USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1135 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 37 LYS NZ :NH3+ 180:sc= -0.164 (180deg=0) USER MOD Set 1.2: A 94 GLN : amide:sc= -2.19 K(o=-2.4,f=-4.3) USER MOD Set 2.1: A 31 MET CE :methyl -121:sc= -5.36 (180deg=-17.2!) USER MOD Set 2.2: A 107 CYS SG : rot -42:sc= -1.51 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= -0.992 USER MOD Set 3.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.204 (180deg=0.19) USER MOD Single : A 2 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.8) USER MOD Single : A 9 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc=-0.00399 (180deg=-0.137) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 32 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -150:sc= -7.48! (180deg=-10.9!) USER MOD Single : A 43 MET CE :methyl 138:sc= -0.273 (180deg=-1.33) USER MOD Single : A 44 LYS NZ :NH3+ 135:sc= -0.506 (180deg=-1.11) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 3.04 (180deg=1.99) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 53 ASN : amide:sc=-0.00363 K(o=-0.0036,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.92) USER MOD Single : A 72 MET CE :methyl 166:sc= -1.87! (180deg=-2.37) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 151:sc= 0.752 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 92 MET CE :methyl -141:sc= -1.44 (180deg=-5.15!) USER MOD Single : A 100 SER OG : rot 100:sc= 0.145 USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0189) USER MOD Single : A 110 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.031) USER MOD Single : A 119 CYS SG : rot -110:sc= -0.539 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 125 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 126 TYR OH : rot -71:sc= -0.492 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.239 -0.401 -3.655 1.00 33.41 N ATOM 2 CA MET A 1 0.148 0.973 -3.951 1.00 50.01 C ATOM 3 C MET A 1 1.608 1.045 -4.386 1.00 62.43 C ATOM 4 O MET A 1 1.938 1.689 -5.381 1.00 10.11 O ATOM 5 CB MET A 1 -0.076 1.864 -2.727 1.00 61.44 C ATOM 6 CG MET A 1 -1.477 2.449 -2.650 1.00 24.12 C ATOM 7 SD MET A 1 -2.698 1.253 -2.078 1.00 35.34 S ATOM 8 CE MET A 1 -4.203 2.215 -2.212 1.00 11.25 C ATOM 0 H1 MET A 1 -1.226 -0.421 -3.329 1.00 33.41 H new ATOM 0 H2 MET A 1 -0.146 -0.980 -4.514 1.00 33.41 H new ATOM 0 H3 MET A 1 0.379 -0.783 -2.911 1.00 33.41 H new ATOM 0 HA MET A 1 -0.475 1.331 -4.771 1.00 50.01 H new ATOM 0 HB2 MET A 1 0.117 1.283 -1.825 1.00 61.44 H new ATOM 0 HB3 MET A 1 0.649 2.678 -2.743 1.00 61.44 H new ATOM 0 HG2 MET A 1 -1.472 3.307 -1.978 1.00 24.12 H new ATOM 0 HG3 MET A 1 -1.768 2.817 -3.634 1.00 24.12 H new ATOM 0 HE1 MET A 1 -5.051 1.610 -1.892 1.00 11.25 H new ATOM 0 HE2 MET A 1 -4.128 3.098 -1.578 1.00 11.25 H new ATOM 0 HE3 MET A 1 -4.347 2.523 -3.248 1.00 11.25 H new ATOM 18 N ASN A 2 2.479 0.379 -3.634 1.00 74.22 N ATOM 19 CA ASN A 2 3.904 0.368 -3.942 1.00 50.25 C ATOM 20 C ASN A 2 4.538 -0.959 -3.538 1.00 62.20 C ATOM 21 O ASN A 2 4.285 -1.473 -2.449 1.00 32.55 O ATOM 22 CB ASN A 2 4.610 1.522 -3.228 1.00 41.31 C ATOM 23 CG ASN A 2 4.560 2.812 -4.024 1.00 11.20 C ATOM 24 OD1 ASN A 2 3.506 3.436 -4.150 1.00 3.43 O ATOM 25 ND2 ASN A 2 5.702 3.217 -4.566 1.00 43.43 N ATOM 0 H ASN A 2 2.222 -0.160 -2.807 1.00 74.22 H new ATOM 0 HA ASN A 2 4.018 0.491 -5.019 1.00 50.25 H new ATOM 0 HB2 ASN A 2 4.147 1.681 -2.254 1.00 41.31 H new ATOM 0 HB3 ASN A 2 5.650 1.251 -3.046 1.00 41.31 H new ATOM 0 HD21 ASN A 2 5.730 4.077 -5.113 1.00 43.43 H new ATOM 0 HD22 ASN A 2 6.552 2.668 -4.435 1.00 43.43 H new ATOM 32 N ASP A 3 5.364 -1.508 -4.422 1.00 53.24 N ATOM 33 CA ASP A 3 6.036 -2.774 -4.158 1.00 20.45 C ATOM 34 C ASP A 3 6.815 -2.713 -2.847 1.00 41.54 C ATOM 35 O ASP A 3 7.358 -1.668 -2.486 1.00 25.30 O ATOM 36 CB ASP A 3 6.978 -3.127 -5.310 1.00 4.25 C ATOM 37 CG ASP A 3 8.304 -2.396 -5.217 1.00 73.45 C ATOM 38 OD1 ASP A 3 8.289 -1.162 -5.028 1.00 34.43 O ATOM 39 OD2 ASP A 3 9.356 -3.059 -5.336 1.00 41.30 O ATOM 0 H ASP A 3 5.584 -1.095 -5.328 1.00 53.24 H new ATOM 0 HA ASP A 3 5.275 -3.549 -4.072 1.00 20.45 H new ATOM 0 HB2 ASP A 3 7.158 -4.202 -5.312 1.00 4.25 H new ATOM 0 HB3 ASP A 3 6.497 -2.883 -6.257 1.00 4.25 H new ATOM 44 N ILE A 4 6.864 -3.837 -2.141 1.00 1.55 N ATOM 45 CA ILE A 4 7.576 -3.909 -0.871 1.00 25.40 C ATOM 46 C ILE A 4 8.701 -4.938 -0.930 1.00 10.32 C ATOM 47 O ILE A 4 8.665 -5.867 -1.737 1.00 12.41 O ATOM 48 CB ILE A 4 6.627 -4.269 0.287 1.00 23.13 C ATOM 49 CG1 ILE A 4 5.519 -5.202 -0.204 1.00 33.31 C ATOM 50 CG2 ILE A 4 6.034 -3.008 0.897 1.00 51.21 C ATOM 51 CD1 ILE A 4 6.034 -6.507 -0.769 1.00 32.52 C ATOM 0 H ILE A 4 6.420 -4.710 -2.426 1.00 1.55 H new ATOM 0 HA ILE A 4 7.999 -2.921 -0.689 1.00 25.40 H new ATOM 0 HB ILE A 4 7.198 -4.788 1.057 1.00 23.13 H new ATOM 0 HG12 ILE A 4 4.842 -5.416 0.623 1.00 33.31 H new ATOM 0 HG13 ILE A 4 4.936 -4.689 -0.969 1.00 33.31 H new ATOM 0 HG21 ILE A 4 5.365 -3.279 1.714 1.00 51.21 H new ATOM 0 HG22 ILE A 4 6.836 -2.376 1.279 1.00 51.21 H new ATOM 0 HG23 ILE A 4 5.475 -2.464 0.136 1.00 51.21 H new ATOM 0 HD11 ILE A 4 5.193 -7.118 -1.097 1.00 32.52 H new ATOM 0 HD12 ILE A 4 6.688 -6.303 -1.617 1.00 32.52 H new ATOM 0 HD13 ILE A 4 6.592 -7.041 -0.000 1.00 32.52 H new ATOM 63 N ARG A 5 9.698 -4.766 -0.068 1.00 41.01 N ATOM 64 CA ARG A 5 10.833 -5.680 -0.021 1.00 44.54 C ATOM 65 C ARG A 5 10.374 -7.103 0.279 1.00 34.12 C ATOM 66 O ARG A 5 9.416 -7.312 1.025 1.00 24.11 O ATOM 67 CB ARG A 5 11.839 -5.223 1.037 1.00 44.13 C ATOM 68 CG ARG A 5 12.771 -4.122 0.556 1.00 23.53 C ATOM 69 CD ARG A 5 12.013 -2.835 0.273 1.00 44.03 C ATOM 70 NE ARG A 5 11.273 -2.367 1.441 1.00 32.12 N ATOM 71 CZ ARG A 5 11.851 -1.846 2.517 1.00 0.44 C ATOM 72 NH1 ARG A 5 13.170 -1.726 2.573 1.00 43.43 N ATOM 73 NH2 ARG A 5 11.109 -1.442 3.541 1.00 62.30 N ATOM 0 H ARG A 5 9.743 -4.003 0.607 1.00 41.01 H new ATOM 0 HA ARG A 5 11.315 -5.671 -0.999 1.00 44.54 H new ATOM 0 HB2 ARG A 5 11.296 -4.871 1.914 1.00 44.13 H new ATOM 0 HB3 ARG A 5 12.435 -6.079 1.354 1.00 44.13 H new ATOM 0 HG2 ARG A 5 13.536 -3.937 1.310 1.00 23.53 H new ATOM 0 HG3 ARG A 5 13.286 -4.449 -0.348 1.00 23.53 H new ATOM 0 HD2 ARG A 5 12.715 -2.064 -0.044 1.00 44.03 H new ATOM 0 HD3 ARG A 5 11.321 -2.996 -0.554 1.00 44.03 H new ATOM 0 HE ARG A 5 10.256 -2.444 1.430 1.00 32.12 H new ATOM 0 HH11 ARG A 5 13.744 -2.034 1.788 1.00 43.43 H new ATOM 0 HH12 ARG A 5 13.611 -1.325 3.401 1.00 43.43 H new ATOM 0 HH21 ARG A 5 10.094 -1.532 3.502 1.00 62.30 H new ATOM 0 HH22 ARG A 5 11.554 -1.042 4.367 1.00 62.30 H new ATOM 87 N ILE A 6 11.061 -8.077 -0.306 1.00 65.54 N ATOM 88 CA ILE A 6 10.724 -9.480 -0.101 1.00 30.44 C ATOM 89 C ILE A 6 11.529 -10.077 1.049 1.00 12.53 C ATOM 90 O ILE A 6 11.025 -10.901 1.812 1.00 10.13 O ATOM 91 CB ILE A 6 10.974 -10.312 -1.373 1.00 31.04 C ATOM 92 CG1 ILE A 6 10.446 -9.572 -2.604 1.00 24.33 C ATOM 93 CG2 ILE A 6 10.319 -11.680 -1.249 1.00 12.54 C ATOM 94 CD1 ILE A 6 11.462 -8.643 -3.231 1.00 54.03 C ATOM 0 H ILE A 6 11.855 -7.921 -0.926 1.00 65.54 H new ATOM 0 HA ILE A 6 9.662 -9.516 0.144 1.00 30.44 H new ATOM 0 HB ILE A 6 12.048 -10.455 -1.491 1.00 31.04 H new ATOM 0 HG12 ILE A 6 10.126 -10.302 -3.347 1.00 24.33 H new ATOM 0 HG13 ILE A 6 9.564 -8.996 -2.322 1.00 24.33 H new ATOM 0 HG21 ILE A 6 10.505 -12.256 -2.156 1.00 12.54 H new ATOM 0 HG22 ILE A 6 10.738 -12.208 -0.392 1.00 12.54 H new ATOM 0 HG23 ILE A 6 9.245 -11.558 -1.110 1.00 12.54 H new ATOM 0 HD11 ILE A 6 11.020 -8.152 -4.098 1.00 54.03 H new ATOM 0 HD12 ILE A 6 11.765 -7.890 -2.503 1.00 54.03 H new ATOM 0 HD13 ILE A 6 12.334 -9.216 -3.544 1.00 54.03 H new ATOM 106 N VAL A 7 12.783 -9.653 1.169 1.00 40.42 N ATOM 107 CA VAL A 7 13.658 -10.142 2.228 1.00 52.14 C ATOM 108 C VAL A 7 14.746 -9.126 2.554 1.00 5.14 C ATOM 109 O VAL A 7 15.761 -9.022 1.864 1.00 14.20 O ATOM 110 CB VAL A 7 14.318 -11.478 1.838 1.00 50.23 C ATOM 111 CG1 VAL A 7 13.317 -12.618 1.941 1.00 30.41 C ATOM 112 CG2 VAL A 7 14.901 -11.394 0.435 1.00 74.30 C ATOM 0 H VAL A 7 13.216 -8.972 0.546 1.00 40.42 H new ATOM 0 HA VAL A 7 13.034 -10.297 3.108 1.00 52.14 H new ATOM 0 HB VAL A 7 15.133 -11.678 2.534 1.00 50.23 H new ATOM 0 HG11 VAL A 7 13.801 -13.554 1.662 1.00 30.41 H new ATOM 0 HG12 VAL A 7 12.952 -12.690 2.965 1.00 30.41 H new ATOM 0 HG13 VAL A 7 12.479 -12.428 1.270 1.00 30.41 H new ATOM 0 HG21 VAL A 7 15.363 -12.346 0.176 1.00 74.30 H new ATOM 0 HG22 VAL A 7 14.106 -11.171 -0.277 1.00 74.30 H new ATOM 0 HG23 VAL A 7 15.652 -10.605 0.400 1.00 74.30 H new ATOM 122 N PRO A 8 14.534 -8.358 3.633 1.00 2.51 N ATOM 123 CA PRO A 8 15.487 -7.336 4.077 1.00 21.03 C ATOM 124 C PRO A 8 16.767 -7.943 4.641 1.00 63.44 C ATOM 125 O PRO A 8 16.873 -9.160 4.790 1.00 25.30 O ATOM 126 CB PRO A 8 14.722 -6.590 5.173 1.00 10.12 C ATOM 127 CG PRO A 8 13.731 -7.578 5.683 1.00 75.10 C ATOM 128 CD PRO A 8 13.348 -8.427 4.502 1.00 33.25 C ATOM 0 HA PRO A 8 15.813 -6.698 3.255 1.00 21.03 H new ATOM 0 HB2 PRO A 8 15.391 -6.256 5.966 1.00 10.12 H new ATOM 0 HB3 PRO A 8 14.228 -5.702 4.777 1.00 10.12 H new ATOM 0 HG2 PRO A 8 14.161 -8.187 6.478 1.00 75.10 H new ATOM 0 HG3 PRO A 8 12.859 -7.076 6.102 1.00 75.10 H new ATOM 0 HD2 PRO A 8 13.127 -9.452 4.799 1.00 33.25 H new ATOM 0 HD3 PRO A 8 12.460 -8.041 4.001 1.00 33.25 H new ATOM 136 N GLN A 9 17.736 -7.088 4.951 1.00 12.24 N ATOM 137 CA GLN A 9 19.009 -7.542 5.498 1.00 0.22 C ATOM 138 C GLN A 9 18.791 -8.458 6.698 1.00 14.51 C ATOM 139 O GLN A 9 17.751 -8.398 7.356 1.00 42.44 O ATOM 140 CB GLN A 9 19.869 -6.344 5.905 1.00 23.34 C ATOM 141 CG GLN A 9 20.221 -5.426 4.746 1.00 1.23 C ATOM 142 CD GLN A 9 20.875 -4.136 5.202 1.00 53.15 C ATOM 143 OE1 GLN A 9 20.844 -3.795 6.384 1.00 2.33 O ATOM 144 NE2 GLN A 9 21.471 -3.411 4.263 1.00 40.44 N ATOM 0 H GLN A 9 17.664 -6.077 4.833 1.00 12.24 H new ATOM 0 HA GLN A 9 19.528 -8.107 4.723 1.00 0.22 H new ATOM 0 HB2 GLN A 9 19.340 -5.769 6.665 1.00 23.34 H new ATOM 0 HB3 GLN A 9 20.789 -6.707 6.363 1.00 23.34 H new ATOM 0 HG2 GLN A 9 20.892 -5.948 4.065 1.00 1.23 H new ATOM 0 HG3 GLN A 9 19.316 -5.192 4.185 1.00 1.23 H new ATOM 0 HE21 GLN A 9 21.472 -3.732 3.295 1.00 40.44 H new ATOM 0 HE22 GLN A 9 21.928 -2.533 4.510 1.00 40.44 H new ATOM 153 N ILE A 10 19.776 -9.304 6.977 1.00 1.01 N ATOM 154 CA ILE A 10 19.691 -10.231 8.098 1.00 22.54 C ATOM 155 C ILE A 10 20.808 -9.979 9.106 1.00 35.21 C ATOM 156 O ILE A 10 21.982 -10.213 8.820 1.00 5.42 O ATOM 157 CB ILE A 10 19.763 -11.695 7.625 1.00 65.21 C ATOM 158 CG1 ILE A 10 20.820 -11.848 6.529 1.00 51.14 C ATOM 159 CG2 ILE A 10 18.403 -12.158 7.125 1.00 21.02 C ATOM 160 CD1 ILE A 10 21.595 -13.144 6.613 1.00 3.10 C ATOM 0 H ILE A 10 20.642 -9.367 6.442 1.00 1.01 H new ATOM 0 HA ILE A 10 18.727 -10.059 8.577 1.00 22.54 H new ATOM 0 HB ILE A 10 20.050 -12.321 8.470 1.00 65.21 H new ATOM 0 HG12 ILE A 10 20.333 -11.788 5.555 1.00 51.14 H new ATOM 0 HG13 ILE A 10 21.517 -11.013 6.589 1.00 51.14 H new ATOM 