ARG A 70 2.986 -5.200 15.819 1.00 44.34 N ATOM 1110 CZ ARG A 70 3.226 -6.048 16.812 1.00 34.32 C ATOM 1111 NH1 ARG A 70 3.550 -7.307 16.550 1.00 54.10 N ATOM 1112 NH2 ARG A 70 3.141 -5.638 18.071 1.00 24.13 N ATOM 0 H ARG A 70 3.238 -5.795 9.246 1.00 2.44 H new ATOM 0 HA ARG A 70 1.746 -4.779 11.377 1.00 31.14 H new ATOM 0 HB2 ARG A 70 4.287 -5.583 12.254 1.00 14.15 H new ATOM 0 HB3 ARG A 70 4.472 -3.864 11.965 1.00 14.15 H new ATOM 0 HG2 ARG A 70 3.575 -3.525 13.996 1.00 0.34 H new ATOM 0 HG3 ARG A 70 2.036 -4.022 13.321 1.00 0.34 H new ATOM 0 HD2 ARG A 70 2.209 -6.204 14.155 1.00 11.20 H new ATOM 0 HD3 ARG A 70 3.959 -6.154 14.230 1.00 11.20 H new ATOM 0 HE ARG A 70 2.739 -4.239 16.055 1.00 44.34 H new ATOM 0 HH11 ARG A 70 3.615 -7.626 15.583 1.00 54.10 H new ATOM 0 HH12 ARG A 70 3.734 -7.956 17.315 1.00 54.10 H new ATOM 0 HH21 ARG A 70 2.891 -4.671 18.277 1.00 24.13 H new ATOM 0 HH22 ARG A 70 3.326 -6.290 18.833 1.00 24.13 H new ATOM 1126 N GLY A 71 2.563 -3.653 8.833 1.00 15.54 N ATOM 1127 CA GLY A 71 2.653 -2.541 7.905 1.00 62.03 C ATOM 1128 C GLY A 71 3.974 -1.805 8.009 1.00 11.52 C ATOM 1129 O GLY A 71 5.029 -2.358 7.698 1.00 2.01 O ATOM 0 H GLY A 71 2.229 -4.526 8.425 1.00 15.54 H new ATOM 0 HA2 GLY A 71 2.525 -2.910 6.887 1.00 62.03 H new ATOM 0 HA3 GLY A 71 1.837 -1.845 8.097 1.00 62.03 H new ATOM 1133 N THR A 72 3.918 -0.550 8.447 1.00 35.52 N ATOM 1134 CA THR A 72 5.118 0.264 8.589 1.00 14.21 C ATOM 1135 C THR A 72 5.140 0.981 9.934 1.00 33.13 C ATOM 1136 O THR A 72 5.774 2.026 10.080 1.00 34.41 O ATOM 1137 CB THR A 72 5.224 1.309 7.462 1.00 70.30 C ATOM 1138 OG1 THR A 72 3.960 1.450 6.804 1.00 61.32 O ATOM 1139 CG2 THR A 72 6.286 0.907 6.450 1.00 24.41 C ATOM 0 H THR A 72 3.054 -0.076 8.709 1.00 35.52 H new ATOM 0 HA THR A 72 5.969 -0.414 8.528 1.00 14.21 H new ATOM 0 HB THR A 72 5.510 2.262 7.906 1.00 70.30 H new ATOM 0 HG1 THR A 72 4.040 2.105 6.080 1.00 61.32 H new ATOM 0 HG21 THR A 72 6.343 1.660 5.664 1.00 24.41 H new ATOM 0 HG22 THR A 72 7.252 0.829 6.948 1.00 24.41 H new ATOM 0 HG23 THR A 72 6.025 -0.056 6.012 1.00 24.41 H new ATOM 1147 N GLN A 73 4.444 0.412 10.914 1.00 5.30 N ATOM 1148 CA GLN A 73 4.385 0.998 12.248 1.00 42.42 C ATOM 1149 C GLN A 73 3.985 2.468 12.179 1.00 12.41 C ATOM 1150 O GLN A 73 3.535 2.952 11.141 1.00 31.21 O ATOM 1151 CB GLN A 73 5.737 0.858 12.950 1.00 11.11 C ATOM 1152 CG GLN A 73 5.625 0.440 14.407 1.00 31.42 C ATOM 1153 CD GLN A 73 6.721 -0.522 14.824 1.00 14.42 C ATOM 1154 OE1 GLN A 73 7.829 -0.487 14.290 1.00 44.23 O ATOM 1155 NE2 GLN A 73 6.416 -1.387 15.784 1.00 74.00 N ATOM 0 H GLN A 73 3.914 -0.453 10.809 1.00 5.30 H new ATOM 0 HA GLN A 73 3.629 0.461 12.820 1.00 42.42 H new ATOM 0 HB2 GLN A 73 6.340 0.124 