0 HG21 ILE A 10 18.470 -13.194 6.794 1.00 21.02 H new ATOM 0 HG22 ILE A 10 17.673 -12.081 7.931 1.00 21.02 H new ATOM 0 HG23 ILE A 10 18.089 -11.531 6.291 1.00 21.02 H new ATOM 0 HD11 ILE A 10 22.326 -13.184 5.805 1.00 3.10 H new ATOM 0 HD12 ILE A 10 22.110 -13.198 7.572 1.00 3.10 H new ATOM 0 HD13 ILE A 10 20.908 -13.985 6.522 1.00 3.10 H new ATOM 172 N THR A 11 20.433 -9.502 10.289 1.00 32.22 N ATOM 173 CA THR A 11 21.401 -9.219 11.341 1.00 44.34 C ATOM 174 C THR A 11 21.891 -10.504 11.998 1.00 42.10 C ATOM 175 O THR A 11 21.592 -11.604 11.533 1.00 52.45 O ATOM 176 CB THR A 11 20.804 -8.298 12.421 1.00 20.04 C ATOM 177 OG1 THR A 11 19.599 -7.694 11.939 1.00 34.30 O ATOM 178 CG2 THR A 11 21.796 -7.215 12.818 1.00 30.14 C ATOM 0 H THR A 11 19.465 -9.304 10.542 1.00 32.22 H new ATOM 0 HA THR A 11 22.243 -8.713 10.868 1.00 44.34 H new ATOM 0 HB THR A 11 20.580 -8.903 13.299 1.00 20.04 H new ATOM 0 HG1 THR A 11 19.225 -7.111 12.633 1.00 34.30 H new ATOM 0 HG21 THR A 11 21.352 -6.577 13.582 1.00 30.14 H new ATOM 0 HG22 THR A 11 22.701 -7.677 13.213 1.00 30.14 H new ATOM 0 HG23 THR A 11 22.047 -6.614 11.944 1.00 30.14 H new ATOM 186 N ASP A 12 22.645 -10.358 13.082 1.00 32.22 N ATOM 187 CA ASP A 12 23.175 -11.508 13.805 1.00 32.42 C ATOM 188 C ASP A 12 22.045 -12.403 14.306 1.00 23.10 C ATOM 189 O ASP A 12 22.246 -13.592 14.552 1.00 74.15 O ATOM 190 CB ASP A 12 24.036 -11.046 14.982 1.00 54.22 C ATOM 191 CG ASP A 12 23.386 -11.330 16.322 1.00 73.34 C ATOM 192 OD1 ASP A 12 22.618 -10.471 16.804 1.00 45.42 O ATOM 193 OD2 ASP A 12 23.644 -12.413 16.888 1.00 54.13 O ATOM 0 H ASP A 12 22.903 -9.455 13.479 1.00 32.22 H new ATOM 0 HA ASP A 12 23.794 -12.084 13.117 1.00 32.42 H new ATOM 0 HB2 ASP A 12 25.004 -11.545 14.938 1.00 54.22 H new ATOM 0 HB3 ASP A 12 24.225 -9.976 14.892 1.00 54.22 H new ATOM 198 N GLU A 13 20.859 -11.822 14.456 1.00 70.11 N ATOM 199 CA GLU A 13 19.699 -12.567 14.930 1.00 74.35 C ATOM 200 C GLU A 13 19.478 -13.822 14.090 1.00 71.14 C ATOM 201 O GLU A 13 18.976 -14.831 14.584 1.00 73.04 O ATOM 202 CB GLU A 13 18.448 -11.687 14.889 1.00 11.20 C ATOM 203 CG GLU A 13 18.627 -10.343 15.576 1.00 33.52 C ATOM 204 CD GLU A 13 17.327 -9.572 15.696 1.00 12.11 C ATOM 205 OE1 GLU A 13 16.309 -10.036 15.141 1.00 33.34 O ATOM 206 OE2 GLU A 13 17.327 -8.504 16.344 1.00 64.41 O ATOM 0 H GLU A 13 20.676 -10.839 14.256 1.00 70.11 H new ATOM 0 HA GLU A 13 19.889 -12.868 15.960 1.00 74.35 H new ATOM 0 HB2 GLU A 13 18.166 -11.520 13.850 1.00 11.20 H new ATOM 0 HB3 GLU A 13 17.623 -12.220 15.362 1.00 11.20 H new ATOM 0 HG2 GLU A 13 19.045 -10.500 16.570 1.00 33.52 H new ATOM 0 HG3 GLU A 13 19.349 -9.747 15.017 1.00 33.52 H new ATOM 213 N GLU A 14 19.857 -13.750 12.817 1.00 11.14 N ATOM 214 CA GLU A 14 19.699 -14.879 11.909 1.00 60.33 C ATOM 215 C GLU A 14 21.028 -15.600 11.701 1.00 72.21 C ATOM 216 O GLU A 14 21.084 -16.830 11.685 1.00 31.01 O ATOM 217 CB GLU A 14 19.147 -14.406 10.562 1.00 10.04 C ATOM 218 CG GLU A 14 17.868 -13.595 10.680 1.00 14.25 C ATOM 219 CD GLU A 14 16.867 -14.218 11.634 1.00 23.52 C ATOM 220 OE1 GLU A 14 16.116 -15.117 11.202 1.00 34.14 O ATOM 221 OE2 GLU A 14 16.837 -13.807 12.813 1.00 32.42 O ATOM 0 H GLU A 14 20.275 -12.922 12.392 1.00 11.14 H new ATOM 0 HA GLU A 14 18.993 -15.577 12.358 1.00 60.33 H new ATOM 0 HB2 GLU A 14 19.904 -13.804 10.060 1.00 10.04 H new ATOM 0 HB3 GLU A 14 18.960 -15.274 9.930 1.00 10.04 H new ATOM 0 HG2 GLU A 14 18.111 -12.588 11.021 1.00 14.25 H new ATOM 0 HG3 GLU A 14 17.412 -13.497 9.695 1.00 14.25 H new ATOM 228 N PHE A 15 22.096 -14.826 11.541 1.00 12.41 N ATOM 229 CA PHE A 15 23.425 -15.389 11.332 1.00 35.04 C ATOM 230 C PHE A 15 23.856 -16.225 12.534 1.00 75.22 C ATOM 231 O PHE A 15 24.700 -17.113 12.416 1.00 31.52 O ATOM 232 CB PHE A 15 24.441 -14.273 11.082 1.00 22.32 C ATOM 233 CG PHE A 15 25.867 -14.743 11.116 1.00 24.14 C ATOM 234 CD1 PHE A 15 26.538 -14.875 12.321 1.00 24.44 C ATOM 235 CD2 PHE A 15 26.537 -15.052 9.943 1.00 22.05 C ATOM 236 CE1 PHE A 15 27.851 -15.308 12.357 1.00 52.15 C ATOM 237 CE2 PHE A 15 27.849 -15.485 9.972 1.00 23.34 C ATOM 238 CZ PHE A 15 28.507 -15.612 11.180 1.00 23.22 C ATOM 0 H PHE A 15 22.067 -13.806 11.552 1.00 12.41 H new ATOM 0 HA PHE A 15 23.385 -16.037 10.456 1.00 35.04 H new ATOM 0 HB2 PHE A 15 24.239 -13.819 10.112 1.00 22.32 H new ATOM 0 HB3 PHE A 15 24.305 -13.494 11.832 1.00 22.32 H new ATOM 0 HD1 PHE A 15 26.029 -14.637 13.244 1.00 24.44 H new ATOM 0 HD2 PHE A 15 26.028 -14.953 8.996 1.00 22.05 H new ATOM 0 HE1 PHE A 15 28.362 -15.408 13.303 1.00 52.15 H new ATOM 0 HE2 PHE A 15 28.360 -15.724 9.051 1.00 23.34 H new ATOM 0 HZ PHE A 15 29.533 -15.949 11.204 1.00 23.22 H new ATOM 248 N LYS A 16 23.270 -15.934 13.690 1.00 33.03 N ATOM 249 CA LYS A 16 23.591 -16.658 14.915 1.00 53.23 C ATOM 250 C LYS A 16 22.998 -18.063 14.887 1.00 24.13 C ATOM 251 O LYS A 16 23.529 -18.984 15.509 1.00 35.35 O ATOM 252 CB LYS A 16 23.067 -15.896 16.134 1.00 10.22 C ATOM 253 CG LYS A 16 21.553 -15.916 16.260 1.00 44.21 C ATOM 254 CD LYS A 16 21.102 -15.458 17.637 1.00 41.03 C ATOM 255 CE LYS A 16 19.642 -15.803 17.888 1.00 23.31 C ATOM 256 NZ LYS A 16 19.446 -17.265 18.093 1.00 75.22 N ATOM 0 H LYS A 16 22.570 -15.201 13.805 1.00 33.03 H new ATOM 0 HA LYS A 16 24.676 -16.741 14.985 1.00 53.23 H new ATOM 0 HB2 LYS A 16 23.504 -16.325 17.036 1.00 10.22 H new ATOM 0 HB3 LYS A 16 23.405 -14.861 16.078 1.00 10.22 H new ATOM 0 HG2 LYS A 16 21.115 -15.270 15.499 1.00 44.21 H new ATOM 0 HG3 LYS A 16 21.185 -16.925 16.072 1.00 44.21 H new ATOM 0 HD2 LYS A 16 21.724 -15.927 18.399 1.00 41.03 H new ATOM 0 HD3 LYS A 16 21.243 -14.381 17.728 1.00 41.03 H new ATOM 0 HE2 LYS A 16 19.286 -15.262 18.765 1.00 23.31 H new ATOM 0 HE3 LYS A 16 19.040 -15.471 17.043 1.00 23.31 H new ATOM 0 HZ1 LYS A 16 18.500 -17.436 18.491 1.00 75.22 H new ATOM 0 HZ2 LYS A 16 19.533 -17.758 17.181 1.00 75.22 H new ATOM 0 HZ3 LYS A 16 20.168 -17.623 18.750 1.00 75.22 H new ATOM 270 N THR A 17 21.896 -18.222 14.161 1.00 63.02 N ATOM 271 CA THR A 17 21.232 -19.515 14.052 1.00 45.10 C ATOM 272 C THR A 17 21.966 -20.429 13.078 1.00 71.35 C ATOM 273 O THR A 17 21.592 -21.589 12.898 1.00 13.34 O ATOM 274 CB THR A 17 19.771 -19.359 13.591 1.00 40.10 C ATOM 275 OG1 THR A 17 18.975 -20.428 14.114 1.00 25.42 O ATOM 276 CG2 THR A 17 19.681 -19.349 12.072 1.00 12.14 C ATOM 0 H THR A 17 21.444 -17.471 13.639 1.00 63.02 H new ATOM 0 HA THR A 17 21.245 -19.962 15.046 1.00 45.10 H new ATOM 0 HB THR A 17 19.394 -18.408 13.968 1.00 40.10 H new ATOM 0 HG1 THR A 17 18.047 -20.320 13.817 1.00 25.42 H new ATOM 0 HG21 THR A 17 18.640 -19.238 11.770 1.00 12.14 H new ATOM 0 HG22 THR A 17 20.264 -18.516 11.678 1.00 12.14 H new ATOM 0 HG23 THR A 17 20.075 -20.286 11.678 1.00 12.14 H new ATOM 284 N ILE A 18 23.012 -19.901 12.451 1.00 72.11 N ATOM 285 CA ILE A 18 23.799 -20.672 11.496 1.00 55.41 C ATOM 286 C ILE A 18 25.282 -20.631 11.846 1.00 1.31 C ATOM 287 O ILE A 18 26.032 -19.774 11.379 1.00 43.51 O ATOM 288 CB ILE A 18 23.607 -20.151 10.059 1.00 2.01 C ATOM 289 CG1 ILE A 18 23.193 -18.678 10.078 1.00 74.30 C ATOM 290 CG2 ILE A 18 22.571 -20.989 9.326 1.00 71.34 C ATOM 291 CD1 ILE A 18 22.931 -18.106 8.702 1.00 22.51 C ATOM 0 H ILE A 18 23.334 -18.943 12.587 1.00 72.11 H new ATOM 0 HA ILE A 18 23.444 -21.701 11.551 1.00 55.41 H new ATOM 0 HB ILE A 18 24.555 -20.235 9.528 1.00 2.01 H new ATOM 0 HG12 ILE A 18 22.294 -18.569 10.685 1.00 74.30 H new ATOM 0 HG13 ILE A 18 23.977 -18.095 10.562 1.00 74.30 H new ATOM 0 HG21 ILE A 18 22.446 -20.609 8.312 1.00 71.34 H new ATOM 0 HG22 ILE A 18 22.904 -22.026 9.286 1.00 71.34 H new ATOM 0 HG23 ILE A 18 21.619 -20.934 9.854 1.00 71.34 H new ATOM 0 HD11 ILE A 18 22.642 -17.059 8.792 1.00 22.51 H new ATOM 0 HD12 ILE A 18 23.835 -18.182 8.098 1.00 22.51 H new ATOM 0 HD13 ILE A 18 22.127 -18.664 8.223 1.00 22.51 H new ATOM 303 N PRO A 19 25.718 -21.580 12.687 1.00 31.41 N ATOM 304 CA PRO A 19 27.116 -21.676 13.117 1.00 61.20 C ATOM 305 C PRO A 19 28.041 -22.115 11.987 1.00 43.51 C ATOM 306 O PRO A 19 27.612 -22.271 10.844 1.00 75.12 O ATOM 307 CB PRO A 19 27.077 -22.739 14.218 1.00 14.53 C ATOM 308 CG PRO A 19 25.882 -23.569 13.900 1.00 33.54 C ATOM 309 CD PRO A 19 24.879 -22.634 13.283 1.00 63.23 C ATOM 0 HA PRO A 19 27.507 -20.714 13.448 1.00 61.20 H new ATOM 0 HB2 PRO A 19 27.987 -23.339 14.221 1.00 14.53 H new ATOM 0 HB3 PRO A 19 26.992 -22.284 15.205 1.00 14.53 H new ATOM 0 HG2 PRO A 19 26.139 -24.375 13.212 1.00 33.54 H new ATOM 0 HG3 PRO A 19 25.480 -24.034 14.800 1.00 33.54 H new ATOM 0 HD2 PRO A 19 24.270 -23.136 12.531 1.00 63.23 H new ATOM 0 HD3 PRO A 19 24.195 -22.229 14.029 1.00 63.23 H new ATOM 317 N LYS A 20 29.314 -22.312 12.313 1.00 0.14 N ATOM 318 CA LYS A 20 30.301 -22.734 11.327 1.00 71.23 C ATOM 319 C LYS A 20 29.858 -24.016 10.628 1.00 53.41 C ATOM 320 O LYS A 20 30.287 -24.305 9.511 1.00 71.12 O ATOM 321 CB LYS A 20 31.661 -22.949 11.995 1.00 72.30 C ATOM 322 CG LYS A 20 31.635 -23.983 13.107 1.00 22.42 C ATOM 323 CD LYS A 20 32.648 -23.660 14.193 1.00 54.30 C ATOM 324 CE LYS A 20 34.014 -24.245 13.873 1.00 24.41 C ATOM 325 NZ LYS A 20 34.839 -24.431 15.099 1.00 30.12 N ATOM 0 H LYS A 20 29.686 -22.186 13.254 1.00 0.14 H new ATOM 0 HA LYS A 20 30.391 -21.945 10.580 1.00 71.23 H new ATOM 0 HB2 LYS A 20 32.383 -23.258 11.239 1.00 72.30 H new ATOM 0 HB3 LYS A 20 32.011 -22.000 12.401 1.00 72.30 H new ATOM 0 HG2 LYS A 20 30.636 -24.027 13.541 1.00 22.42 H new ATOM 0 HG3 LYS A 20 31.846 -24.969 12.693 1.00 22.42 H new ATOM 0 HD2 LYS A 20 32.731 -22.579 14.304 1.00 54.30 H new ATOM 0 HD3 LYS A 20 32.297 -24.053 15.147 1.00 54.30 H new ATOM 0 HE2 LYS A 20 33.890 -25.204 13.370 1.00 24.41 H new ATOM 0 HE3 LYS A 20 34.537 -23.587 13.179 1.00 24.41 H new ATOM 0 HZ1 LYS A 20 35.763 -24.832 14.838 1.00 30.12 H new ATOM 0 HZ2 LYS A 20 34.979 -23.512 15.566 1.00 30.12 H new ATOM 0 HZ3 LYS A 20 34.352 -25.079 15.750 1.00 30.12 H new ATOM 339 N TYR A 21 28.996 -24.778 11.292 1.00 63.33 N ATOM 340 CA TYR A 21 28.496 -26.029 10.734 1.00 32.23 C ATOM 341 C TYR A 21 27.584 -25.767 9.540 1.00 52.03 C ATOM 342 O TYR A 21 27.303 -26.669 8.750 1.00 1.55 O ATOM 343 CB TYR A 21 27.740 -26.822 11.802 1.00 5.25 C ATOM 344 CG TYR A 21 28.485 -26.932 13.114 1.00 15.31 C ATOM 345 CD1 TYR A 21 29.771 -27.456 13.164 1.00 54.52 C ATOM 346 CD2 TYR A 21 27.901 -26.513 14.304 1.00 45.14 C ATOM 347 CE1 TYR A 21 30.454 -27.559 14.360 1.00 42.41 C ATOM 348 CE2 TYR A 21 28.578 -26.611 15.504 1.00 41.20 C ATOM 349 CZ TYR A 21 29.854 -27.135 15.527 1.00 11.51 C ATOM 350 OH TYR A 21 30.531 -27.235 16.721 1.00 34.10 O ATOM 0 H TYR A 21 28.629 -24.552 12.216 1.00 63.33 H new ATOM 0 HA TYR A 21 29.351 -26.613 10.394 1.00 32.23 H new ATOM 0 HB2 TYR A 21 26.775 -26.347 11.980 1.00 5.25 H new ATOM 0 HB3 TYR A 21 27.537 -27.824 11.424 1.00 5.25 H new ATOM 0 HD1 TYR A 21 30.245 -27.788 12.252 1.00 54.52 H new ATOM 0 HD2 TYR A 21 26.901 -26.104 14.290 1.00 