12.415 1.00 11.11 H new ATOM 0 HB3 GLN A 73 6.267 1.809 12.893 1.00 11.11 H new ATOM 0 HG2 GLN A 73 5.665 1.327 15.040 1.00 31.42 H new ATOM 0 HG3 GLN A 73 4.654 -0.027 14.574 1.00 31.42 H new ATOM 0 HE21 GLN A 73 5.484 -1.381 16.199 1.00 74.00 H new ATOM 0 HE22 GLN A 73 7.113 -2.058 16.106 1.00 74.00 H new ATOM 1164 N GLY A 74 4.151 3.175 13.293 1.00 4.02 N ATOM 1165 CA GLY A 74 3.802 4.583 13.338 1.00 71.21 C ATOM 1166 C GLY A 74 4.758 5.443 12.536 1.00 1.31 C ATOM 1167 O GLY A 74 4.532 6.641 12.368 1.00 4.22 O ATOM 0 H GLY A 74 4.521 2.797 14.165 1.00 4.02 H new ATOM 0 HA2 GLY A 74 2.790 4.716 12.955 1.00 71.21 H new ATOM 0 HA3 GLY A 74 3.797 4.920 14.375 1.00 71.21 H new ATOM 1171 N GLU A 75 5.830 4.832 12.041 1.00 34.53 N ATOM 1172 CA GLU A 75 6.824 5.551 11.255 1.00 5.50 C ATOM 1173 C GLU A 75 6.280 5.895 9.871 1.00 20.44 C ATOM 1174 O GLU A 75 6.711 6.863 9.246 1.00 70.32 O ATOM 1175 CB GLU A 75 8.101 4.719 11.121 1.00 60.43 C ATOM 1176 CG GLU A 75 9.375 5.547 11.157 1.00 34.52 C ATOM 1177 CD GLU A 75 10.593 4.727 11.536 1.00 33.21 C ATOM 1178 OE1 GLU A 75 10.696 3.570 11.078 1.00 71.21 O ATOM 1179 OE2 GLU A 75 11.443 5.243 12.291 1.00 1.21 O ATOM 0 H GLU A 75 6.032 3.841 12.171 1.00 34.53 H new ATOM 0 HA GLU A 75 7.057 6.480 11.775 1.00 5.50 H new ATOM 0 HB2 GLU A 75 8.132 3.985 11.926 1.00 60.43 H new ATOM 0 HB3 GLU A 75 8.066 4.163 10.184 1.00 60.43 H new ATOM 0 HG2 GLU A 75 9.537 6.001 10.179 1.00 34.52 H new ATOM 0 HG3 GLU A 75 9.254 6.362 11.870 1.00 34.52 H new ATOM 1186 N ALA A 76 5.331 5.093 9.400 1.00 35.11 N ATOM 1187 CA ALA A 76 4.726 5.312 8.092 1.00 31.40 C ATOM 1188 C ALA A 76 3.995 6.649 8.042 1.00 45.35 C ATOM 1189 O ALA A 76 3.677 7.153 6.964 1.00 3.23 O ATOM 1190 CB ALA A 76 3.773 4.175 7.754 1.00 31.43 C ATOM 0 H ALA A 76 4.965 4.286 9.905 1.00 35.11 H new ATOM 0 HA ALA A 76 5.524 5.336 7.350 1.00 31.40 H new ATOM 0 HB1 ALA A 76 3.329 4.352 6.775 1.00 31.43 H new ATOM 0 HB2 ALA A 76 4.321 3.233 7.739 1.00 31.43 H new ATOM 0 HB3 ALA A 76 2.986 4.125 8.506 1.00 31.43 H new ATOM 1196 N ARG A 77 3.732 7.219 9.213 1.00 30.10 N ATOM 1197 CA ARG A 77 3.037 8.497 9.302 1.00 50.42 C ATOM 1198 C ARG A 77 3.969 9.649 8.939 1.00 44.42 C ATOM 1199 O ARG A 77 3.541 10.798 8.832 1.00 74.12 O ATOM 1200 CB ARG A 77 2.480 8.703 10.712 1.00 62.42 C ATOM 1201 CG ARG A 77 0.995 8.403 10.830 1.00 52.03 C ATOM 1202 CD ARG A 77 0.741 6.920 11.048 1.00 23.43 C ATOM 1203 NE ARG A 77 -0.452 6.681 11.856 1.00 40.42 N ATOM 1204 CZ ARG A 77 -0.888 5.470 12.184 1.00 45.21 C ATOM 1205 NH1 ARG A 77 -0.231 4.393 11.776 1.00 70.10 N ATOM 1206 NH2 ARG A 77 -1.982 5.335 12.922 1.00 22.31 N ATOM 0 H ARG A 77 3.990 6.816 10.114 1.00 30.10 H new ATOM 0 HA ARG A 77 2.211 8.482 8.591 