45.14 H new ATOM 0 HE1 TYR A 21 31.453 -27.969 14.381 1.00 42.41 H new ATOM 0 HE2 TYR A 21 28.111 -26.279 16.419 1.00 41.20 H new ATOM 0 HH TYR A 21 29.968 -26.892 17.446 1.00 34.10 H new ATOM 360 N GLN A 22 27.126 -24.526 9.415 1.00 53.44 N ATOM 361 CA GLN A 22 26.245 -24.144 8.317 1.00 44.23 C ATOM 362 C GLN A 22 26.946 -23.177 7.368 1.00 2.21 C ATOM 363 O GLN A 22 26.815 -23.283 6.148 1.00 40.11 O ATOM 364 CB GLN A 22 24.965 -23.506 8.860 1.00 62.34 C ATOM 365 CG GLN A 22 24.228 -24.380 9.861 1.00 74.50 C ATOM 366 CD GLN A 22 23.367 -25.434 9.193 1.00 71.52 C ATOM 367 OE1 GLN A 22 23.530 -25.726 8.008 1.00 41.03 O ATOM 368 NE2 GLN A 22 22.443 -26.013 9.952 1.00 63.05 N ATOM 0 H GLN A 22 27.350 -23.768 10.060 1.00 53.44 H new ATOM 0 HA GLN A 22 25.986 -25.046 7.762 1.00 44.23 H new ATOM 0 HB2 GLN A 22 25.215 -22.557 9.334 1.00 62.34 H new ATOM 0 HB3 GLN A 22 24.299 -23.281 8.027 1.00 62.34 H new ATOM 0 HG2 GLN A 22 24.952 -24.868 10.514 1.00 74.50 H new ATOM 0 HG3 GLN A 22 23.601 -23.752 10.494 1.00 74.50 H new ATOM 0 HE21 GLN A 22 22.342 -25.741 10.930 1.00 63.05 H new ATOM 0 HE22 GLN A 22 21.834 -26.730 9.557 1.00 63.05 H new ATOM 377 N LEU A 23 27.690 -22.234 7.936 1.00 62.12 N ATOM 378 CA LEU A 23 28.412 -21.247 7.140 1.00 23.05 C ATOM 379 C LEU A 23 29.708 -21.834 6.590 1.00 41.22 C ATOM 380 O LEU A 23 30.004 -21.707 5.402 1.00 11.55 O ATOM 381 CB LEU A 23 28.718 -20.008 7.984 1.00 21.22 C ATOM 382 CG LEU A 23 27.645 -19.603 8.995 1.00 52.21 C ATOM 383 CD1 LEU A 23 28.209 -18.616 10.006 1.00 73.24 C ATOM 384 CD2 LEU A 23 26.439 -19.008 8.282 1.00 34.45 C ATOM 0 H LEU A 23 27.809 -22.132 8.944 1.00 62.12 H new ATOM 0 HA LEU A 23 27.779 -20.960 6.300 1.00 23.05 H new ATOM 0 HB2 LEU A 23 29.650 -20.181 8.523 1.00 21.22 H new ATOM 0 HB3 LEU A 23 28.890 -19.168 7.311 1.00 21.22 H new ATOM 0 HG LEU A 23 27.322 -20.496 9.531 1.00 52.21 H new ATOM 0 HD11 LEU A 23 27.431 -18.339 10.717 1.00 73.24 H new ATOM 0 HD12 LEU A 23 29.041 -19.076 10.539 1.00 73.24 H new ATOM 0 HD13 LEU A 23 28.560 -17.724 9.487 1.00 73.24 H new ATOM 0 HD21 LEU A 23 25.685 -18.725 9.017 1.00 34.45 H new ATOM 0 HD22 LEU A 23 26.747 -18.126 7.720 1.00 34.45 H new ATOM 0 HD23 LEU A 23 26.020 -19.746 7.598 1.00 34.45 H new ATOM 396 N GLY A 24 30.477 -22.480 7.462 1.00 50.54 N ATOM 397 CA GLY A 24 31.731 -23.078 7.043 1.00 30.44 C ATOM 398 C GLY A 24 32.860 -22.070 6.974 1.00 44.23 C ATOM 399 O GLY A 24 33.864 -22.202 7.675 1.00 15.21 O ATOM 0 H GLY A 24 30.254 -22.600 8.450 1.00 50.54 H new ATOM 0 HA2 GLY A 24 32.000 -23.874 7.738 1.00 30.44 H new ATOM 0 HA3 GLY A 24 31.600 -23.540 6.064 1.00 30.44 H new ATOM 403 N ARG A 25 32.699 -21.060 6.125 1.00 74.45 N ATOM 404 CA ARG A 25 33.714 -20.027 5.964 1.00 44.03 C ATOM 405 C ARG A 25 33.076 -18.687 5.610 1.00 34.04 C ATOM 406 O ARG A 25 33.753 -17.765 5.154 1.00 61.22 O ATOM 407 CB ARG A 25 34.714 -20.429 4.878 1.00 23.41 C ATOM 408 CG ARG A 25 35.603 -21.598 5.271 1.00 35.43 C ATOM 409 CD ARG A 25 36.383 -22.131 4.080 1.00 52.35 C ATOM 410 NE ARG A 25 37.449 -21.220 3.672 1.00 11.52 N ATOM 411 CZ ARG A 25 38.303 -21.481 2.689 1.00 40.41 C ATOM 412 NH1 ARG A 25 38.216 -22.619 2.016 1.00 60.53 N ATOM 413 NH2 ARG A 25 39.246 -20.601 2.377 1.00 64.11 N ATOM 0 H ARG A 25 31.874 -20.936 5.538 1.00 74.45 H new ATOM 0 HA ARG A 25 34.240 -19.920 6.913 1.00 44.03 H new ATOM 0 HB2 ARG A 25 34.168 -20.688 3.971 1.00 23.41 H new ATOM 0 HB3 ARG A 25 35.342 -19.571 4.638 1.00 23.41 H new ATOM 0 HG2 ARG A 25 36.297 -21.283 6.050 1.00 35.43 H new ATOM 0 HG3 ARG A 25 34.991 -22.396 5.693 1.00 35.43 H new ATOM 0 HD2 ARG A 25 36.812 -23.101 4.332 1.00 52.35 H new ATOM 0 HD3 ARG A 25 35.703 -22.291 3.243 1.00 52.35 H new ATOM 0 HE ARG A 25 37.543 -20.334 4.169 1.00 11.52 H new ATOM 0 HH11 ARG A 25 37.492 -23.297 2.252 1.00 60.53 H new ATOM 0 HH12 ARG A 25 38.873 -22.817 1.261 1.00 60.53 H new ATOM 0 HH21 ARG A 25 39.315 -19.723 2.892 1.00 64.11 H new ATOM 0 HH22 ARG A 25 39.902 -20.802 1.622 1.00 64.11 H new ATOM 427 N LEU A 26 31.768 -18.586 5.824 1.00 23.20 N ATOM 428 CA LEU A 26 31.037 -17.359 5.528 1.00 61.20 C ATOM 429 C LEU A 26 30.944 -16.469 6.763 1.00 30.22 C ATOM 430 O LEU A 26 31.371 -16.853 7.853 1.00 71.23 O ATOM 431 CB LEU A 26 29.634 -17.689 5.016 1.00 32.22 C ATOM 432 CG LEU A 26 29.473 -17.763 3.497 1.00 4.13 C ATOM 433 CD1 LEU A 26 29.128 -19.180 3.065 1.00 3.41 C ATOM 434 CD2 LEU A 26 28.407 -16.785 3.026 1.00 44.24 C ATOM 0 H LEU A 26 31.193 -19.339 6.201 1.00 23.20 H new ATOM 0 HA LEU A 26 31.582 -16.818 4.754 1.00 61.20 H new ATOM 0 HB2 LEU A 26 29.330 -18.646 5.440 1.00 32.22 H new ATOM 0 HB3 LEU A 26 28.944 -16.937 5.398 1.00 32.22 H new ATOM 0 HG LEU A 26 30.421 -17.486 3.036 1.00 4.13 H new ATOM 0 HD11 LEU A 26 29.017 -19.213 1.981 1.00 3.41 H new ATOM 0 HD12 LEU A 26 29.926 -19.858 3.369 1.00 3.41 H new ATOM 0 HD13 LEU A 26 28.193 -19.486 3.535 1.00 3.41 H new ATOM 0 HD21 LEU A 26 28.306 -16.851 1.943 1.00 44.24 H new ATOM 0 HD22 LEU A 26 27.454 -17.031 3.495 1.00 44.24 H new ATOM 0 HD23 LEU A 26 28.696 -15.771 3.302 1.00 44.24 H new ATOM 446 N THR A 27 30.381 -15.278 6.587 1.00 12.11 N ATOM 447 CA THR A 27 30.230 -14.333 7.687 1.00 62.52 C ATOM 448 C THR A 27 28.991 -13.466 7.500 1.00 11.54 C ATOM 449 O THR A 27 28.438 -13.383 6.403 1.00 15.11 O ATOM 450 CB THR A 27 31.466 -13.423 7.819 1.00 74.04 C ATOM 451 OG1 THR A 27 32.174 -13.376 6.575 1.00 25.14 O ATOM 452 CG2 THR A 27 32.391 -13.923 8.918 1.00 43.35 C ATOM 0 H THR A 27 30.022 -14.944 5.693 1.00 12.11 H new ATOM 0 HA THR A 27 30.123 -14.922 8.598 1.00 62.52 H new ATOM 0 HB THR A 27 31.127 -12.421 8.081 1.00 74.04 H new ATOM 0 HG1 THR A 27 32.957 -12.794 6.666 1.00 25.14 H new ATOM 0 HG21 THR A 27 33.257 -13.265 8.993 1.00 43.35 H new ATOM 0 HG22 THR A 27 31.857 -13.929 9.868 1.00 43.35 H new ATOM 0 HG23 THR A 27 32.723 -14.934 8.682 1.00 43.35 H new ATOM 460 N LEU A 28 28.560 -12.819 8.578 1.00 73.21 N ATOM 461 CA LEU A 28 27.385 -11.956 8.533 1.00 51.51 C ATOM 462 C LEU A 28 27.476 -10.973 7.370 1.00 53.12 C ATOM 463 O LEU A 28 26.494 -10.736 6.667 1.00 34.42 O ATOM 464 CB LEU A 28 27.238 -11.192 9.850 1.00 1.02 C ATOM 465 CG LEU A 28 25.853 -11.230 10.497 1.00 22.14 C ATOM 466 CD1 LEU A 28 25.973 -11.349 12.009 1.00 63.23 C ATOM 467 CD2 LEU A 28 25.054 -9.991 10.120 1.00 31.40 C ATOM 0 H LEU A 28 29.007 -12.876 9.493 1.00 73.21 H new ATOM 0 HA LEU A 28 26.508 -12.586 8.385 1.00 51.51 H new ATOM 0 HB2 LEU A 28 27.960 -11.592 10.561 1.00 1.02 H new ATOM 0 HB3 LEU A 28 27.507 -10.150 9.675 1.00 1.02 H new ATOM 0 HG LEU A 28 25.323 -12.107 10.125 1.00 22.14 H new ATOM 0 HD11 LEU A 28 24.977 -11.375 12.452 1.00 63.23 H new ATOM 0 HD12 LEU A 28 26.506 -12.266 12.261 1.00 63.23 H new ATOM 0 HD13 LEU A 28 26.522 -10.492 12.399 1.00 63.23 H new ATOM 0 HD21 LEU A 28 24.071 -10.035 10.589 1.00 31.40 H new ATOM 0 HD22 LEU A 28 25.580 -9.100 10.463 1.00 31.40 H new ATOM 0 HD23 LEU A 28 24.937 -9.949 9.037 1.00 31.40 H new ATOM 479 N GLU A 29 28.662 -10.406 7.172 1.00 14.42 N ATOM 480 CA GLU A 29 28.880 -9.450 6.093 1.00 50.31 C ATOM 481 C GLU A 29 28.601 -10.089 4.735 1.00 1.34 C ATOM 482 O GLU A 29 27.999 -9.470 3.858 1.00 1.15 O ATOM 483 CB GLU A 29 30.315 -8.919 6.134 1.00 34.30 C ATOM 484 CG GLU A 29 30.644 -7.966 4.998 1.00 52.42 C ATOM 485 CD GLU A 29 30.936 -6.559 5.483 1.00 52.11 C ATOM 486 OE1 GLU A 29 29.996 -5.888 5.959 1.00 44.23 O ATOM 487 OE2 GLU A 29 32.105 -6.130 5.387 1.00 53.42 O ATOM 0 H GLU A 29 29.486 -10.592 7.744 1.00 14.42 H new ATOM 0 HA GLU A 29 28.189 -8.619 6.233 1.00 50.31 H new ATOM 0 HB2 GLU A 29 30.478 -8.409 7.083 1.00 34.30 H new ATOM 0 HB3 GLU A 29 31.006 -9.761 6.102 1.00 34.30 H new ATOM 0 HG2 GLU A 29 31.507 -8.344 4.450 1.00 52.42 H new ATOM 0 HG3 GLU A 29 29.809 -7.939 4.298 1.00 52.42 H new ATOM 494 N MET A 30 29.044 -11.331 4.571 1.00 41.24 N ATOM 495 CA MET A 30 28.842 -12.054 3.321 1.00 72.24 C ATOM 496 C MET A 30 27.356 -12.268 3.051 1.00 72.33 C ATOM 497 O MET A 30 26.894 -12.125 1.919 1.00 44.41 O ATOM 498 CB MET A 30 29.564 -13.403 3.364 1.00 15.53 C ATOM 499 CG MET A 30 31.016 -13.301 3.802 1.00 53.52 C ATOM 500 SD MET A 30 32.058 -12.500 2.568 1.00 43.14 S ATOM 501 CE MET A 30 33.524 -12.152 3.537 1.00 53.31 C ATOM 0 H MET A 30 29.545 -11.857 5.287 1.00 41.24 H new ATOM 0 HA MET A 30 29.258 -11.453 2.512 1.00 72.24 H new ATOM 0 HB2 MET A 30 29.033 -14.068 4.045 1.00 15.53 H new ATOM 0 HB3 MET A 30 29.522 -13.860 2.375 1.00 15.53 H new ATOM 0 HG2 MET A 30 31.071 -12.743 4.736 1.00 53.52 H new ATOM 0 HG3 MET A 30 31.402 -14.300 4.004 1.00 53.52 H new ATOM 0 HE1 MET A 30 34.265 -11.655 2.911 1.00 53.31 H new ATOM 0 HE2 MET A 30 33.262 -11.504 4.373 1.00 53.31 H new ATOM 0 HE3 MET A 30 33.939 -13.085 3.918 1.00 53.31 H new ATOM 511 N MET A 31 26.612 -12.613 4.097 1.00 4.41 N ATOM 512 CA MET A 31 25.178 -12.845 3.972 1.00 63.43 C ATOM 513 C MET A 31 24.423 -11.527 3.838 1.00 42.23 C ATOM 514 O MET A 31 23.448 -11.432 3.093 1.00 25.22 O ATOM 515 CB MET A 31 24.658 -13.624 5.182 1.00 5.50 C ATOM 516 CG MET A 31 25.274 -15.006 5.325 1.00 34.15 C ATOM 517 SD MET A 31 24.659 -15.893 6.770 1.00 25.12 S ATOM 518 CE MET A 31 22.914 -16.001 6.385 1.00 53.34 C ATOM 0 H MET A 31 26.979 -12.738 5.041 1.00 4.41 H new ATOM 0 HA MET A 31 25.008 -13.433 3.070 1.00 63.43 H new ATOM 0 HB2 MET A 31 24.859 -13.050 6.087 1.00 5.50 H new ATOM 0 HB3 MET A 31 23.576 -13.724 5.102 1.00 5.50 H new ATOM 0 HG2 MET A 31 25.062 -15.589 4.428 1.00 34.15 H new ATOM 0 HG3 MET A 31 26.358 -14.911 5.395 1.00 34.15 H new ATOM 0 HE1 MET A 31 22.337 -15.515 7.172 1.00 53.34 H new ATOM 0 HE2 MET A 31 22.720 -15.505 5.434 1.00 53.34 H new ATOM 0 HE3 MET A 31 22.621 -17.049 6.314 1.00 53.34 H new ATOM 528 N ASN A 32 24.880 -10.512 4.564 1.00 42.21 N ATOM 529 CA ASN A 32 24.247 -9.199 4.526 1.00 14.22 C ATOM 530 C ASN A 32 24.209 -8.654 3.102 1.00 52.32 C ATOM 531 O ASN A 32 23.206 -8.087 2.671 1.00 55.33 O ATOM 532 CB ASN A 32 24.993 -8.223 5.438 1.00 2.10 C ATOM 533 CG ASN A 32 24.369 -6.841 5.440 1.00 43.44 C ATOM 534 OD1 ASN A 32 24.410 -6.128 4.436 1.00 33.15 O ATOM 535 ND2 ASN A 32 23.788 -6.455 6.570 1.00 64.22 N ATOM 0 H ASN A 32 25.686 -10.574 5.186 1.00 42.21 H new ATOM 0 HA ASN A 32 23.222 -9.307 4.882 1.00 14.22 H new ATOM 0 HB2 ASN A 32 25.003 -8.616 6.455 1.00 2.10 H new ATOM 0 HB3 ASN A 32 26.031 -8.149 5.115 1.00 2.10 H new ATOM 0 HD21 ASN A 32 23.352 -5.535 6.631 1.00 64.22 H new ATOM 0 HD22 ASN A 32 23.778 -7.079 7.377 1.00 64.22 H new ATOM 542 N GLU A 33 25.309 -8.831 2.377 1.00 50.32 N ATOM 543 CA GLU A 33 25.401 -8.356 1.001 1.00 30.20 C ATOM 544 C GLU A 33 24.689 -9.311 0.047 1.00 23.43 C ATOM 545 O GLU A 33 24.211 -8.905 -1.012 1.00 73.31 O ATOM 546 CB GLU A 33 26.866 -8.203 0.588 1.00 62.03 C ATOM 547 CG GLU A 33 27.691 -9.463 0.790 1.00 75.42 C ATOM 548 CD GLU A 33 29.180 -9.184 0.841 1.00 21.30 C ATOM 549 OE1 GLU A 33 29.755 -8.831 -0.210 1.00 33.51 O ATOM 550 OE2 GLU A 33 29.771 -9.319 1.933 1.00 11.32 O ATOM 0 H GLU A 33 26.148 -9.299 2.719 1.00 50.32 H new ATOM 0 HA GLU A 33 24.912 -7.383 0.946 1.00 30.20 H new ATOM 0 HB2 GLU A 33 26.910 -7.915 -0.462 1.00 62.03 H new ATOM 0 HB3 GLU A 33 27.313 -7.391 1.161 1.00 62.03 H new ATOM 0 HG2 GLU A 33 27.384 -9.949 1.716 1.00 75.42 H new ATOM 0 HG3 GLU A 33 27.484 -10.162 -0.020 1.00 75.42 H new ATOM 557 N ILE A 34 24.625 -10.582 0.431 1.00 54.10 N ATOM 558 CA ILE A 34 23.971 -11.595 -0.389 1.00 5.30 C ATOM 559 C ILE A 34 22.454 -11.453 -0.333 1.00 22.15 C ATOM 560 O ILE A 34 21.776 -11.507 -1.359 1.00 2.23 O ATOM 561 CB ILE A 34 24.360 -13.017 0.057 1.00 1.41 C ATOM 562 CG1 ILE A 34 25.771 -13.358 -0.426 1.00 23.34 C ATOM 563 CG2 ILE A 34 23.355 -14.030 -0.469 1.00 33.11 C ATOM 564 CD1 ILE A 34 26.412 -14.497 0.337 1.00 12.44 C ATOM 0 H ILE A 34 25.018 -10.934 1.304 1.00 54.10 H new ATOM 0 HA ILE A 34 24.310 -11.439 -1.413 1.00 5.30 H new ATOM 0 HB ILE A 34 24.350 -13.056 1.146 1.00 1.41 H new ATOM 0 HG12 ILE A 34 25.731 -13.617 -1.484 1.00 23.34 H new ATOM 0 HG13 ILE A 34 26.400 -12.473 -0.338 1.00 23.34 H new ATOM 0 HG21 ILE A 34 23.643 -15.030 -0.146 1.00 33.11 H new ATOM 0 HG22 ILE A 34 22.364 -13.795 -0.081 1.00 33.11 H new ATOM 0 HG23 ILE A 34 23.336 -13.992 -1.558 1.00 33.11 H new ATOM 0 HD11 ILE A 34 27.410 -14.684 -0.059 1.00 12.44 H new ATOM 0 HD12 ILE A 34 26.484 -14.233 1.392 1.00 12.44 H new ATOM 0 HD13 ILE A 34 25.804 -15.395 0.228 1.00 12.44 H new ATOM 576 N VAL A 35 21.927 -11.270 0.874 1.00 72.21 N ATOM 577 CA VAL A 35 20.489 -11.118 1.065 1.00 44.43 C ATOM 578 C VAL A 35 20.015 -9.748 0.594 1.00 51.45 C ATOM 579 O VAL A 35 18.867 -9.585 0.181 1.00 74.01 O ATOM 580 CB VAL A 35 20.096 -11.305 2.542 1.00 4.42 C ATOM 581 CG1 VAL A 35 18.590 -11.468 2.678 1.00 63.43 C ATOM 582 CG2 VAL A 35 20.827 -12.498 3.140 1.00 13.44 C ATOM 0 H VAL A 35 22.474 -11.223 1.734 1.00 72.21 H new ATOM 0 HA VAL A 35 20.006 -11.892 0.468 1.00 44.43 H new ATOM 0 HB VAL A 35 20.391 -10.413 3.095 1.00 4.42 H new ATOM 0 HG11 VAL A 35 18.332 -11.599 3.729 1.00 63.43 H new ATOM 0 HG12 VAL A 35 18.091 -10.580 2.290 1.00 63.43 H new ATOM 0 HG13 VAL A 35 18.266 -12.342 2.113 1.00 63.43 H new ATOM 0 HG21 VAL A 35 20.538 -12.616 4.184 1.00 13.44 H new ATOM 0 HG22 VAL A 35 20.565 -13.400 2.587 1.00 13.44 H new ATOM 0 HG23 VAL A 35 21.903 -12.334 3.078 1.00 13.44 H new ATOM 592 N SER A 36 20.907 -8.764 0.657 1.00 31.24 N ATOM 593 CA SER A 36 20.579 -7.406 0.240 1.00 34.12 C ATOM 594 C SER A 36 20.503 -7.308 -1.280 1.00 60.24 C ATOM 595 O SER A 36 19.601 -6.676 -1.830 1.00 11.41 O ATOM 596 CB SER A 36 21.619 -6.420 0.775 1.00 61.10 C ATOM 597 OG SER A 36 21.727 -5.286 -0.067 1.00 50.35 O ATOM 0 H SER A 36 21.863 -8.882 0.993 1.00 31.24 H new ATOM 0 HA SER A 36 19.603 -7.152 0.652 1.00 34.12 H new ATOM 0 HB2 SER A 36 21.342 -6.105 1.781 1.00 61.10 H new ATOM 0 HB3 SER A 36 22.588 -6.914 0.851 1.00 61.10 H new ATOM 0 HG SER A 36 22.397 -4.671 0.298 1.00 50.35 H new ATOM 603 N LYS A 37 21.458 -7.939 -1.956 1.00 34.23 N ATOM 604 CA LYS A 37 21.501 -7.926 -3.413 1.00 60.11 C ATOM 605 C LYS A 37 20.339 -8.722 -3.999 1.00 43.12 C ATOM 606 O LYS A 37 19.633 -8.244 -4.886 1.00 72.35 O ATOM 607 CB LYS A 37 22.829 -8.502 -3.909 1.00 43.35 C ATOM 608 CG LYS A 37 23.808 -7.445 -4.392 1.00 12.22 C ATOM 609 CD LYS A 37 24.431 -6.690 -3.230 1.00 20.04 C ATOM 610 CE LYS A 37 25.454 -5.672 -3.710 1.00 72.15 C ATOM 611 NZ LYS A 37 25.384 -4.405 -2.931 1.00 61.10 N ATOM 0 H LYS A 37 22.213 -8.466 -1.517 1.00 34.23 H new ATOM 0 HA LYS A 37 21.414 -6.892 -3.745 1.00 60.11 H new ATOM 0 HB2 LYS A 37 23.291 -9.073 -3.104 1.00 43.35 H new ATOM 0 HB3 LYS A 37 22.631 -9.201 -4.722 1.00 43.35 H new ATOM 0 HG2 LYS A 37 24.593 -7.917 -4.983 1.00 12.22 H new ATOM 0 HG3 LYS A 37 23.293 -6.744 -5.049 1.00 12.22 H new ATOM 0 HD2 LYS A 37 23.650 -6.183 -2.664 1.00 20.04 H new ATOM 0 HD3 LYS A 37 24.910 -7.396 -2.551 1.00 20.04 H new ATOM 0 HE2 LYS A 37 26.455 -6.095 -3.625 1.00 72.15 H new ATOM 0 HE3 LYS A 37 25.286 -5.459 -4.766 1.00 72.15 H new ATOM 0 HZ1 LYS A 37 26.097 -3.738 -3.289 1.00 61.10 H new ATOM 0 HZ2 LYS A 37 24.437 -3.987 -3.032 1.00 61.10 H new ATOM 0 HZ3 LYS A 37 25.569 -4.604 -1.927 1.00 61.10 H new ATOM 625 N MET A 38 20.147 -9.937 -3.496 1.00 51.03 N ATOM 626 CA MET A 38 19.068 -10.797 -3.969 1.00 65.30 C ATOM 627 C MET A 38 17.713 -10.124 -3.780 1.00 0.31 C ATOM 628 O MET A 38 16.831 -10.234 -4.631 1.00 53.54 O ATOM 629 CB MET A 38 19.094 -12.136 -3.229 1.00 15.02 C ATOM 630 CG MET A 38 18.536 -12.060 -1.817 1.00 21.13 C ATOM 631 SD MET A 38 18.465 -13.671 -1.011 1.00 34.44 S ATOM 632 CE MET A 38 20.208 -14.061 -0.878 1.00 72.32 C ATOM 0 H MET A 38 20.724 -10.348 -2.762 1.00 51.03 H new ATOM 0 HA MET A 38 19.219 -10.975 -5.034 1.00 65.30 H new ATOM 0 HB2 MET A 38 18.521 -12.868 -3.799 1.00 15.02 H new ATOM 0 HB3 MET A 38 20.121 -12.498 -3.186 1.00 15.02 H new ATOM 0 HG2 MET A 38 19.154 -11.387 -1.222 1.00 21.13 H new ATOM 0 HG3 MET A 38 17.535 -11.629 -1.849 1.00 21.13 H new ATOM 0 HE1 MET A 38 20.343 -15.142 -0.918 1.00 72.32 H new ATOM 0 HE2 MET A 38 20.749 -13.597 -1.703 1.00 72.32 H new ATOM 0 HE3 MET A 38 20.594 -13.682 0.068 1.00 72.32 H new ATOM 642 N ASP A 39 17.555 -9.428 -2.660 1.00 14.43 N ATOM 643 CA ASP A 39 16.307 -8.736 -2.360 1.00 15.45 C ATOM 644 C ASP A 39 16.093 -7.563 -3.311 1.00 51.24 C ATOM 645 O ASP A 39 14.958 -7.197 -3.616 1.00 53.15 O ATOM 646 CB ASP A 39 16.308 -8.240 -0.912 1.00 65.25 C ATOM 647 CG ASP A 39 14.950 -7.730 -0.473 1.00 70.43 C ATOM 648 OD1 ASP A 39 13.935 -8.173 -1.051 1.00 45.23 O ATOM 649 OD2 ASP A 39 14.901 -6.888 0.448 1.00 22.40 O ATOM 0 H ASP A 39 18.275 -9.328 -1.945 1.00 14.43 H new ATOM 0 HA ASP A 39 15.488 -9.443 -2.493 1.00 15.45 H new ATOM 0 HB2 ASP A 39 16.618 -9.051 -0.254 1.00 65.25 H new ATOM 0 HB3 ASP A 39 17.044 -7.443 -0.805 1.00 65.25 H new ATOM 654 N ASP A 40 17.191 -6.977 -3.776 1.00 60.43 N ATOM 655 CA ASP A 40 17.124 -5.846 -4.694 1.00 3.34 C ATOM 656 C ASP A 40 16.561 -6.274 -6.045 1.00 70.10 C ATOM 657 O ASP A 40 15.619 -5.668 -6.557 1.00 62.50 O ATOM 658 CB ASP A 40 18.512 -5.229 -4.878 1.00 14.42 C ATOM 659 CG ASP A 40 18.488 -4.009 -5.778 1.00 71.22 C ATOM 660 OD1 ASP A 40 18.413 -4.185 -7.012 1.00 53.31 O ATOM 661 OD2 ASP A 40 18.545 -2.879 -5.249 1.00 64.21 O ATOM 0 H ASP A 40 18.138 -7.267 -3.532 1.00 60.43 H new ATOM 0 HA ASP A 40 16.457 -5.100 -4.263 1.00 3.34 H new ATOM 0 HB2 ASP A 40 18.915 -4.951 -3.904 1.00 14.42 H new ATOM 0 HB3 ASP A 40 19.185 -5.975 -5.300 1.00 14.42 H new ATOM 666 N PHE A 41 17.144 -7.321 -6.618 1.00 65.44 N ATOM 667 CA PHE A 41 16.702 -7.830 -7.912 1.00 3.24 C ATOM 668 C PHE A 41 15.256 -8.311 -7.841 1.00 60.12 C ATOM 669 O PHE A 41 14.443 -8.001 -8.713 1.00 62.12 O ATOM 670 CB PHE A 41 17.610 -8.972 -8.372 1.00 20.43 C ATOM 671 CG PHE A 41 17.453 -9.315 -9.826 1.00 14.33 C ATOM 672 CD1 PHE A 41 17.131 -8.335 -10.751 1.00 12.42 C ATOM 673 CD2 PHE A 41 17.627 -10.616 -10.267 1.00 70.34 C ATOM 674 CE1 PHE A 41 16.985 -8.647 -12.089 1.00 74.21 C ATOM 675 CE2 PHE A 41 17.482 -10.935 -11.605 1.00 5.23 C ATOM 676 CZ PHE A 41 17.162 -9.949 -12.517 1.00 12.42 C ATOM 0 H PHE A 41 17.924 -7.834 -6.207 1.00 65.44 H new ATOM 0 HA PHE A 41 16.761 -7.016 -8.634 1.00 3.24 H new ATOM 0 HB2 PHE A 41 18.648 -8.699 -8.181 1.00 20.43 H new ATOM 0 HB3 PHE A 41 17.398 -9.858 -7.773 1.00 20.43 H new ATOM 0 HD1 PHE A 41 16.993 -7.316 -10.422 1.00 12.42 H new ATOM 0 HD2 PHE A 41 17.879 -11.391 -9.558 1.00 70.34 H new ATOM 0 HE1 PHE A 41 16.733 -7.874 -12.800 1.00 74.21 H new ATOM 0 HE2 PHE A 41 17.619 -11.954 -11.936 1.00 5.23 H new ATOM 0 HZ PHE A 41 17.050 -10.195 -13.563 1.00 12.42 H new ATOM 686 N LEU A 42 14.942 -9.071 -6.798 1.00 1.02 N ATOM 687 CA LEU A 42 13.594 -9.597 -6.612 1.00 50.31 C ATOM 688 C LEU A 42 12.600 -8.468 -6.358 1.00 74.31 C ATOM 689 O LEU A 42 11.450 -8.532 -6.792 1.00 51.54 O ATOM 690 CB LEU A 42 13.568 -10.587 -5.447 1.00 35.13 C ATOM 691 CG LEU A 42 12.866 -11.919 -5.714 1.00 22.42 C ATOM 692 CD1 LEU A 42 11.361 -11.723 -5.797 1.00 55.45 C ATOM 693 CD2 LEU A 42 13.395 -12.554 -6.992 1.00 51.51 C ATOM 0 H LEU A 42 15.603 -9.337 -6.068 1.00 1.02 H new ATOM 0 HA LEU A 42 13.303 -10.114 -7.526 1.00 50.31 H new ATOM 0 HB2 LEU A 42 14.596 -10.794 -5.149 1.00 35.13 H new ATOM 0 HB3 LEU A 42 13.081 -10.106 -4.599 1.00 35.13 H new ATOM 0 HG LEU A 42 13.078 -12.592 -4.883 1.00 22.42 H new ATOM 0 HD11 LEU A 42 10.879 -12.682 -5.987 1.00 55.45 H new ATOM 0 HD12 LEU A 42 10.995 -11.314 -4.855 1.00 55.45 H new ATOM 0 HD13 LEU A 42 11.128 -11.033 -6.608 1.00 55.45 H new ATOM 0 HD21 LEU A 42 12.884 -13.501 -7.166 1.00 51.51 H new ATOM 0 HD22 LEU A 42 13.214 -11.884 -7.833 1.00 51.51 H new ATOM 0 HD23 LEU A 42 14.466 -12.732 -6.894 1.00 51.51 H new ATOM 705 N MET A 43 13.051 -7.436 -5.654 1.00 5.23 N ATOM 706 CA MET A 43 12.202 -6.291 -5.345 1.00 71.41 C ATOM 707 C MET A 43 11.766 -5.578 -6.621 1.00 71.31 C ATOM 708 O MET A 43 10.623 -5.137 -6.738 1.00 54.32 O ATOM 709 CB MET A 43 12.939 -5.314 -4.428 1.00 25.34 C ATOM 710 CG MET A 43 12.152 -4.049 -4.129 1.00 43.44 C ATOM 711 SD MET A 43 13.013 -2.948 -2.990 1.00 12.32 S ATOM 712 CE MET A 43 14.530 -2.646 -3.892 1.00 3.51 C ATOM 0 H MET A 43 14.000 -7.369 -5.286 1.00 5.23 H new ATOM 0 HA MET A 43 11.313 -6.658 -4.832 1.00 71.41 H new ATOM 0 HB2 MET A 43 13.174 -5.816 -3.490 1.00 25.34 H new ATOM 0 HB3 MET A 43 13.888 -5.041 -4.889 1.00 25.34 H new ATOM 0 HG2 MET A 43 11.955 -3.519 -5.061 1.00 43.44 H new ATOM 0 HG3 MET A 43 11.185 -4.319 -3.706 1.00 43.44 H new ATOM 0 HE1 MET A 43 14.795 -1.591 -3.816 1.00 3.51 H new ATOM 0 HE2 MET A 43 15.331 -3.253 -3.470 1.00 3.51 H new ATOM 0 HE3 MET A 43 14.389 -2.910 -4.940 1.00 3.51 H new ATOM 722 N LYS A 44 12.684 -5.469 -7.576 1.00 12.35 N ATOM 723 CA LYS A 44 12.395 -4.810 -8.844 1.00 34.21 C ATOM 724 C LYS A 44 11.440 -5.649 -9.688 1.00 23.45 C ATOM 725 O LYS A 44 10.592 -5.114 -10.401 1.00 74.42 O ATOM 726 CB LYS A 44 13.690 -4.559 -9.619 1.00 3.45 C ATOM 727 CG LYS A 44 13.963 -5.590 -10.700 1.00 15.03 C ATOM 728 CD LYS A 44 15.374 -5.463 -11.249 1.00 54.20 C ATOM 729 CE LYS A 44 15.476 -4.338 -12.268 1.00 32.12 C ATOM 730 NZ LYS A 44 16.842 -4.242 -12.852 1.00 41.43 N ATOM 0 H LYS A 44 13.635 -5.829 -7.495 1.00 12.35 H new ATOM 0 HA LYS A 44 11.917 -3.854 -8.627 1.00 34.21 H new ATOM 0 HB2 LYS A 44 13.644 -3.570 -10.075 1.00 3.45 H new ATOM 0 HB3 LYS A 44 14.526 -4.549 -8.919 1.00 3.45 H new ATOM 0 HG2 LYS A 44 13.819 -6.591 -10.294 1.00 15.03 H new ATOM 0 HG3 LYS A 44 13.244 -5.468 -11.510 1.00 15.03 H new ATOM 0 HD2 LYS A 44 16.069 -5.278 -10.430 1.00 54.20 H new ATOM 0 HD3 LYS A 44 15.671 -6.404 -11.713 1.00 54.20 H new ATOM 0 HE2 LYS A 44 14.751 -4.503 -13.065 1.00 32.12 H new ATOM 0 HE3 LYS A 44 15.217 -3.392 -11.792 1.00 32.12 H new ATOM 0 HZ1 LYS A 44 16.771 -4.125 -13.883 1.00 41.43 H new ATOM 0 HZ2 LYS A 44 17.337 -3.424 -12.444 1.00 41.43 H new ATOM 0 HZ3 