1.00 50.42 H new ATOM 0 HB2 ARG A 77 3.027 8.065 11.406 1.00 62.42 H new ATOM 0 HB3 ARG A 77 2.659 9.734 11.017 1.00 62.42 H new ATOM 0 HG2 ARG A 77 0.573 8.971 11.659 1.00 52.03 H new ATOM 0 HG3 ARG A 77 0.483 8.732 9.925 1.00 52.03 H new ATOM 0 HD2 ARG A 77 0.630 6.426 10.083 1.00 23.43 H new ATOM 0 HD3 ARG A 77 1.606 6.472 11.538 1.00 23.43 H new ATOM 0 HE ARG A 77 -0.980 7.489 12.187 1.00 40.42 H new ATOM 0 HH11 ARG A 77 0.611 4.494 11.209 1.00 70.10 H new ATOM 0 HH12 ARG A 77 -0.568 3.464 12.029 1.00 70.10 H new ATOM 0 HH21 ARG A 77 -2.489 6.162 13.238 1.00 22.31 H new ATOM 0 HH22 ARG A 77 -2.316 4.405 13.173 1.00 22.31 H new ATOM 1220 N ALA A 78 5.247 9.334 8.751 1.00 34.53 N ATOM 1221 CA ALA A 78 6.239 10.341 8.399 1.00 1.31 C ATOM 1222 C ALA A 78 7.163 9.839 7.295 1.00 42.31 C ATOM 1223 O ALA A 78 7.278 10.460 6.238 1.00 54.12 O ATOM 1224 CB ALA A 78 7.047 10.738 9.626 1.00 14.21 C ATOM 0 H ALA A 78 5.619 8.388 8.837 1.00 34.53 H new ATOM 0 HA ALA A 78 5.712 11.219 8.025 1.00 1.31 H new ATOM 0 HB1 ALA A 78 7.784 11.491 9.348 1.00 14.21 H new ATOM 0 HB2 ALA A 78 6.379 11.146 10.385 1.00 14.21 H new ATOM 0 HB3 ALA A 78 7.557 9.861 10.025 1.00 14.21 H new ATOM 1230 N TYR A 79 7.821 8.713 7.547 1.00 0.20 N ATOM 1231 CA TYR A 79 8.738 8.130 6.575 1.00 21.31 C ATOM 1232 C TYR A 79 7.986 7.646 5.339 1.00 62.20 C ATOM 1233 O TYR A 79 8.299 8.039 4.215 1.00 35.01 O ATOM 1234 CB TYR A 79 9.509 6.968 7.204 1.00 45.11 C ATOM 1235 CG TYR A 79 10.601 6.415 6.316 1.00 72.23 C ATOM 1236 CD1 TYR A 79 11.500 7.261 5.678 1.00 23.34 C ATOM 1237 CD2 TYR A 79 10.732 5.047 6.113 1.00 61.41 C ATOM 1238 CE1 TYR A 79 12.499 6.760 4.865 1.00 33.14 C ATOM 1239 CE2 TYR A 79 11.728 4.537 5.303 1.00 62.11 C ATOM 1240 CZ TYR A 79 12.609 5.397 4.681 1.00 11.42 C ATOM 1241 OH TYR A 79 13.602 4.894 3.872 1.00 34.44 O ATOM 0 H TYR A 79 7.736 8.186 8.416 1.00 0.20 H new ATOM 0 HA TYR A 79 9.443 8.903 6.269 1.00 21.31 H new ATOM 0 HB2 TYR A 79 9.950 7.302 8.143 1.00 45.11 H new ATOM 0 HB3 TYR A 79 8.810 6.168 7.447 1.00 45.11 H new ATOM 0 HD1 TYR A 79 11.417 8.328 5.820 1.00 23.34 H new ATOM 0 HD2 TYR A 79 10.043 4.370 6.597 1.00 61.41 H new ATOM 0 HE1 TYR A 79 13.190 7.431 4.377 1.00 33.14 H new ATOM 0 HE2 TYR A 79 11.816 3.471 5.157 1.00 62.11 H new ATOM 0 HH TYR A 79 13.542 3.916 3.850 1.00 34.44 H new ATOM 1251 N SER A 80 6.993 6.790 5.556 1.00 32.20 N ATOM 1252 CA SER A 80 6.197 6.249 4.461 1.00 70.45 C ATOM 1253 C SER A 80 7.022 5.282 3.616 1.00 34.21 C ATOM 1254 O SER A 80 6.823 4.069 3.670 1.00 34.41 O ATOM 1255 CB SER A 80 5.662 7.381 3.583 1.00 52.53 C ATOM 1256 OG SER A 80 5.201 8.464 4.372 1.00 2.42 O ATOM 0 H SER A 80 6.720 6.456 6.480 1.00 32.20 H new ATOM 0 HA SER A 80 5.357 5.704 