LYS A 44 17.373 -5.110 -12.638 1.00 41.43 H new ATOM 744 N LYS A 45 11.584 -6.967 -9.600 1.00 72.41 N ATOM 745 CA LYS A 45 10.733 -7.882 -10.353 1.00 2.31 C ATOM 746 C LYS A 45 9.274 -7.737 -9.933 1.00 71.40 C ATOM 747 O LYS A 45 8.397 -7.518 -10.768 1.00 74.43 O ATOM 748 CB LYS A 45 11.194 -9.326 -10.146 1.00 71.43 C ATOM 749 CG LYS A 45 10.613 -10.300 -11.157 1.00 24.30 C ATOM 750 CD LYS A 45 11.240 -11.679 -11.027 1.00 11.52 C ATOM 751 CE LYS A 45 10.664 -12.651 -12.045 1.00 0.03 C ATOM 752 NZ LYS A 45 11.631 -13.730 -12.389 1.00 74.14 N ATOM 0 H LYS A 45 12.282 -7.426 -9.015 1.00 72.41 H new ATOM 0 HA LYS A 45 10.815 -7.629 -11.410 1.00 2.31 H new ATOM 0 HB2 LYS A 45 12.282 -9.363 -10.202 1.00 71.43 H new ATOM 0 HB3 LYS A 45 10.915 -9.647 -9.142 1.00 71.43 H new ATOM 0 HG2 LYS A 45 9.535 -10.374 -11.014 1.00 24.30 H new ATOM 0 HG3 LYS A 45 10.775 -9.919 -12.165 1.00 24.30 H new ATOM 0 HD2 LYS A 45 12.319 -11.604 -11.164 1.00 11.52 H new ATOM 0 HD3 LYS A 45 11.072 -12.063 -10.021 1.00 11.52 H new ATOM 0 HE2 LYS A 45 9.751 -13.094 -11.648 1.00 0.03 H new ATOM 0 HE3 LYS A 45 10.388 -12.109 -12.949 1.00 0.03 H new ATOM 0 HZ1 LYS A 45 11.117 -14.544 -12.784 1.00 74.14 H new ATOM 0 HZ2 LYS A 45 12.311 -13.376 -13.092 1.00 74.14 H new ATOM 0 HZ3 LYS A 45 12.141 -14.025 -11.532 1.00 74.14 H new ATOM 766 N SER A 46 9.022 -7.860 -8.634 1.00 34.22 N ATOM 767 CA SER A 46 7.668 -7.746 -8.104 1.00 0.42 C ATOM 768 C SER A 46 7.100 -6.354 -8.362 1.00 15.51 C ATOM 769 O SER A 46 5.885 -6.172 -8.449 1.00 71.02 O ATOM 770 CB SER A 46 7.658 -8.043 -6.603 1.00 4.50 C ATOM 771 OG SER A 46 6.385 -8.499 -6.182 1.00 32.04 O ATOM 0 H SER A 46 9.737 -8.039 -7.929 1.00 34.22 H new ATOM 0 HA SER A 46 7.041 -8.476 -8.616 1.00 0.42 H new ATOM 0 HB2 SER A 46 8.412 -8.796 -6.373 1.00 4.50 H new ATOM 0 HB3 SER A 46 7.927 -7.143 -6.049 1.00 4.50 H new ATOM 0 HG SER A 46 6.405 -8.683 -5.220 1.00 32.04 H new ATOM 777 N LYS A 47 7.987 -5.372 -8.483 1.00 61.22 N ATOM 778 CA LYS A 47 7.577 -3.995 -8.733 1.00 32.44 C ATOM 779 C LYS A 47 7.101 -3.822 -10.171 1.00 50.43 C ATOM 780 O LYS A 47 6.257 -2.972 -10.457 1.00 74.01 O ATOM 781 CB LYS A 47 8.735 -3.037 -8.448 1.00 44.20 C ATOM 782 CG LYS A 47 9.268 -2.341 -9.689 1.00 21.32 C ATOM 783 CD LYS A 47 8.416 -1.140 -10.064 1.00 61.52 C ATOM 784 CE LYS A 47 9.260 0.116 -10.216 1.00 32.11 C ATOM 785 NZ LYS A 47 9.705 0.648 -8.898 1.00 74.11 N ATOM 0 H LYS A 47 8.996 -5.504 -8.412 1.00 61.22 H new ATOM 0 HA LYS A 47 6.748 -3.762 -8.065 1.00 32.44 H new ATOM 0 HB2 LYS A 47 8.405 -2.284 -7.733 1.00 44.20 H new ATOM 0 HB3 LYS A 47 9.546 -3.591 -7.976 1.00 44.20 H new ATOM 0 HG2 LYS A 47 10.295 -2.020 -9.514 1.00 21.32 H new ATOM 0 HG3 LYS A 47 9.292 -3.045 -10.520 1.00 21.32 H new ATOM 0 HD2 LYS A 47 7.891 -1.342 -10.998 1.00 61.52 H new ATOM 0 HD3 LYS A 47 7.656 -0.979 -9.300 1.00 61.52 H new ATOM 0 HE2 LYS A 47 10.132 -0.105 -10.832 1.00 32.11 H new ATOM 0 HE3 LYS A 47 8.685 0.879 -10.740 1.00 32.11 H new ATOM 0 HZ1 LYS A 47 10.277 1.504 -9.044 1.00 74.11 H new ATOM 0 HZ2 LYS A 47 8.873 0.883 -8.320 1.00 74.11 H new ATOM 0 HZ3 LYS A 47 10.276 -0.070 -8.408 1.00 74.11 H new ATOM 799 N ILE A 48 7.647 -4.632 -11.072 1.00 54.21 N ATOM 800 CA ILE A 48 7.275 -4.568 -12.480 1.00 62.41 C ATOM 801 C ILE A 48 5.960 -5.298 -12.735 1.00 44.52 C ATOM 802 O ILE A 48 5.181 -4.909 -13.606 1.00 41.04 O ATOM 803 CB ILE A 48 8.369 -5.176 -13.379 1.00 13.23 C ATOM 804 CG1 ILE A 48 9.642 -4.330 -13.312 1.00 60.01 C ATOM 805 CG2 ILE A 48 7.874 -5.287 -14.813 1.00 43.42 C ATOM 806 CD1 ILE A 48 10.908 -5.151 -13.201 1.00 34.11 C ATOM 0 H ILE A 48 8.348 -5.340 -10.852 1.00 54.21 H new ATOM 0 HA ILE A 48 7.156 -3.513 -12.728 1.00 62.41 H new ATOM 0 HB ILE A 48 8.602 -6.178 -13.018 1.00 13.23 H new ATOM 0 HG12 ILE A 48 9.701 -3.705 -14.203 1.00 60.01 H new ATOM 0 HG13 ILE A 48 9.578 -3.659 -12.456 1.00 60.01 H new ATOM 0 HG21 ILE A 48 8.658 -5.718 -15.436 1.00 43.42 H new ATOM 0 HG22 ILE A 48 6.992 -5.927 -14.845 1.00 43.42 H new ATOM 0 HG23 ILE A 48 7.617 -4.296 -15.187 1.00 43.42 H new ATOM 0 HD11 ILE A 48 11.770 -4.486 -13.158 1.00 34.11 H new ATOM 0 HD12 ILE A 48 10.871 -5.756 -12.295 1.00 34.11 H new ATOM 0 HD13 ILE A 48 10.996 -5.803 -14.070 1.00 34.11 H new ATOM 818 N LEU A 49 5.719 -6.355 -11.969 1.00 33.41 N ATOM 819 CA LEU A 49 4.496 -7.139 -12.110 1.00 23.01 C ATOM 820 C LEU A 49 3.266 -6.287 -11.813 1.00 62.31 C ATOM 821 O LEU A 49 2.153 -6.628 -12.210 1.00 15.33 O ATOM 822 CB LEU A 49 4.531 -8.348 -11.174 1.00 25.24 C ATOM 823 CG LEU A 49 5.841 -9.137 -11.144 1.00 43.43 C ATOM 824 CD1 LEU A 49 5.613 -10.531 -10.582 1.00 75.13 C ATOM 825 CD2 LEU A 49 6.448 -9.214 -12.538 1.00 24.04 C ATOM 0 H LEU A 49 6.353 -6.690 -11.244 1.00 33.41 H new ATOM 0 HA LEU A 49 4.434 -7.487 -13.141 1.00 23.01 H new ATOM 0 HB2 LEU A 49 4.313 -8.005 -10.162 1.00 25.24 H new ATOM 0 HB3 LEU A 49 3.728 -9.027 -11.460 1.00 25.24 H new ATOM 0 HG LEU A 49 6.542 -8.616 -10.492 1.00 43.43 H new ATOM 0 HD11 LEU A 49 6.556 -11.077 -10.569 1.00 75.13 H new ATOM 0 HD12 LEU A 49 5.224 -10.455 -9.567 1.00 75.13 H new ATOM 0 HD13 LEU A 49 4.895 -11.062 -11.207 1.00 75.13 H new ATOM 0 HD21 LEU A 49 7.379 -9.779 -12.499 1.00 24.04 H new ATOM 0 HD22 LEU A 49 5.750 -9.711 -13.212 1.00 24.04 H new ATOM 0 HD23 LEU A 49 6.649 -8.207 -12.903 1.00 24.04 H new ATOM 837 N GLY A 50 3.477 -5.176 -11.114 1.00 14.00 N ATOM 838 CA GLY A 50 2.376 -4.292 -10.778 1.00 3.51 C ATOM 839 C GLY A 50 2.440 -2.976 -11.528 1.00 40.11 C ATOM 840 O GLY A 50 1.417 -2.328 -11.749 1.00 13.22 O ATOM 0 H GLY A 50 4.390 -4.872 -10.775 1.00 14.00 H new ATOM 0 HA2 GLY A 50 1.433 -4.790 -11.003 1.00 3.51 H new ATOM 0 HA3 GLY A 50 2.385 -4.096 -9.706 1.00 3.51 H new ATOM 844 N LYS A 51 3.646 -2.578 -11.920 1.00 74.12 N ATOM 845 CA LYS A 51 3.841 -1.331 -12.650 1.00 14.34 C ATOM 846 C LYS A 51 3.174 -1.392 -14.020 1.00 60.13 C ATOM 847 O LYS A 51 2.485 -2.360 -14.345 1.00 11.22 O ATOM 848 CB LYS A 51 5.334 -1.038 -12.810 1.00 0.43 C ATOM 849 CG LYS A 51 5.787 0.222 -12.092 1.00 50.11 C ATOM 850 CD LYS A 51 5.404 0.195 -10.622 1.00 32.20 C ATOM 851 CE LYS A 51 4.274 1.168 -10.322 1.00 42.22 C ATOM 852 NZ LYS A 51 4.418 1.787 -8.976 1.00 3.34 N ATOM 0 H LYS A 51 4.503 -3.102 -11.744 1.00 74.12 H new ATOM 0 HA LYS A 51 3.379 -0.528 -12.076 1.00 14.34 H new ATOM 0 HB2 LYS A 51 5.905 -1.886 -12.432 1.00 0.43 H new ATOM 0 HB3 LYS A 51 5.566 -0.945 -13.871 1.00 0.43 H new ATOM 0 HG2 LYS A 51 6.868 0.326 -12.185 1.00 50.11 H new ATOM 0 HG3 LYS A 51 5.340 1.094 -12.569 1.00 50.11 H new ATOM 0 HD2 LYS A 51 5.100 -0.814 -10.343 1.00 32.20 H new ATOM 0 HD3 LYS A 51 6.273 0.446 -10.014 1.00 32.20 H new ATOM 0 HE2 LYS A 51 4.257 1.950 -11.081 1.00 42.22 H new ATOM 0 HE3 LYS A 51 3.319 0.645 -10.381 1.00 42.22 H new ATOM 0 HZ1 LYS A 51 3.629 2.443 -8.810 1.00 3.34 H new ATOM 0 HZ2 LYS A 51 4.409 1.043 -8.249 1.00 3.34 H new ATOM 0 HZ3 LYS A 51 5.317 2.307 -8.928 1.00 3.34 H new ATOM 866 N THR A 52 3.384 -0.353 -14.823 1.00 24.22 N ATOM 867 CA THR A 52 2.805 -0.289 -16.158 1.00 75.43 C ATOM 868 C THR A 52 3.840 0.150 -17.187 1.00 61.00 C ATOM 869 O THR A 52 4.962 0.513 -16.836 1.00 71.01 O ATOM 870 CB THR A 52 1.608 0.679 -16.205 1.00 52.34 C ATOM 871 OG1 THR A 52 2.073 2.027 -16.341 1.00 22.34 O ATOM 872 CG2 THR A 52 0.760 0.554 -14.948 1.00 62.24 C ATOM 0 H THR A 52 3.952 0.456 -14.571 1.00 24.22 H new ATOM 0 HA THR A 52 2.460 -1.294 -16.401 1.00 75.43 H new ATOM 0 HB THR A 52 0.993 0.419 -17.066 1.00 52.34 H new ATOM 0 HG1 THR A 52 1.306 2.636 -16.372 1.00 22.34 H new ATOM 0 HG21 THR A 52 -0.079 1.247 -15.005 1.00 62.24 H new ATOM 0 HG22 THR A 52 0.383 -0.465 -14.863 1.00 62.24 H new ATOM 0 HG23 THR A 52 1.367 0.790 -14.074 1.00 62.24 H new ATOM 880 N ASN A 53 3.456 0.115 -18.459 1.00 12.11 N ATOM 881 CA ASN A 53 4.352 0.510 -19.539 1.00 42.43 C ATOM 882 C ASN A 53 4.872 1.929 -19.324 1.00 33.53 C ATOM 883 O ASN A 53 5.938 2.293 -19.819 1.00 4.20 O ATOM 884 CB ASN A 53 3.633 0.418 -20.886 1.00 53.14 C ATOM 885 CG ASN A 53 3.301 -1.012 -21.268 1.00 45.32 C ATOM 886 OD1 ASN A 53 3.975 -1.951 -20.844 1.00 34.12 O ATOM 887 ND2 ASN A 53 2.260 -1.183 -22.074 1.00 12.41 N ATOM 0 H ASN A 53 2.530 -0.183 -18.767 1.00 12.11 H new ATOM 0 HA ASN A 53 5.201 -0.173 -19.540 1.00 42.43 H new ATOM 0 HB2 ASN A 53 2.714 1.003 -20.845 1.00 53.14 H new ATOM 0 HB3 ASN A 53 4.259 0.862 -21.660 1.00 53.14 H new ATOM 0 HD21 ASN A 53 1.990 -2.122 -22.366 1.00 12.41 H new ATOM 0 HD22 ASN A 53 1.730 -0.375 -22.401 1.00 12.41 H new ATOM 894 N LYS A 54 4.111 2.725 -18.581 1.00 32.14 N ATOM 895 CA LYS A 54 4.493 4.103 -18.297 1.00 25.14 C ATOM 896 C LYS A 54 5.746 4.152 -17.427 1.00 61.45 C ATOM 897 O LYS A 54 6.609 5.009 -17.615 1.00 15.34 O ATOM 898 CB LYS A 54 3.347 4.839 -17.599 1.00 61.13 C ATOM 899 CG LYS A 54 2.040 4.801 -18.373 1.00 24.04 C ATOM 900 CD LYS A 54 1.827 6.077 -19.170 1.00 20.22 C ATOM 901 CE LYS A 54 1.276 7.194 -18.297 1.00 75.30 C ATOM 902 NZ LYS A 54 1.601 8.539 -18.846 1.00 42.13 N ATOM 0 H LYS A 54 3.225 2.439 -18.164 1.00 32.14 H new ATOM 0 HA LYS A 54 4.709 4.596 -19.245 1.00 25.14 H new ATOM 0 HB2 LYS A 54 3.190 4.399 -16.614 1.00 61.13 H new ATOM 0 HB3 LYS A 54 3.636 5.878 -17.441 1.00 61.13 H new ATOM 0 HG2 LYS A 54 2.040 3.945 -19.048 1.00 24.04 H new ATOM 0 HG3 LYS A 54 1.210 4.660 -17.681 1.00 24.04 H new ATOM 0 HD2 LYS A 54 2.772 6.392 -19.613 1.00 20.22 H new ATOM 0 HD3 LYS A 54 1.138 5.883 -19.992 1.00 20.22 H new ATOM 0 HE2 LYS A 54 0.194 7.088 -18.212 1.00 75.30 H new ATOM 0 HE3 LYS A 54 1.685 7.104 -17.291 1.00 75.30 H new ATOM 0 HZ1 LYS A 54 1.208 9.273 -18.222 1.00 42.13 H new ATOM 0 HZ2 LYS A 54 2.633 8.650 -18.904 1.00 42.13 H new ATOM 0 HZ3 LYS A 54 1.189 8.635 -19.796 1.00 42.13 H new ATOM 916 N GLN A 55 5.839 3.225 -16.479 1.00 10.42 N ATOM 917 CA GLN A 55 6.987 3.163 -15.582 1.00 41.51 C ATOM 918 C GLN A 55 8.074 2.258 -16.151 1.00 61.52 C ATOM 919 O GLN A 55 9.266 2.505 -15.961 1.00 33.31 O ATOM 920 CB GLN A 55 6.557 2.660 -14.203 1.00 44.11 C ATOM 921 CG GLN A 55 7.447 3.150 -13.072 1.00 43.01 C ATOM 922 CD GLN A 55 7.421 4.658 -12.920 1.00 41.14 C ATOM 923 OE1 GLN A 55 8.424 5.334 -13.150 1.00 3.22 O ATOM 924 NE2 GLN A 55 6.270 5.194 -12.532 1.00 40.40 N ATOM 0 H GLN A 55 5.134 2.507 -16.312 1.00 10.42 H new ATOM 0 HA GLN A 55 7.394 4.169 -15.483 1.00 41.51 H new ATOM 0 HB2 GLN A 55 5.532 2.979 -14.012 1.00 44.11 H new ATOM 0 HB3 GLN A 55 6.556 1.570 -14.207 1.00 44.11 H new ATOM 0 HG2 GLN A 55 7.127 2.689 -12.137 1.00 43.01 H new ATOM 0 HG3 GLN A 55 8.471 2.825 -13.254 1.00 43.01 H new ATOM 0 HE21 GLN A 55 5.464 4.596 -12.352 1.00 40.40 H new ATOM 0 HE22 GLN A 55 6.192 6.204 -12.414 1.00 40.40 H new ATOM 933 N LEU A 56 7.656 1.208 -16.850 1.00 23.44 N ATOM 934 CA LEU A 56 8.594 0.264 -17.447 1.00 25.52 C ATOM 935 C LEU A 56 9.666 0.995 -18.250 1.00 32.53 C ATOM 936 O LEU A 56 9.358 1.832 -19.099 1.00 23.03 O ATOM 937 CB LEU A 56 7.851 -0.724 -18.348 1.00 