4.891 1.00 70.45 H new ATOM 0 HB2 SER A 80 6.447 7.726 2.910 1.00 52.53 H new ATOM 0 HB3 SER A 80 4.849 7.009 2.960 1.00 52.53 H new ATOM 0 HG SER A 80 4.721 8.118 5.154 1.00 2.42 H new ATOM 1262 N MET A 81 7.948 5.829 2.836 1.00 1.34 N ATOM 1263 CA MET A 81 8.804 5.016 1.981 1.00 64.21 C ATOM 1264 C MET A 81 10.224 5.573 1.946 1.00 61.51 C ATOM 1265 O MET A 81 10.576 6.455 2.729 1.00 55.31 O ATOM 1266 CB MET A 81 8.233 4.954 0.563 1.00 64.41 C ATOM 1267 CG MET A 81 6.728 4.747 0.523 1.00 60.54 C ATOM 1268 SD MET A 81 5.817 6.297 0.387 1.00 61.43 S ATOM 1269 CE MET A 81 4.150 5.741 0.733 1.00 11.12 C ATOM 0 H MET A 81 8.125 6.832 2.778 1.00 1.34 H new ATOM 0 HA MET A 81 8.838 4.009 2.396 1.00 64.21 H new ATOM 0 HB2 MET A 81 8.478 5.879 0.040 1.00 64.41 H new ATOM 0 HB3 MET A 81 8.718 4.143 0.020 1.00 64.41 H new ATOM 0 HG2 MET A 81 6.476 4.106 -0.322 1.00 60.54 H new ATOM 0 HG3 MET A 81 6.413 4.223 1.425 1.00 60.54 H new ATOM 0 HE1 MET A 81 3.530 6.596 1.001 1.00 11.12 H new ATOM 0 HE2 MET A 81 3.737 5.256 -0.152 1.00 11.12 H new ATOM 0 HE3 MET A 81 4.167 5.032 1.560 1.00 11.12 H new ATOM 1279 N LYS A 82 11.037 5.051 1.033 1.00 20.04 N ATOM 1280 CA LYS A 82 12.419 5.496 0.895 1.00 34.11 C ATOM 1281 C LYS A 82 12.500 6.765 0.053 1.00 52.12 C ATOM 1282 O LYS A 82 12.292 6.730 -1.160 1.00 25.15 O ATOM 1283 CB LYS A 82 13.270 4.394 0.260 1.00 53.14 C ATOM 1284 CG LYS A 82 14.761 4.573 0.483 1.00 64.23 C ATOM 1285 CD LYS A 82 15.352 3.410 1.263 1.00 52.12 C ATOM 1286 CE LYS A 82 16.835 3.240 0.972 1.00 30.22 C ATOM 1287 NZ LYS A 82 17.091 2.110 0.037 1.00 73.32 N ATOM 0 H LYS A 82 10.762 4.319 0.378 1.00 20.04 H new ATOM 0 HA LYS A 82 12.805 5.716 1.890 1.00 34.11 H new ATOM 0 HB2 LYS A 82 12.963 3.430 0.666 1.00 53.14 H new ATOM 0 HB3 LYS A 82 13.072 4.366 -0.812 1.00 53.14 H new ATOM 0 HG2 LYS A 82 15.266 4.661 -0.479 1.00 64.23 H new ATOM 0 HG3 LYS A 82 14.940 5.503 1.023 1.00 64.23 H new ATOM 0 HD2 LYS A 82 15.206 3.575 2.331 1.00 52.12 H new ATOM 0 HD3 LYS A 82 14.822 2.492 1.007 1.00 52.12 H new ATOM 0 HE2 LYS A 82 17.229 4.162 0.544 1.00 30.22 H new ATOM 0 HE3 LYS A 82 17.371 3.067 1.905 1.00 30.22 H new ATOM 0 HZ1 LYS A 82 18.113 2.027 -0.136 1.00 73.32 H new ATOM 0 HZ2 LYS A 82 16.738 1.226 0.456 1.00 73.32 H new ATOM 0 HZ3 LYS A 82 16.601 2.286 -0.863 1.00 73.32 H new ATOM 1301 N GLU A 83 12.804 7.884 0.704 1.00 71.52 N ATOM 1302 CA GLU A 83 12.913 9.163 0.013 1.00 10.10 C ATOM 1303 C GLU A 83 14.055 9.140 -0.998 1.00 64.34 C ATOM 1304 O GLU A 83 13.970 9.755 -2.061 1.00 63.04 O ATOM 1305 CB GLU A 83 13.132 10.294 1.020 1.00 54.43 C ATOM 1306 CG GLU A 83 11.870 10.700 1.763 1.00 51.22 C ATOM 1307 CD GLU A 83 12.160 11.263 3.141 1.00 71.12 C ATOM 1308 OE1 GLU A 83 13.109 12.064 3.267 1.00 24.35 O ATOM 1309 OE2 GLU A 83 11.436 10.902 4.093 1.00 62.15 O ATOM 0 H GLU A 83 12.979 7.930 1.708 1.00 71.52 H new ATOM 0 HA GLU A 83 11.980 9.338 -0.523 1.00 10.10 H new ATOM 0 HB2 GLU A 83 13.886 9.984 1.744 1.00 54.43 H new ATOM 0 HB3 GLU A 83 13.531 11.163 0.497 1.00 54.43 H new ATOM 0 HG2 GLU A 83 11.331 11.444 1.177 1.00 51.22 H new ATOM 0 HG3 GLU A 83 11.215 9.834 1.859 1.00 51.22 H new ATOM 1316 N ASP A 84 15.123 8.426 -0.659 1.00 43.12 N ATOM 1317 CA ASP A 84 16.283 8.321 -1.537 1.00 2.32 C ATOM 1318 C ASP A 84 15.878 7.802 -2.913 1.00 4.11 C ATOM 1319 O ASP A 84 16.428 8.219 -3.933 1.00 10.51 O ATOM 1320 CB ASP A 84 17.335 7.399 -0.919 1.00 62.20 C ATOM 1321 CG ASP A 84 18.750 7.846 -1.228 1.00 25.00 C ATOM 1322 OD1 ASP A 84 19.126 7.847 -2.419 1.00 62.42 O ATOM 1323 OD2 ASP A 84 19.482 8.196 -0.279 1.00 2.12 O ATOM 0 H ASP A 84 15.210 7.911 0.217 1.00 43.12 H new ATOM 0 HA ASP A 84 16.709 9.317 -1.656 1.00 2.32 H new ATOM 0 HB2 ASP A 84 17.195 7.366 0.162 1.00 62.20 H new ATOM 0 HB3 ASP A 84 17.188 6.385 -1.290 1.00 62.20 H new ATOM 1328 N THR A 85 14.914 6.887 -2.935 1.00 13.55 N ATOM 1329 CA THR A 85 14.437 6.309 -4.184 1.00 53.23 C ATOM 1330 C THR A 85 13.039 6.813 -4.525 1.00 32.00 C ATOM 1331 O THR A 85 12.409 6.334 -5.468 1.00 32.22 O ATOM 1332 CB THR A 85 14.414 4.770 -4.119 1.00 14.43 C ATOM 1333 OG1 THR A 85 15.526 4.296 -3.353 1.00 5.04 O ATOM 1334 CG2 THR A 85 14.459 4.169 -5.515 1.00 62.50 C ATOM 0 H THR A 85 14.448 6.530 -2.101 1.00 13.55 H new ATOM 0 HA THR A 85 15.133 6.622 -4.962 1.00 53.23 H new ATOM 0 HB THR A 85 13.485 4.462 -3.639 1.00 14.43 H new ATOM 0 HG1 THR A 85 15.503 3.317 -3.315 1.00 5.04 H new ATOM 0 HG21 THR A 85 14.442 3.081 -5.444 1.00 62.50 H new ATOM 0 HG22 THR A 85 13.595 4.509 -6.086 1.00 62.50 H new ATOM 0 HG23 THR A 85 15.373 4.485 -6.018 1.00 62.50 H new ATOM 1342 N ARG A 86 12.560 7.782 -3.752 1.00 53.54 N ATOM 1343 CA ARG A 86 11.235 8.351 -3.973 1.00 24.22 C ATOM 1344 C ARG A 86 11.189 9.130 -5.284 1.00 23.10 C ATOM 1345 O ARG A 86 11.942 10.085 -5.478 1.00 3.22 O ATOM 1346 CB ARG A 86 10.850 9.266 -2.809 1.00 40.54 C ATOM 1347 CG ARG A 86 9.588 10.074 -3.062 1.00 54.35 C ATOM 1348 CD ARG A 86 9.296 11.027 -1.913 1.00 61.25 C ATOM 1349 NE ARG A 86 8.740 12.294 -2.381 1.00 31.14 N ATOM 1350 CZ ARG A 86 9.478 13.288 -2.861 1.00 64.01 C ATOM 1351 NH1 ARG A 86 10.796 13.162 -2.938 1.00 1.31 N ATOM 1352 NH2 ARG A 86 8.899 14.411 -3.267 1.00 31.43 N ATOM 0 H ARG A 86 13.069 8.190 -2.968 1.00 53.54 H new ATOM 0 HA ARG A 86 10.520 7.531 -4.034 1.00 24.22 H new ATOM 0 HB2 ARG A 86 10.711 8.661 -1.913 1.00 40.54 H new ATOM 0 HB3 ARG A 86 11.675 9.950 -2.607 1.00 40.54 H new ATOM 0 HG2 ARG A 