12.02 C ATOM 938 CG LEU A 56 8.705 -1.474 -19.371 1.00 0.24 C ATOM 939 CD1 LEU A 56 8.154 -2.872 -19.604 1.00 0.02 C ATOM 940 CD2 LEU A 56 8.772 -0.700 -20.679 1.00 42.02 C ATOM 0 H LEU A 56 6.674 0.989 -17.017 1.00 23.44 H new ATOM 0 HA LEU A 56 9.081 -0.285 -16.641 1.00 25.52 H new ATOM 0 HB2 LEU A 56 7.351 -1.457 -17.715 1.00 12.02 H new ATOM 0 HB3 LEU A 56 7.072 -0.181 -18.883 1.00 12.02 H new ATOM 0 HG LEU A 56 9.716 -1.566 -18.974 1.00 0.24 H new ATOM 0 HD11 LEU A 56 8.775 -3.391 -20.335 1.00 0.02 H new ATOM 0 HD12 LEU A 56 8.159 -3.426 -18.665 1.00 0.02 H new ATOM 0 HD13 LEU A 56 7.133 -2.803 -19.979 1.00 0.02 H new ATOM 0 HD21 LEU A 56 9.384 -1.248 -21.395 1.00 42.02 H new ATOM 0 HD22 LEU A 56 7.766 -0.576 -21.080 1.00 42.02 H new ATOM 0 HD23 LEU A 56 9.214 0.280 -20.500 1.00 42.02 H new ATOM 952 N THR A 57 10.926 0.671 -17.977 1.00 62.02 N ATOM 953 CA THR A 57 12.043 1.295 -18.674 1.00 44.53 C ATOM 954 C THR A 57 12.948 0.248 -19.312 1.00 63.33 C ATOM 955 O THR A 57 12.629 -0.941 -19.317 1.00 65.41 O ATOM 956 CB THR A 57 12.881 2.170 -17.722 1.00 63.14 C ATOM 957 OG1 THR A 57 13.620 1.341 -16.818 1.00 60.13 O ATOM 958 CG2 THR A 57 11.991 3.120 -16.935 1.00 71.44 C ATOM 0 H THR A 57 11.198 -0.020 -17.278 1.00 62.02 H new ATOM 0 HA THR A 57 11.616 1.925 -19.454 1.00 44.53 H new ATOM 0 HB THR A 57 13.574 2.760 -18.322 1.00 63.14 H new ATOM 0 HG1 THR A 57 14.151 1.904 -16.217 1.00 60.13 H new ATOM 0 HG21 THR A 57 12.605 3.727 -16.270 1.00 71.44 H new ATOM 0 HG22 THR A 57 11.452 3.769 -17.625 1.00 71.44 H new ATOM 0 HG23 THR A 57 11.277 2.545 -16.345 1.00 71.44 H new ATOM 966 N ARG A 58 14.078 0.696 -19.849 1.00 41.33 N ATOM 967 CA ARG A 58 15.029 -0.203 -20.491 1.00 22.43 C ATOM 968 C ARG A 58 15.399 -1.356 -19.561 1.00 50.15 C ATOM 969 O ARG A 58 15.293 -2.525 -19.933 1.00 40.41 O ATOM 970 CB ARG A 58 16.290 0.560 -20.900 1.00 51.32 C ATOM 971 CG ARG A 58 17.241 -0.252 -21.764 1.00 74.20 C ATOM 972 CD ARG A 58 16.651 -0.522 -23.140 1.00 12.15 C ATOM 973 NE ARG A 58 17.513 -1.382 -23.946 1.00 2.42 N ATOM 974 CZ ARG A 58 18.665 -0.981 -24.472 1.00 40.14 C ATOM 975 NH1 ARG A 58 19.091 0.260 -24.278 1.00 75.31 N ATOM 976 NH2 ARG A 58 19.394 -1.822 -25.195 1.00 21.04 N ATOM 0 H ARG A 58 14.357 1.677 -19.852 1.00 41.33 H new ATOM 0 HA ARG A 58 14.556 -0.614 -21.383 1.00 22.43 H new ATOM 0 HB2 ARG A 58 16.000 1.460 -21.442 1.00 51.32 H new ATOM 0 HB3 ARG A 58 16.816 0.884 -20.002 1.00 51.32 H new ATOM 0 HG2 ARG A 58 18.185 0.283 -21.870 1.00 74.20 H new ATOM 0 HG3 ARG A 58 17.465 -1.198 -21.271 1.00 74.20 H new ATOM 0 HD2 ARG A 58 15.673 -0.990 -23.029 1.00 12.15 H new ATOM 0 HD3 ARG A 58 16.495 0.424 -23.659 1.00 12.15 H new ATOM 0 HE ARG A 58 17.214 -2.343 -24.114 1.00 2.42 H new ATOM 0 HH11 ARG A 58 18.534 0.910 -23.723 1.00 75.31 H new ATOM 0 HH12 ARG A 58 19.976 0.565 -24.683 1.00 75.31 H new ATOM 0 HH21 ARG A 58 19.070 -2.777 -25.347 1.00 21.04 H new ATOM 0 HH22 ARG A 58 20.278 -1.513 -25.599 1.00 21.04 H new ATOM 990 N SER A 59 15.834 -1.018 -18.352 1.00 14.23 N ATOM 991 CA SER A 59 16.223 -2.024 -17.371 1.00 4.23 C ATOM 992 C SER A 59 15.083 -3.006 -17.117 1.00 44.51 C ATOM 993 O SER A 59 15.314 -4.171 -16.793 1.00 15.32 O ATOM 994 CB SER A 59 16.636 -1.354 -16.059 1.00 22.14 C ATOM 995 OG SER A 59 17.994 -0.950 -16.097 1.00 71.22 O ATOM 0 H SER A 59 15.926 -0.055 -18.028 1.00 14.23 H new ATOM 0 HA SER A 59 17.072 -2.577 -17.772 1.00 4.23 H new ATOM 0 HB2 SER A 59 16.001 -0.488 -15.874 1.00 22.14 H new ATOM 0 HB3 SER A 59 16.482 -2.045 -15.230 1.00 22.14 H new ATOM 0 HG SER A 59 18.232 -0.523 -15.248 1.00 71.22 H new ATOM 1001 N ASP A 60 13.854 -2.526 -17.267 1.00 52.22 N ATOM 1002 CA ASP A 60 12.676 -3.360 -17.056 1.00 25.11 C ATOM 1003 C ASP A 60 12.481 -4.328 -18.219 1.00 34.15 C ATOM 1004 O ASP A 60 12.006 -5.449 -18.033 1.00 1.22 O ATOM 1005 CB ASP A 60 11.431 -2.488 -16.886 1.00 62.53 C ATOM 1006 CG ASP A 60 10.187 -3.306 -16.600 1.00 11.00 C ATOM 1007 OD1 ASP A 60 10.322 -4.517 -16.326 1.00 23.02 O ATOM 1008 OD2 ASP A 60 9.078 -2.735 -16.649 1.00 51.41 O ATOM 0 H ASP A 60 13.647 -1.564 -17.534 1.00 52.22 H new ATOM 0 HA ASP A 60 12.829 -3.940 -16.146 1.00 25.11 H new ATOM 0 HB2 ASP A 60 11.594 -1.782 -16.071 1.00 62.53 H new ATOM 0 HB3 ASP A 60 11.276 -1.900 -17.791 1.00 62.53 H new ATOM 1013 N ARG A 61 12.848 -3.887 -19.417 1.00 60.22 N ATOM 1014 CA ARG A 61 12.710 -4.714 -20.610 1.00 45.44 C ATOM 1015 C ARG A 61 13.797 -5.784 -20.659 1.00 0.13 C ATOM 1016 O ARG A 61 13.554 -6.908 -21.095 1.00 21.51 O ATOM 1017 CB ARG A 61 12.778 -3.846 -21.868 1.00 43.34 C ATOM 1018 CG ARG A 61 11.564 -3.986 -22.772 1.00 31.35 C ATOM 1019 CD ARG A 61 10.919 -2.638 -23.052 1.00 31.13 C ATOM 1020 NE ARG A 61 9.997 -2.697 -24.183 1.00 13.14 N ATOM 1021 CZ ARG A 61 9.470 -1.622 -24.758 1.00 12.20 C ATOM 1022 NH1 ARG A 61 9.773 -0.411 -24.311 1.00 11.10 N ATOM 1023 NH2 ARG A 61 8.638 -1.757 -25.783 1.00 42.31 N ATOM 0 H ARG A 61 13.243 -2.962 -19.588 1.00 60.22 H new ATOM 0 HA ARG A 61 11.739 -5.208 -20.569 1.00 45.44 H new ATOM 0 HB2 ARG A 61 12.882 -2.802 -21.573 1.00 43.34 H new ATOM 0 HB3 ARG A 61 13.673 -4.109 -22.432 1.00 43.34 H new ATOM 0 HG2 ARG A 61 11.861 -4.451 -23.712 1.00 31.35 H new ATOM 0 HG3 ARG A 61 10.836 -4.649 -22.305 1.00 31.35 H new ATOM 0 HD2 ARG A 61 10.383 -2.301 -22.165 1.00 31.13 H new ATOM 0 HD3 ARG A 61 11.695 -1.900 -23.255 1.00 31.13 H new ATOM 0 HE ARG A 61 9.744 -3.614 -24.551 1.00 13.14 H new ATOM 0 HH11 ARG A 61 10.412 -0.303 -23.524 1.00 11.10 H new ATOM 0 HH12 ARG A 61 9.367 0.413 -24.755 1.00 11.10 H new ATOM 0 HH21 ARG A 61 8.403 -2.687 -26.130 1.00 42.31 H new ATOM 0 HH22 ARG A 61 8.234 -0.931 -26.224 1.00 42.31 H new ATOM 1037 N GLU A 62 14.995 -5.425 -20.208 1.00 50.40 N ATOM 1038 CA GLU A 62 16.118 -6.354 -20.202 1.00 23.34 C ATOM 1039 C GLU A 62 15.920 -7.439 -19.147 1.00 65.40 C ATOM 1040 O GLU A 62 16.286 -8.597 -19.355 1.00 14.43 O ATOM 1041 CB GLU A 62 17.427 -5.606 -19.940 1.00 10.12 C ATOM 1042 CG GLU A 62 17.758 -5.456 -18.464 1.00 71.34 C ATOM 1043 CD GLU A 62 18.461 -6.675 -17.898 1.00 14.34 C ATOM 1044 OE1 GLU A 62 18.718 -7.623 -18.669 1.00 50.41 O ATOM 1045 OE2 GLU A 62 18.753 -6.681 -16.684 1.00 13.33 O ATOM 0 H GLU A 62 15.212 -4.498 -19.842 1.00 50.40 H new ATOM 0 HA GLU A 62 16.169 -6.828 -21.182 1.00 23.34 H new ATOM 0 HB2 GLU A 62 18.242 -6.134 -20.435 1.00 10.12 H new ATOM 0 HB3 GLU A 62 17.367 -4.616 -20.393 1.00 10.12 H new ATOM 0 HG2 GLU A 62 18.390 -4.579 -18.324 1.00 71.34 H new ATOM 0 HG3 GLU A 62 16.839 -5.279 -17.905 1.00 71.34 H new ATOM 1052 N VAL A 63 15.340 -7.057 -18.014 1.00 42.50 N ATOM 1053 CA VAL A 63 15.093 -7.996 -16.926 1.00 52.55 C ATOM 1054 C VAL A 63 13.937 -8.932 -17.261 1.00 43.01 C ATOM 1055 O VAL A 63 13.982 -10.125 -16.957 1.00 1.21 O ATOM 1056 CB VAL A 63 14.778 -7.260 -15.610 1.00 43.24 C ATOM 1057 CG1 VAL A 63 15.972 -6.430 -15.164 1.00 2.21 C ATOM 1058 CG2 VAL A 63 13.542 -6.388 -15.770 1.00 41.22 C ATOM 0 H VAL A 63 15.032 -6.103 -17.825 1.00 42.50 H new ATOM 0 HA VAL A 63 16.005 -8.580 -16.798 1.00 52.55 H new ATOM 0 HB VAL A 63 14.573 -8.002 -14.839 1.00 43.24 H new ATOM 0 HG11 VAL A 63 15.731 -5.917 -14.233 1.00 2.21 H new ATOM 0 HG12 VAL A 63 16.831 -7.083 -15.007 1.00 2.21 H new ATOM 0 HG13 VAL A 63 16.211 -5.694 -15.932 1.00 2.21 H new ATOM 0 HG21 VAL A 63 13.334 -5.876 -14.831 1.00 41.22 H new ATOM 0 HG22 VAL A 63 13.715 -5.651 -16.555 1.00 41.22 H new ATOM 0 HG23 VAL A 63 12.689 -7.011 -16.040 1.00 41.22 H new ATOM 1068 N LEU A 64 12.903 -8.385 -17.890 1.00 13.25 N ATOM 1069 CA LEU A 64 11.734 -9.171 -18.267 1.00 74.41 C ATOM 1070 C LEU A 64 12.101 -10.231 -19.301 1.00 52.22 C ATOM 1071 O LEU A 64 11.692 -11.387 -19.192 1.00 51.12 O ATOM 1072 CB LEU A 64 10.638 -8.259 -18.822 1.00 21.13 C ATOM 1073 CG LEU A 64 9.361 -8.160 -17.987 1.00 73.10 C ATOM 1074 CD1 LEU A 64 9.694 -8.127 -16.504 1.00 13.25 C ATOM 1075 CD2 LEU A 64 8.559 -6.929 -18.383 1.00 52.03 C ATOM 0 H LEU A 64 12.850 -7.400 -18.150 1.00 13.25 H new ATOM 0 HA LEU A 64 11.362 -9.674 -17.374 1.00 74.41 H new ATOM 0 HB2 LEU A 64 11.051 -7.257 -18.938 1.00 21.13 H new ATOM 0 HB3 LEU A 64 10.370 -8.611 -19.818 1.00 21.13 H new ATOM 0 HG LEU A 64 8.753 -9.043 -18.182 1.00 73.10 H new ATOM 0 HD11 LEU A 64 8.773 -8.056 -15.926 1.00 13.25 H new ATOM 0 HD12 LEU A 64 10.225 -9.038 -16.230 1.00 13.25 H new ATOM 0 HD13 LEU A 64 10.323 -7.262 -16.291 1.00 13.25 H new ATOM 0 HD21 LEU A 64 7.654 -6.875 -17.779 1.00 52.03 H new ATOM 0 HD22 LEU A 64 9.160 -6.035 -18.218 1.00 52.03 H new ATOM 0 HD23 LEU A 64 8.288 -6.995 -19.437 1.00 52.03 H new ATOM 1087 N ASP A 65 12.876 -9.829 -20.302 1.00 51.04 N ATOM 1088 CA ASP A 65 13.302 -10.744 -21.355 1.00 34.53 C ATOM 1089 C ASP A 65 14.235 -11.816 -20.799 1.00 15.45 C ATOM 1090 O ASP A 65 14.211 -12.963 -21.240 1.00 73.54 O ATOM 1091 CB ASP A 65 14.000 -9.976 -22.478 1.00 13.55 C ATOM 1092 CG ASP A 65 13.354 -10.210 -23.829 1.00 34.43 C ATOM 1093 OD1 ASP A 65 13.708 -11.209 -24.490 1.00 13.14 O ATOM 1094 OD2 ASP A 65 12.494 -9.395 -24.226 1.00 25.32 O ATOM 0 H ASP A 65 13.222 -8.875 -20.407 1.00 51.04 H new ATOM 0 HA ASP A 65 12.415 -11.233 -21.757 1.00 34.53 H new ATOM 0 HB2 ASP A 65 13.983 -8.910 -22.250 1.00 13.55 H new ATOM 0 HB3 ASP A 65 15.047 -10.276 -22.523 1.00 13.55 H new ATOM 1099 N ASN A 66 15.056 -11.431 -19.827 1.00 60.20 N ATOM 1100 CA ASN A 66 15.999 -12.358 -19.211 1.00 75.45 C ATOM 1101 C ASN A 66 15.279 -13.320 -18.270 1.00 64.24 C ATOM 1102 O ASN A 66 15.557 -14.519 -18.261 1.00 63.42 O ATOM 1103 CB ASN A 66 17.077 -11.589 -18.446 1.00 11.10 C ATOM 1104 CG ASN A 66 18.042 -12.510 -17.725 1.00 1.44 C ATOM 1105 OD1 ASN A 66 17.948 -12.699 -16.512 1.00 0.53 O ATOM 1106 ND2 ASN A 66 18.977 -13.088 -18.470 1.00 1.43 N ATOM 0 H ASN A 66 15.087 -10.484 -19.449 1.00 60.20 H new ATOM 0 HA ASN A 66 16.471 -12.938 -20.004 1.00 75.45 H new ATOM 0 HB2 ASN A 66 17.631 -10.958 -19.141 1.00 11.10 H new ATOM 0 HB3 ASN A 66 16.602 -10.926 -17.723 1.00 11.10 H new ATOM 0 HD21 ASN A 66 19.655 -13.718 -18.040 1.00 1.43 H new ATOM 0 HD22 ASN A 66 19.017 -12.902 -19.472 1.00 1.43 H new ATOM 1113 N TRP A 67 14.355 -12.786 -17.481 1.00 54.22 N ATOM 1114 CA TRP A 67 13.595 -13.597 -16.537 1.00 11.24 C ATOM 1115 C TRP A 67 12.839 -14.708 -17.257 1.00 42.45 C ATOM 1116 O TRP A 67 12.786 -15.843 -16.784 1.00 14.20 O ATOM 1117 CB TRP A 67 12.615 -12.721 -15.754 1.00 31.21 C ATOM 1118 CG TRP A 67 13.242 -12.029 -14.582 1.00 22.44 C ATOM 1119 CD1 TRP A 67 14.185 -12.541 -13.736 1.00 71.13 C ATOM 1120 CD2 TRP A 67 12.970 -10.700 -14.125 1.00 34.34 C ATOM 1121 NE1 TRP A 67 14.515 -11.610 -12.781 1.00 51.12 N ATOM 1122 CE2 TRP A 67 13.784 -10.472 -12.998 1.00 51.00 C ATOM 1123 CE3 TRP A 67 12.119 -9.680 -14.558 1.00 72.13 C ATOM 1124 CZ2 TRP A 67 13.769 -9.266 -12.301 1.00 65.55 C ATOM 1125 CZ3 TRP A 67 12.105 -8.484 -13.866 1.00 24.42 C ATOM 1126 CH2 TRP A 67 12.927 -8.285 -12.748 1.00 72.21 C ATOM 0 H TRP A 