86 9.697 10.640 -3.987 1.00 54.35 H new ATOM 0 HG3 ARG A 86 8.744 9.398 -3.199 1.00 54.35 H new ATOM 0 HD2 ARG A 86 8.596 10.558 -1.221 1.00 61.25 H new ATOM 0 HD3 ARG A 86 10.214 11.217 -1.357 1.00 61.25 H new ATOM 0 HE ARG A 86 7.729 12.422 -2.337 1.00 31.14 H new ATOM 0 HH11 ARG A 86 11.245 12.300 -2.628 1.00 1.31 H new ATOM 0 HH12 ARG A 86 11.361 13.927 -3.307 1.00 1.31 H new ATOM 0 HH21 ARG A 86 7.886 14.512 -3.211 1.00 31.43 H new ATOM 0 HH22 ARG A 86 9.467 15.174 -3.635 1.00 31.43 H new ATOM 1366 N LEU A 87 10.302 8.715 -6.181 1.00 52.43 N ATOM 1367 CA LEU A 87 10.157 9.374 -7.475 1.00 65.42 C ATOM 1368 C LEU A 87 8.971 10.333 -7.469 1.00 24.30 C ATOM 1369 O LEU A 87 9.130 11.532 -7.694 1.00 21.11 O ATOM 1370 CB LEU A 87 9.981 8.333 -8.582 1.00 74.21 C ATOM 1371 CG LEU A 87 11.023 8.359 -9.701 1.00 30.55 C ATOM 1372 CD1 LEU A 87 10.640 7.391 -10.809 1.00 62.43 C ATOM 1373 CD2 LEU A 87 11.179 9.768 -10.251 1.00 45.43 C ATOM 0 H LEU A 87 9.672 7.926 -6.037 1.00 52.43 H new ATOM 0 HA LEU A 87 11.063 9.949 -7.666 1.00 65.42 H new ATOM 0 HB2 LEU A 87 9.991 7.343 -8.127 1.00 74.21 H new ATOM 0 HB3 LEU A 87 8.996 8.469 -9.027 1.00 74.21 H new ATOM 0 HG LEU A 87 11.981 8.044 -9.287 1.00 30.55 H new ATOM 0 HD11 LEU A 87 11.393 7.423 -11.597 1.00 62.43 H new ATOM 0 HD12 LEU A 87 10.580 6.380 -10.405 1.00 62.43 H new ATOM 0 HD13 LEU A 87 9.672 7.675 -11.221 1.00 62.43 H new ATOM 0 HD21 LEU A 87 11.924 9.768 -11.046 1.00 45.43 H new ATOM 0 HD22 LEU A 87 10.224 10.111 -10.649 1.00 45.43 H new ATOM 0 HD23 LEU A 87 11.501 10.437 -9.453 1.00 45.43 H new ATOM 1385 N GLU A 88 7.784 9.795 -7.208 1.00 12.41 N ATOM 1386 CA GLU A 88 6.571 10.605 -7.171 1.00 24.22 C ATOM 1387 C GLU A 88 5.828 10.411 -5.852 1.00 70.03 C ATOM 1388 O GLU A 88 6.212 9.584 -5.026 1.00 42.32 O ATOM 1389 CB GLU A 88 5.656 10.246 -8.343 1.00 33.41 C ATOM 1390 CG GLU A 88 5.137 11.455 -9.103 1.00 31.23 C ATOM 1391 CD GLU A 88 4.619 11.099 -10.483 1.00 20.54 C ATOM 1392 OE1 GLU A 88 5.115 10.111 -11.065 1.00 34.12 O ATOM 1393 OE2 GLU A 88 3.719 11.807 -10.980 1.00 61.34 O ATOM 0 H GLU A 88 7.636 8.804 -7.019 1.00 12.41 H new ATOM 0 HA GLU A 88 6.861 11.653 -7.254 1.00 24.22 H new ATOM 0 HB2 GLU A 88 6.199 9.600 -9.032 1.00 33.41 H new ATOM 0 HB3 GLU A 88 4.809 9.672 -7.969 1.00 33.41 H new ATOM 0 HG2 GLU A 88 4.338 11.924 -8.529 1.00 31.23 H new ATOM 0 HG3 GLU A 88 5.936 12.190 -9.198 1.00 31.23 H new ATOM 1400 N GLY A 89 4.761 11.181 -5.663 1.00 35.23 N ATOM 1401 CA GLY A 89 3.980 11.080 -4.443 1.00 62.33 C ATOM 1402 C GLY A 89 4.435 12.061 -3.381 1.00 72.21 C ATOM 1403 O GLY A 89 5.234 12.961 -3.638 1.00 43.14 O ATOM 0 H GLY A 89 4.423 11.873 -6.332 1.00 35.23 H new ATOM 0 HA2 GLY A 89 2.929 11.258 -4.672 1.00 62.33 H new ATOM 0 HA3 GLY A 89 4.053 10.065 -4.051 1.00 62.33 H new ATOM 1407 N PRO A 90 3.918 11.893 -2.155 1.00 32.02 N ATOM 1408 CA PRO A 90 2.965 10.826 -1.837 1.00 33.51 C ATOM 1409 C PRO A 90 1.604 11.051 -2.487 1.00 13.24 C ATOM 1410 O PRO A 90 1.349 12.108 -3.065 1.00 22.33 O ATOM 1411 CB PRO A 90 2.848 10.897 -0.312 1.00 71.23 C ATOM 1412 CG PRO A 90 3.199 12.304 0.029 1.00 32.21 C ATOM 1413 CD PRO A 90 4.224 12.733 -0.984 1.00 75.44 C ATOM 0 HA PRO A 90 3.300 9.857 -2.208 1.00 33.51 H new ATOM 0 HB2 PRO A 90 1.840 10.649 0.020 1.00 71.23 H new ATOM 0 HB3 PRO A 90 3.525 10.192 0.170 1.00 71.23 H new ATOM 0 HG2 PRO A 90 2.319 12.946 -0.010 1.00 32.21 H new ATOM 0 HG3 PRO A 90 3.598 12.372 1.041 1.00 32.21 H new ATOM 0 HD2 PRO A 90 4.139 13.794 -1.217 1.00 75.44 H new ATOM 0 HD3 PRO A 90 5.239 12.566 -0.624 1.00 75.44 H new ATOM 1421 N TRP A 91 0.733 10.053 -2.387 1.00 65.02 N ATOM 1422 CA TRP A 91 -0.602 10.144 -2.965 1.00 75.45 C ATOM 1423 C TRP A 91 -1.638 9.504 -2.047 1.00 2.32 C ATOM 1424 O TRP A 91 -1.440 8.395 -1.552 1.00 40.12 O ATOM 1425 CB TRP A 91 -0.634 9.468 -4.337 1.00 44.25 C ATOM 1426 CG TRP A 91 0.013 10.284 -5.416 1.00 13.00 C ATOM 1427 CD1 TRP A 91 -0.041 11.641 -5.560 1.00 42.05 C ATOM 1428 CD2 TRP A 91 0.808 9.794 -6.501 1.00 52.01 C ATOM 1429 NE1 TRP A 91 0.673 12.024 -6.670 1.00 41.13 N ATOM 1430 CE2 TRP A 91 1.204 10.910 -7.264 1.00 62.22 C ATOM 1431 CE3 TRP A 91 1.225 8.522 -6.901 1.00 61.14 C ATOM 1432 CZ2 TRP A 91 1.996 10.789 -8.403 1.00 53.02 C ATOM 1433 CZ3 TRP A 91 2.010 8.404 -8.032 1.00 64.33 C ATOM 1434 CH2 TRP A 91 2.390 9.532 -8.772 1.00 72.41 C ATOM 0 H TRP A 91 0.928 9.172 -1.911 1.00 65.02 H new ATOM 0 HA TRP A 91 -0.848 11.199 -3.081 1.00 75.45 H new ATOM 0 HB2 TRP A 91 -0.132 8.503 -4.271 1.00 44.25 H new ATOM 0 HB3 TRP A 91 -1.670 9.270 -4.613 1.00 44.25 H new ATOM 0 HD1 TRP A 91 -0.567 12.314 -4.899 1.00 42.05 H new ATOM 0 HE1 TRP A 91 0.789 12.983 -6.998 1.00 41.13 H new ATOM 0 HE3 TRP A 91 0.939 7.647 -6.336 1.00 61.14 H new ATOM 0 HZ2 TRP A 91 2.289 11.657 -8.975 1.00 53.02 H new ATOM 0 HZ3 TRP A 91 2.336 7.425 -8.351 1.00 64.33 H new ATOM 0 HH2 TRP A 91 3.006 9.406 -9.650 1.00 72.41 H new ATOM 1445 N GLU A 92 -2.741 10.211 -1.823 1.00 74.14 N ATOM 1446 CA GLU A 92 -3.807 9.711 -0.963 1.00 30.50 C ATOM 1447 C GLU A 92 -5.109 9.557 -1.743 1.00 74.33 C ATOM 1448 O GLU A 92 -5.458 10.406 -2.564 1.00 31.12 O ATOM 1449 CB GLU A 92 -4.019 10.652 0.224 1.00 11.41 C ATOM 1450 CG GLU A 92 -2.985 10.486 1.325 1.00 11.50 C ATOM 1451 CD GLU A 92 -2.925 11.683 2.254 1.00 12.23 C ATOM 1452 OE1 GLU A 92 -3.510 12.732 1.911 1.00 62.31 O ATOM 1453 OE2 GLU A 92 -2.293 11.570 3.326 1.00 54.42 O ATOM 0 H GLU A 92 -2.920 11.131 -2.225 1.00 74.14 H new ATOM 0 HA GLU A 92 -3.509 8.731 -0.591 1.00 30.50 H new ATOM 0 HB2 GLU A 92 -3.997 11.682 -0.131 1.00 11.41 H new ATOM 0 HB3 GLU A 92 -5.012 10.480 0.640 1.00 11.41 H new ATOM 0 HG2 GLU A 92 -3.217 9.592 1.904 1.00 11.50 H new ATOM 0 HG3 GLU A 92 -2.004 10.329 0.876 1.00 11.50 H new ATOM 1460 N TYR A 93 -5.824 8.468 -1.482 1.00 25.33 N ATOM 1461 CA TYR A 93 -7.086 8.200 -2.161 1.00 3.11 C ATOM 1462 C TYR A 93 -8.103 7.593 -1.200 1.00 54.00 C ATOM 1463 O TYR A 93 -7.746 7.093 -0.134 1.00 75.43 O ATOM 1464 CB TYR A 93 -6.862 7.259 -3.346 1.00 21.12 C ATOM 1465 CG TYR A 93 -6.106 7.895 -4.490 1.00 44.30 C ATOM 1466 CD1 TYR A 93 -6.771 8.628 -5.466 1.00 24.13 C ATOM 1467 CD2 TYR A 93 -4.727 7.763 -4.596 1.00 43.23 C ATOM 1468 CE1 TYR A 93 -6.084 9.211 -6.513 1.00 71.44 C ATOM 1469 CE2 TYR A 93 -4.032 8.344 -5.640 1.00 21.43 C ATOM 1470 CZ TYR A 93 -4.715 9.066 -6.596 1.00 1.03 C ATOM 1471 OH TYR A 93 -4.027 9.645 -7.637 1.00 65.54 O ATOM 0 H TYR A 93 -5.551 7.756 -0.804 1.00 25.33 H new ATOM 0 HA TYR A 93 -7.480 9.148 -2.528 1.00 3.11 H new ATOM 0 HB2 TYR A 93 -6.314 6.381 -3.003 1.00 21.12 H new ATOM 0 HB3 TYR A 93 -7.828 6.910 -3.710 1.00 21.12 H new ATOM 0 HD1 TYR A 93 -7.843 8.744 -5.405 1.00 24.13 H new ATOM 0 HD2 TYR A 93 -4.189 7.197 -3.850 1.00 43.23 H new ATOM 0 HE1 TYR A 93 -6.616 9.778 -7.263 1.00 71.44 H new ATOM 0 HE2 TYR A 93 -2.960 8.233 -5.707 1.00 21.43 H new ATOM 0 HH TYR A 93 -3.071 9.449 -7.547 1.00 65.54 H new ATOM 1481 N GLY A 94 -9.375 7.641 -1.587 1.00 23.03 N ATOM 1482 CA GLY A 94 -10.426 7.092 -0.750 1.00 2.42 C ATOM 1483 C GLY A 94 -10.958 8.101 0.249 1.00 40.25 C ATOM 1484 O GLY A 94 -10.956 9.303 -0.014 1.00 10.30 O ATOM 0 H GLY A 94 -9.696 8.050 -2.465 1.00 23.03 H new ATOM 0 HA2 GLY A 94 -11.244 6.744 -1.381 1.00 2.42 H new ATOM 0 HA3 GLY A 94 -10.044 6.223 -0.215 1.00 2.42 H new ATOM 1488 N GLU A 95 -11.416 7.611 1.396 1.00 34.20 N ATOM 1489 CA GLU A 95 -11.956 8.479 2.436 1.00 55.15 C ATOM 1490 C GLU A 95 -10.929 9.525 2.859 1.00 51.12 C ATOM 1491 O GLU A 95 -11.209 10.723 2.849 1.00 42.33 O ATOM 1492 CB GLU A 95 -12.388 7.652 3.648 1.00 10.25 C ATOM 1493 CG GLU A 95 -12.756 8.494 4.859 1.00 72.41 C ATOM 1494 CD GLU A 95 -13.964 7.953 5.600 1.00 40.14 C ATOM 1495 OE1 GLU A 95 -13.905 6.797 6.068 1.00 51.11 O ATOM 1496 OE2 GLU A 95 -14.968 8.687 5.711 1.00 53.12 O ATOM 0 H GLU A 95 -11.424 6.618 1.629 1.00 34.20 H new ATOM 0 HA GLU A 95 -12.826 8.994 2.028 1.00 55.15 H new ATOM 0 HB2 GLU A 95 -13.243 7.036 3.371 1.00 10.25 H new ATOM 0 HB3 GLU A 95 -11.580 6.972 3.920 1.00 10.25 H new ATOM 0 HG2 GLU A 95 -11.906 8.536 5.540 1.00 72.41 H new ATOM 0 HG3 GLU A 95 -12.959 9.516 4.538 1.00 72.41 H new TER 1503 GLU A 95