67 14.114 -11.795 -17.476 1.00 54.22 H new ATOM 0 HA TRP A 67 14.299 -14.055 -15.842 1.00 11.24 H new ATOM 0 HB2 TRP A 67 12.192 -11.973 -16.425 1.00 31.21 H new ATOM 0 HB3 TRP A 67 11.788 -13.338 -15.403 1.00 31.21 H new ATOM 0 HD1 TRP A 67 14.609 -13.532 -13.808 1.00 71.13 H new ATOM 0 HE1 TRP A 67 15.194 -11.744 -12.032 1.00 51.12 H new ATOM 0 HE3 TRP A 67 11.483 -9.824 -15.419 1.00 72.13 H new ATOM 0 HZ2 TRP A 67 14.400 -9.111 -11.438 1.00 65.55 H new ATOM 0 HZ3 TRP A 67 11.450 -7.689 -14.192 1.00 24.42 H new ATOM 0 HH2 TRP A 67 12.895 -7.338 -12.229 1.00 72.21 H new ATOM 1137 N ARG A 68 12.257 -14.374 -18.405 1.00 0.45 N ATOM 1138 CA ARG A 68 11.504 -15.344 -19.190 1.00 15.32 C ATOM 1139 C ARG A 68 12.443 -16.286 -19.936 1.00 61.40 C ATOM 1140 O ARG A 68 12.068 -17.407 -20.280 1.00 5.05 O ATOM 1141 CB ARG A 68 10.588 -14.626 -20.184 1.00 22.42 C ATOM 1142 CG ARG A 68 11.246 -14.346 -21.525 1.00 5.43 C ATOM 1143 CD ARG A 68 10.683 -13.089 -22.169 1.00 44.43 C ATOM 1144 NE ARG A 68 9.528 -13.377 -23.014 1.00 71.44 N ATOM 1145 CZ ARG A 68 9.619 -13.920 -24.223 1.00 70.33 C ATOM 1146 NH1 ARG A 68 10.806 -14.232 -24.726 1.00 55.00 N ATOM 1147 NH2 ARG A 68 8.521 -14.153 -24.932 1.00 4.12 N ATOM 0 H ARG A 68 12.293 -13.439 -18.811 1.00 0.45 H new ATOM 0 HA ARG A 68 10.895 -15.934 -18.505 1.00 15.32 H new ATOM 0 HB2 ARG A 68 9.696 -15.231 -20.346 1.00 22.42 H new ATOM 0 HB3 ARG A 68 10.259 -13.684 -19.746 1.00 22.42 H new ATOM 0 HG2 ARG A 68 12.322 -14.236 -21.388 1.00 5.43 H new ATOM 0 HG3 ARG A 68 11.095 -15.196 -22.190 1.00 5.43 H new ATOM 0 HD2 ARG A 68 10.396 -12.381 -21.392 1.00 44.43 H new ATOM 0 HD3 ARG A 68 11.458 -12.609 -22.766 1.00 44.43 H new ATOM 0 HE ARG A 68 8.600 -13.149 -22.657 1.00 71.44 H new ATOM 0 HH11 ARG A 68 11.652 -14.055 -24.184 1.00 55.00 H new ATOM 0 HH12 ARG A 68 10.873 -14.649 -25.655 1.00 55.00 H new ATOM 0 HH21 ARG A 68 7.606 -13.915 -24.549 1.00 4.12 H new ATOM 0 HH22 ARG A 68 8.592 -14.570 -25.860 1.00 4.12 H new ATOM 1161 N GLU A 69 13.664 -15.823 -20.183 1.00 64.24 N ATOM 1162 CA GLU A 69 14.656 -16.625 -20.890 1.00 62.11 C ATOM 1163 C GLU A 69 15.206 -17.728 -19.990 1.00 1.33 C ATOM 1164 O GLU A 69 15.388 -18.866 -20.423 1.00 70.23 O ATOM 1165 CB GLU A 69 15.801 -15.739 -21.387 1.00 75.32 C ATOM 1166 CG GLU A 69 17.173 -16.202 -20.926 1.00 55.41 C ATOM 1167 CD GLU A 69 18.299 -15.406 -21.557 1.00 13.11 C ATOM 1168 OE1 GLU A 69 18.722 -15.761 -22.677 1.00 30.03 O ATOM 1169 OE2 GLU A 69 18.756 -14.427 -20.930 1.00 65.51 O ATOM 0 H GLU A 69 13.990 -14.898 -19.904 1.00 64.24 H new ATOM 0 HA GLU A 69 14.167 -17.089 -21.747 1.00 62.11 H new ATOM 0 HB2 GLU A 69 15.783 -15.713 -22.477 1.00 75.32 H new ATOM 0 HB3 GLU A 69 15.636 -14.719 -21.041 1.00 75.32 H new ATOM 0 HG2 GLU A 69 17.236 -16.116 -19.841 1.00 55.41 H new ATOM 0 HG3 GLU A 69 17.297 -17.257 -21.170 1.00 55.41 H new ATOM 1176 N LEU A 70 15.470 -17.382 -18.735 1.00 14.35 N ATOM 1177 CA LEU A 70 16.000 -18.341 -17.772 1.00 15.14 C ATOM 1178 C LEU A 70 14.919 -19.323 -17.331 1.00 22.33 C ATOM 1179 O LEU A 70 15.172 -20.520 -17.199 1.00 62.21 O ATOM 1180 CB LEU A 70 16.568 -17.610 -16.554 1.00 20.10 C ATOM 1181 CG LEU A 70 15.683 -16.518 -15.953 1.00 15.01 C ATOM 1182 CD1 LEU A 70 14.850 -17.075 -14.808 1.00 64.34 C ATOM 1183 CD2 LEU A 70 16.529 -15.346 -15.478 1.00 22.22 C ATOM 0 H LEU A 70 15.326 -16.444 -18.360 1.00 14.35 H new ATOM 0 HA LEU A 70 16.799 -18.902 -18.257 1.00 15.14 H new ATOM 0 HB2 LEU A 70 16.778 -18.347 -15.779 1.00 20.10 H new ATOM 0 HB3 LEU A 70 17.521 -17.163 -16.836 1.00 20.10 H new ATOM 0 HG LEU A 70 15.005 -16.160 -16.728 1.00 15.01 H new ATOM 0 HD11 LEU A 70 14.227 -16.283 -14.393 1.00 64.34 H new ATOM 0 HD12 LEU A 70 14.215 -17.880 -15.178 1.00 64.34 H new ATOM 0 HD13 LEU A 70 15.511 -17.461 -14.032 1.00 64.34 H new ATOM 0 HD21 LEU A 70 15.882 -14.579 -15.053 1.00 22.22 H new ATOM 0 HD22 LEU A 70 17.232 -15.689 -14.719 1.00 22.22 H new ATOM 0 HD23 LEU A 70 17.080 -14.930 -16.321 1.00 22.22 H new ATOM 1195 N GLU A 71 13.714 -18.808 -17.106 1.00 62.52 N ATOM 1196 CA GLU A 71 12.595 -19.642 -16.682 1.00 3.53 C ATOM 1197 C GLU A 71 12.208 -20.631 -17.777 1.00 32.34 C ATOM 1198 O GLU A 71 11.748 -21.737 -17.494 1.00 23.34 O ATOM 1199 CB GLU A 71 11.391 -18.770 -16.317 1.00 65.31 C ATOM 1200 CG GLU A 71 10.552 -18.360 -17.515 1.00 71.13 C ATOM 1201 CD GLU A 71 9.430 -17.410 -17.144 1.00 31.23 C ATOM 1202 OE1 GLU A 71 9.334 -17.043 -15.954 1.00 1.22 O ATOM 1203 OE2 GLU A 71 8.648 -17.034 -18.042 1.00 31.43 O ATOM 0 H GLU A 71 13.488 -17.819 -17.210 1.00 62.52 H new ATOM 0 HA GLU A 71 12.907 -20.205 -15.802 1.00 3.53 H new ATOM 0 HB2 GLU A 71 10.761 -19.312 -15.611 1.00 65.31 H new ATOM 0 HB3 GLU A 71 11.743 -17.874 -15.807 1.00 65.31 H new ATOM 0 HG2 GLU A 71 11.194 -17.886 -18.258 1.00 71.13 H new ATOM 0 HG3 GLU A 71 10.130 -19.251 -17.980 1.00 71.13 H new ATOM 1210 N MET A 72 12.396 -20.224 -19.028 1.00 22.44 N ATOM 1211 CA MET A 72 12.067 -21.075 -20.165 1.00 61.23 C ATOM 1212 C MET A 72 13.253 -21.955 -20.547 1.00 62.12 C ATOM 1213 O MET A 72 13.087 -23.002 -21.173 1.00 73.14 O ATOM 1214 CB MET A 72 11.644 -20.222 -21.362 1.00 41.44 C ATOM 1215 CG MET A 72 12.814 -19.622 -22.125 1.00 4.11 C ATOM 1216 SD MET A 72 12.308 -18.829 -23.663 1.00 60.12 S ATOM 1217 CE MET A 72 10.856 -17.932 -23.120 1.00 32.42 C ATOM 0 H MET A 72 12.774 -19.311 -19.280 1.00 22.44 H new ATOM 0 HA MET A 72 11.237 -21.720 -19.876 1.00 61.23 H new ATOM 0 HB2 MET A 72 11.053 -20.834 -22.043 1.00 41.44 H new ATOM 0 HB3 MET A 72 10.997 -19.417 -21.013 1.00 41.44 H new ATOM 0 HG2 MET A 72 13.318 -18.891 -21.493 1.00 4.11 H new ATOM 0 HG3 MET A 72 13.538 -20.406 -22.346 1.00 4.11 H new ATOM 0 HE1 MET A 72 10.574 -17.203 -23.879 1.00 32.42 H new ATOM 0 HE2 MET A 72 10.034 -18.631 -22.964 1.00 32.42 H new ATOM 0 HE3 MET A 72 11.076 -17.416 -22.185 1.00 32.42 H new ATOM 1227 N LYS A 73 14.451 -21.524 -20.167 1.00 11.23 N ATOM 1228 CA LYS A 73 15.665 -22.272 -20.468 1.00 65.10 C ATOM 1229 C LYS A 73 15.795 -23.489 -19.557 1.00 52.13 C ATOM 1230 O LYS A 73 16.482 -24.454 -19.890 1.00 31.25 O ATOM 1231 CB LYS A 73 16.894 -21.373 -20.314 1.00 24.33 C ATOM 1232 CG LYS A 73 17.345 -20.731 -21.614 1.00 0.40 C ATOM 1233 CD LYS A 73 18.803 -21.039 -21.913 1.00 13.35 C ATOM 1234 CE LYS A 73 18.941 -22.247 -22.825 1.00 62.54 C ATOM 1235 NZ LYS A 73 20.221 -22.224 -23.586 1.00 23.31 N ATOM 0 H LYS A 73 14.607 -20.659 -19.649 1.00 11.23 H new ATOM 0 HA LYS A 73 15.602 -22.618 -21.500 1.00 65.10 H new ATOM 0 HB2 LYS A 73 16.672 -20.589 -19.590 1.00 24.33 H new ATOM 0 HB3 LYS A 73 17.715 -21.962 -19.905 1.00 24.33 H new ATOM 0 HG2 LYS A 73 16.721 -21.089 -22.433 1.00 0.40 H new ATOM 0 HG3 LYS A 73 17.205 -19.652 -21.555 1.00 0.40 H new ATOM 0 HD2 LYS A 73 19.270 -20.173 -22.381 1.00 13.35 H new ATOM 0 HD3 LYS A 73 19.336 -21.223 -20.980 1.00 13.35 H new ATOM 0 HE2 LYS A 73 18.888 -23.159 -22.230 1.00 62.54 H new ATOM 0 HE3 LYS A 73 18.104 -22.273 -23.523 1.00 62.54 H new ATOM 0 HZ1 LYS A 73 20.277 -23.064 -24.196 1.00 23.31 H new ATOM 0 HZ2 LYS A 73 20.260 -21.366 -24.173 1.00 23.31 H new ATOM 0 HZ3 LYS A 73 21.020 -22.225 -22.921 1.00 23.31 H new ATOM 1249 N ALA A 74 15.129 -23.436 -18.408 1.00 52.14 N ATOM 1250 CA ALA A 74 15.167 -24.535 -17.452 1.00 31.20 C ATOM 1251 C ALA A 74 14.327 -25.713 -17.935 1.00 44.24 C ATOM 1252 O ALA A 74 14.240 -26.742 -17.265 1.00 41.30 O ATOM 1253 CB ALA A 74 14.684 -24.065 -16.088 1.00 0.11 C ATOM 0 H ALA A 74 14.557 -22.643 -18.117 1.00 52.14 H new ATOM 0 HA ALA A 74 16.200 -24.871 -17.364 1.00 31.20 H new ATOM 0 HB1 ALA A 74 14.718 -24.896 -15.384 1.00 0.11 H new ATOM 0 HB2 ALA A 74 15.328 -23.261 -15.731 1.00 0.11 H new ATOM 0 HB3 ALA A 74 13.660 -23.701 -16.170 1.00 0.11 H new ATOM 1259 N ARG A 75 13.711 -25.555 -19.102 1.00 52.40 N ATOM 1260 CA ARG A 75 12.876 -26.605 -19.674 1.00 5.42 C ATOM 1261 C ARG A 75 11.986 -27.233 -18.606 1.00 61.30 C ATOM 1262 O ARG A 75 11.741 -28.440 -18.618 1.00 3.14 O ATOM 1263 CB ARG A 75 13.748 -27.680 -20.325 1.00 31.34 C ATOM 1264 CG ARG A 75 14.591 -28.464 -19.332 1.00 44.40 C ATOM 1265 CD ARG A 75 15.123 -29.749 -19.946 1.00 23.35 C ATOM 1266 NE ARG A 75 14.125 -30.816 -19.932 1.00 45.34 N ATOM 1267 CZ ARG A 75 13.772 -31.478 -18.837 1.00 25.35 C ATOM 1268 NH1 ARG A 75 14.333 -31.185 -17.671 1.00 71.42 N ATOM 1269 NH2 ARG A 75 12.857 -32.436 -18.905 1.00 34.01 N ATOM 0 H ARG A 75 13.774 -24.710 -19.670 1.00 52.40 H new ATOM 0 HA ARG A 75 12.238 -26.155 -20.435 1.00 5.42 H new ATOM 0 HB2 ARG A 75 13.108 -28.373 -20.872 1.00 31.34 H new ATOM 0 HB3 ARG A 75 14.406 -27.209 -21.055 1.00 31.34 H new ATOM 0 HG2 ARG A 75 15.425 -27.848 -18.995 1.00 44.40 H new ATOM 0 HG3 ARG A 75 13.993 -28.700 -18.452 1.00 44.40 H new ATOM 0 HD2 ARG A 75 15.435 -29.558 -20.973 1.00 23.35 H new ATOM 0 HD3 ARG A 75 16.008 -30.073 -19.399 1.00 23.35 H new ATOM 0 HE ARG A 75 13.675 -31.066 -20.812 1.00 45.34 H new ATOM 0 HH11 ARG A 75 15.037 -30.449 -17.614 1.00 71.42 H new ATOM 0 HH12 ARG A 75 14.060 -31.695 -16.831 1.00 71.42 H new ATOM 0 HH21 ARG A 75 12.424 -32.665 -19.800 1.00 34.01 H new ATOM 0 HH22 ARG A 75 12.587 -32.944 -18.063 1.00 34.01 H new ATOM 1283 N LYS A 76 11.504 -26.407 -17.683 1.00 64.53 N ATOM 1284 CA LYS A 76 10.641 -26.881 -16.608 1.00 55.32 C ATOM 1285 C LYS A 76 9.817 -25.735 -16.028 1.00 72.51 C ATOM 1286 O LYS A 76 10.349 -24.667 -15.725 1.00 32.53 O ATOM 1287 CB LYS A 76 11.476 -27.532 -15.504 1.00 62.31 C ATOM 1288 CG LYS A 76 10.666 -28.408 -14.564 1.00 74.25 C ATOM 1289 CD LYS A 76 10.518 -29.820 -15.106 1.00 64.22 C ATOM 1290 CE LYS A 76 9.611 -30.664 -14.224 1.00 3.12 C ATOM 1291 NZ LYS A 76 10.355 -31.275 -13.087 1.00 51.24 N ATOM 0 H LYS A 76 11.697 -25.406 -17.658 1.00 64.53 H new ATOM 0 HA LYS A 76 9.959 -27.623 -17.024 1.00 55.32 H new ATOM 0 HB2 LYS A 76 12.261 -28.134 -15.961 1.00 62.31 H new ATOM 0 HB3 LYS A 76 11.969 -26.751 -14.925 1.00 62.31 H new ATOM 0 HG2 LYS A 76 11.150 -28.441 -13.588 1.00 74.25 H new ATOM 0 HG3 LYS A 76 9.679 -27.969 -14.416 1.00 74.25 H new ATOM 0 HD2 LYS A 76 10.111 -29.782 -16.117 1.00 64.22 H new ATOM 0 HD3 LYS A 76 11.499 -30.289 -15.175 1.00 64.22 H new ATOM 0 HE2 LYS A 76 8.802 -30.045 -13.837 1.00 3.12 H new ATOM 0 HE3 LYS A 76 9.152 -31.451 -14.823 1.00 3.12 H new ATOM 0 HZ1 LYS A 76 9.702 -31.842 -12.510 1.00 51.24 H new ATOM 0 HZ2 LYS A 76 11.111 -31.886 -13.456 1.00 51.24 H new ATOM 0 HZ3 LYS A 76 10.772 -30.524 -12.501 1.00 51.24 H new ATOM 1305 N ARG A 77 8.517 -25.966 -15.875 1.00 51.23 N ATOM 1306 CA ARG A 77 7.620 -24.953 -15.331 1.00 64.00 C ATOM 1307 C ARG A 77 7.675 -24.941 -13.806 1.00 62.31 C ATOM 1308 O ARG A 77 6.941 -25.674 -13.142 1.00 62.41 O ATOM 1309 CB ARG A 77 6.186 -25.207 -15.798 1.00 40.14 C ATOM 1310 CG ARG A 77 5.711 -26.631 -15.561 1.00 11.14 C ATOM 1311 CD ARG A 77 4.321 -26.659 -14.945 1.00 11.15 C ATOM 1312 NE ARG A 77 3.281 -26.368 -15.927 1.00 53.33 N ATOM 1313 CZ ARG A 77 1.981 -26.467 -15.673 1.00 33.20 C ATOM 1314 NH1 ARG A 77 1.564 -26.848 -14.473 1.00 72.14 N ATOM 1315 NH2 ARG A 77 1.095 -26.185 -16.619 1.00 53.15 N ATOM 0 H ARG A 77 8.062 -26.845 -16.120 1.00 51.23 H new ATOM 0 HA ARG A 77 7.947 -23.980 -15.697 1.00 64.00 H new ATOM 0 HB2 ARG A 77 5.517 -24.519 -15.280 1.00 40.14 H new ATOM 0 HB3 ARG A 77 6.114 -24.981 -16.862 1.00 40.14 H new ATOM 0 HG2 ARG A 77 5.703 -27.175 -16.506 1.00 11.14 H new ATOM 0 HG3 ARG A 77 6.412 -27.145 -14.903 1.00 11.14 H new ATOM 0 HD2 ARG A 77 4.139 -27.639 -14.505 1.00 11.15 H new ATOM 0 HD3 ARG A 77 4.269 -25.931 -14.135 1.00 11.15 H new ATOM 0 HE ARG A 77 3.568 -26.072 -16.860 1.00 53.33 H new ATOM 0 HH11 ARG A 77 2.242 -27.066 -13.743 1.00 72.14 H new ATOM 0 HH12 ARG A 77 0.565 -26.923 -14.280 1.00 72.14 H new ATOM 0 HH21 ARG A 77 1.412 -25.892 -17.543 1.00 53.15 H new ATOM 0 HH22 ARG A 77 0.097 -26.262 -16.422 1.00 53.15 H new ATOM 1329 N LEU A 78 8.550 -24.105 -13.257 1.00 73.44 N ATOM 1330 CA LEU A 78 8.701 -23.998 -11.810 1.00 63.04 C ATOM 1331 C LEU A 78 7.388 -23.583 -11.155 1.00 3.33 C ATOM 1332 O LEU A 78 6.489 -23.041 -11.798 1.00 10.23 O ATOM 1333 CB LEU A 78 9.798 -22.989 -11.466 1.00 41.22 C ATOM 1334 CG LEU A 78 11.220 -23.545 -11.381 1.00 73.42 C ATOM 1335 CD1 LEU A 78 11.487 -24.505 -12.530 1.00 51.14 C ATOM 1336 CD2 LEU A 78 12.237 -22.413 -11.382 1.00 34.34 C ATOM 0 H LEU A 78 9.165 -23.492 -13.792 1.00 73.44 H new ATOM 0 HA LEU A 78 8.983 -24.978 -11.425 1.00 63.04 H new ATOM 0 HB2 LEU A 78 9.783 -22.197 -12.215 1.00 41.22 H new ATOM 0 HB3 LEU A 78 9.552 -22.528 -10.510 1.00 41.22 H new ATOM 0 HG LEU A 78 11.319 -24.094 -10.445 1.00 73.42 H new ATOM 0 HD11 LEU A 78 12.504 -24.891 -12.453 1.00 51.14 H new ATOM 0 HD12 LEU A 78 10.780 -25.333 -12.484 1.00 51.14 H new ATOM 0 HD13 LEU A 78 11.369 -23.980 -13.478 1.00 51.14 H new ATOM 0 HD21 LEU A 78 13.243 -22.828 -11.321 1.00 34.34 H new ATOM 0 HD22 LEU A 78 12.138 -21.835 -12.301 1.00 34.34 H new ATOM 0 HD23 LEU A 78 12.060 -21.764 -10.525 1.00 34.34 H new ATOM 1348 N PRO A 79 7.274 -23.840 -9.843 1.00 41.02 N ATOM 1349 CA PRO A 79 6.076 -23.498 -9.071 1.00 32.51 C ATOM 1350 C PRO A 79 5.912 -21.993 -8.890 1.00 24.33 C ATOM 1351 O PRO A 79 4.835 -21.443 -9.117 1.00 55.15 O ATOM 1352 CB PRO A 79 6.319 -24.176 -7.720 1.00 63.42 C ATOM 1353 CG PRO A 79 7.801 -24.282 -7.611 1.00 63.42 C ATOM 1354 CD PRO A 79 8.306 -24.484 -9.013 1.00 43.52 C ATOM 0 HA PRO A 79 5.163 -23.825 -9.570 1.00 32.51 H new ATOM 0 HB2 PRO A 79 5.903 -23.589 -6.902 1.00 63.42 H new ATOM 0 HB3 PRO A 79 5.848 -25.158 -7.679 1.00 63.42 H new ATOM 0 HG2 PRO A 79 8.225 -23.380 -7.170 1.00 63.42 H new ATOM 0 HG3 PRO A 79 8.086 -25.116 -6.969 1.00 63.42 H new ATOM 0 HD2 PRO A 79 9.283 -24.024 -9.158 1.00 43.52 H new ATOM 0 HD3 PRO A 79 8.413 -25.542 -9.253 1.00 43.52 H new ATOM 1362 N THR A 80 6.989 -21.331 -8.479 1.00 3.24 N ATOM 1363 CA THR A 80 6.965 -19.889 -8.266 1.00 70.21 C ATOM 1364 C THR A 80 7.359 -19.140 -9.534 1.00 14.11 C ATOM 1365 O THR A 80 7.990 -19.702 -10.430 1.00 12.12 O ATOM 1366 CB THR A 80 7.911 -19.474 -7.123 1.00 54.33 C ATOM 1367 OG1 THR A 80 8.217 -20.608 -6.305 1.00 4.34 O ATOM 1368 CG2 THR A 80 7.282 -18.382 -6.271 1.00 41.40 C ATOM 0 H THR A 80 7.889 -21.771 -8.287 1.00 3.24 H new ATOM 0 HA THR A 80 5.943 -19.626 -7.995 1.00 70.21 H new ATOM 0 HB THR A 80 8.830 -19.086 -7.563 1.00 54.33 H new ATOM 0 HG1 THR A 80 9.103 -20.492 -5.903 1.00 4.34 H new ATOM 0 HG21 THR A 80 7.968 -18.105 -5.470 1.00 41.40 H new ATOM 0 HG22 THR A 80 7.077 -17.509 -6.891 1.00 41.40 H new ATOM 0 HG23 THR A 80 6.350 -18.748 -5.840 1.00 41.40 H new ATOM 1376 N THR A 81 6.983 -17.867 -9.604 1.00 52.42 N ATOM 1377 CA THR A 81 7.296 -17.040 -10.763 1.00 23.01 C ATOM 1378 C THR A 81 8.166 -15.851 -10.371 1.00 64.31 C ATOM 1379 O THR A 81 8.667 -15.125 -11.231 1.00 15.32 O ATOM 1380 CB THR A 81 6.017 -16.522 -11.446 1.00 54.02 C ATOM 1381 OG1 THR A 81 5.101 -17.603 -11.655 1.00 12.21 O ATOM 1382 CG2 THR A 81 6.343 -15.863 -12.778 1.00 1.12 C ATOM 0 H THR A 81 6.461 -17.386 -8.871 1.00 52.42 H new ATOM 0 HA THR A 81 7.842 -17.672 -11.463 1.00 23.01 H new ATOM 0 HB THR A 81 5.559 -15.779 -10.793 1.00 54.02 H new ATOM 0 HG1 THR A 81 4.290 -17.265 -12.088 1.00 12.21 H new ATOM 0 HG21 THR A 81 5.424 -15.505 -13.242 1.00 1.12 H new ATOM 0 HG22 THR A 81 7.017 -15.023 -12.613 1.00 1.12 H new ATOM 0 HG23 THR A 81 6.822 -16.589 -13.435 1.00 1.12 H new ATOM 1390 N LEU A 82 8.344 -15.658 -9.069 1.00 23.21 N ATOM 1391 CA LEU A 82 9.156 -14.557 -8.563 1.00 12.34 C ATOM 1392 C LEU A 82 10.519 -15.056 -8.093 1.00 15.53 C ATOM 1393 O LEU A 82 10.778 -15.147 -6.893 1.00 33.54 O ATOM 1394 CB LEU A 82 8.434 -13.852 -7.413 1.00 12.21 C ATOM 1395 CG LEU A 82 7.599 -12.629 -7.794 1.00 74.11 C ATOM 1396 CD1 LEU A 82 6.824 -12.115 -6.590 1.00 61.34 C ATOM 1397 CD2 LEU A 82 8.487 -11.534 -8.366 1.00 53.23 C ATOM 0 H LEU A 82 7.937 -16.249 -8.344 1.00 23.21 H new ATOM 0 HA LEU A 82 9.310 -13.848 -9.377 1.00 12.34 H new ATOM 0 HB2 LEU A 82 7.781 -14.574 -6.923 1.00 12.21 H new ATOM 0 HB3 LEU A 82 9.178 -13.545 -6.678 1.00 12.21 H new ATOM 0 HG LEU A 82 6.883 -12.926 -8.561 1.00 74.11 H new ATOM 0 HD11 LEU A 82 6.236 -11.245 -6.881 1.00 61.34 H new ATOM 0 HD12 LEU A 82 6.159 -12.897 -6.225 1.00 61.34 H new ATOM 0 HD13 LEU A 82 7.522 -11.834 -5.801 1.00 61.34 H new ATOM 0 HD21 LEU A 82 7.876 -10.671 -8.632 1.00 53.23 H new ATOM 0 HD22 LEU A 82 9.227 -11.239 -7.621 1.00 53.23 H new ATOM 0 HD23 LEU A 82 8.996 -11.906 -9.255 1.00 53.23 H new ATOM 1409 N PHE A 83 11.387 -15.375 -9.046 1.00 42.44 N ATOM 1410 CA PHE A 83 12.724 -15.863 -8.730 1.00 44.24 C ATOM 1411 C PHE A 83 13.777 -15.155 -9.579 1.00 75.35 C ATOM 1412 O PHE A 83 13.463 -14.239 -10.339 1.00 44.53 O ATOM 1413 CB PHE A 83 12.805 -17.374 -8.954 1.00 34.40 C ATOM 1414 CG PHE A 83 12.218 -17.819 -10.263 1.00 51.44 C ATOM 1415 CD1 PHE A 83 12.623 -17.234 -11.453 1.00 34.43 C ATOM 1416 CD2 PHE A 83 11.261 -18.820 -10.305 1.00 23.13 C ATOM 1417 CE1 PHE A 83 12.085 -17.641 -12.659 1.00 60.05 C ATOM 1418 CE2 PHE A 83 10.721 -19.231 -11.508 1.00 74.24 C ATOM 1419 CZ PHE A 83 11.132 -18.640 -12.687 1.00 70.20 C ATOM 0 H PHE A 83 11.189 -15.304 -10.044 1.00 42.44 H new ATOM 0 HA PHE A 83 12.923 -15.647 -7.680 1.00 44.24 H new ATOM 0 HB2 PHE A 83 13.849 -17.684 -8.909 1.00 34.40 H new ATOM 0 HB3 PHE A 83 12.286 -17.882 -8.141 1.00 34.40 H new ATOM 0 HD1 PHE A 83 13.367 -16.452 -11.437 1.00 34.43 H new ATOM 0 HD2 PHE A 83 10.933 -19.284 -9.387 1.00 23.13 H new ATOM 0 HE1 PHE A 83 12.410 -17.178 -13.579 1.00 60.05 H new ATOM 0 HE2 PHE A 83 9.978 -20.014 -11.527 1.00 74.24 H new ATOM 0 HZ PHE A 83 10.709 -18.958 -13.628 1.00 70.20 H new ATOM 1429 N PHE A 84 15.026 -15.587 -9.444 1.00 71.40 N ATOM 1430 CA PHE A 84 16.125 -14.995 -10.197 1.00 25.32 C ATOM 1431 C PHE A 84 17.244 -16.010 -10.415 1.00 1.04 C ATOM 1432 O PHE A 84 17.220 -17.106 -9.854 1.00 74.24 O ATOM 1433 CB PHE A 84 16.671 -13.768 -9.464 1.00 14.22 C ATOM 1434 CG PHE A 84 17.223 -14.079 -8.102 1.00 71.02 C ATOM 1435 CD1 PHE A 84 18.300 -14.939 -7.957 1.00 14.14 C ATOM 1436 CD2 PHE A 84 16.665 -13.512 -6.968 1.00 30.14 C ATOM 1437 CE1 PHE A 84 18.811 -15.227 -6.705 1.00 75.11 C ATOM 1438 CE2 PHE A 84 17.172 -13.796 -5.714 1.00 31.23 C ATOM 1439 CZ PHE A 84 18.245 -14.656 -5.582 1.00 41.31 C ATOM 0 H PHE A 84 15.302 -16.345 -8.820 1.00 71.40 H new ATOM 0 HA PHE A 84 15.742 -14.688 -11.170 1.00 25.32 H new ATOM 0 HB2 PHE A 84 17.455 -13.312 -10.069 1.00 14.22 H new ATOM 0 HB3 PHE A 84 15.875 -13.030 -9.365 1.00 14.22 H new ATOM 0 HD1 PHE A 84 18.745 -15.389 -8.832 1.00 14.14 H new ATOM 0 HD2 PHE A 84 15.825 -12.841 -7.065 1.00 30.14 H new ATOM 0 HE1 PHE A 84 19.652 -15.898 -6.605 1.00 75.11 H new ATOM 0 HE2 PHE A 84 16.730 -13.346 -4.838 1.00 31.23 H new ATOM 0 HZ PHE A 84 18.640 -14.881 -4.603 1.00 41.31 H new ATOM 1449 N ILE A 85 18.223 -15.636 -11.232 1.00 75.43 N ATOM 1450 CA ILE A 85 19.350 -16.513 -11.524 1.00 1.20 C ATOM 1451 C ILE A 85 20.623 -16.014 -10.849 1.00 2.11 C ATOM 1452 O ILE A 85 20.855 -14.809 -10.754 1.00 23.30 O ATOM 1453 CB ILE A 85 19.597 -16.627 -13.040 1.00 1.22 C ATOM 1454 CG1 ILE A 85 19.963 -15.261 -13.623 1.00 42.52 C ATOM 1455 CG2 ILE A 85 18.369 -17.194 -13.735 1.00 54.15 C ATOM 1456 CD1 ILE A 85 20.349 -15.311 -15.085 1.00 24.32 C ATOM 0 H ILE A 85 18.258 -14.732 -11.703 1.00 75.43 H new ATOM 0 HA ILE A 85 19.094 -17.497 -11.131 1.00 1.20 H new ATOM 0 HB ILE A 85 20.432 -17.308 -13.207 1.00 1.22 H new ATOM 0 HG12 ILE A 85 19.117 -14.585 -13.502 1.00 42.52 H new ATOM 0 HG13 ILE A 85 20.791 -14.841 -13.051 1.00 42.52 H new ATOM 0 HG21 ILE A 85 18.559 -17.269 -14.806 1.00 54.15 H new ATOM 0 HG22 ILE A 85 18.150 -18.184 -13.336 1.00 54.15 H new ATOM 0 HG23 ILE A 85 17.517 -16.536 -13.563 1.00 54.15 H new ATOM 0 HD11 ILE A 85 20.596 -14.307 -15.431 1.00 24.32 H new ATOM 0 HD12 ILE A 85 21.215 -15.961 -15.211 1.00 24.32 H new ATOM 0 HD13 ILE A 85 19.515 -15.701 -15.668 1.00 24.32 H new ATOM 1468 N GLU A 86 21.445 -16.949 -10.383 1.00 62.22 N ATOM 1469 CA GLU A 86 22.696 -16.603 -9.718 1.00 32.52 C ATOM 1470 C GLU A 86 23.575 -15.746 -10.623 1.00 52.53 C ATOM 1471 O GLU A 86 24.411 -14.976 -10.149 1.00 12.31 O ATOM 1472 CB GLU A 86 23.449 -17.871 -9.309 1.00 63.15 C ATOM 1473 CG GLU A 86 24.726 -17.597 -8.532 1.00 51.44 C ATOM 1474 CD GLU A 86 24.764 -18.318 -7.199 1.00 71.23 C ATOM 1475 OE1 GLU A 86 24.075 -17.868 -6.260 1.00 43.52 O ATOM 1476 OE2 GLU A 86 25.483 -19.334 -7.096 1.00 33.33 O ATOM 0 H GLU A 86 21.267 -17.951 -10.454 1.00 62.22 H new ATOM 0 HA GLU A 86 22.455 -16.027 -8.824 1.00 32.52 H new ATOM 0 HB2 GLU A 86 22.792 -18.494 -8.703 1.00 63.15 H new ATOM 0 HB3 GLU A 86 23.694 -18.443 -10.204 1.00 63.15 H new ATOM 0 HG2 GLU A 86 25.584 -17.903 -9.131 1.00 51.44 H new ATOM 0 HG3 GLU A 86 24.821 -16.524 -8.363 1.00 51.44 H new ATOM 1483 N THR A 87 23.380 -15.884 -11.931 1.00 61.11 N ATOM 1484 CA THR A 87 24.155 -15.124 -12.904 1.00 30.31 C ATOM 1485 C THR A 87 23.702 -13.669 -12.952 1.00 23.41 C ATOM 1486 O THR A 87 24.334 -12.834 -13.599 1.00 53.03 O ATOM 1487 CB THR A 87 24.038 -15.733 -14.314 1.00 64.10 C ATOM 1488 OG1 THR A 87 23.256 -16.931 -14.267 1.00 75.21 O ATOM 1489 CG2 THR A 87 25.414 -16.042 -14.885 1.00 71.15 C ATOM 0 H THR A 87 22.692 -16.515 -12.341 1.00 61.11 H new ATOM 0 HA THR A 87 25.196 -15.167 -12.583 1.00 30.31 H new ATOM 0 HB THR A 87 23.548 -15.005 -14.961 1.00 64.10 H new ATOM 0 HG1 THR A 87 23.185 -17.311 -15.168 1.00 75.21 H new ATOM 0 HG21 THR A 87 25.307 -16.471 -15.881 1.00 71.15 H new ATOM 0 HG22 THR A 87 25.997 -15.123 -14.947 1.00 71.15 H new ATOM 0 HG23 THR A 87 25.926 -16.753 -14.237 1.00 71.15 H new ATOM 1497 N ASP A 88 22.606 -13.373 -12.263 1.00 1.13 N ATOM 1498 CA ASP A 88 22.070 -12.017 -12.225 1.00 73.33 C ATOM 1499 C ASP A 88 22.203 -11.419 -10.829 1.00 0.54 C ATOM 1500 O ASP A 88 21.854 -10.259 -10.604 1.00 21.20 O ATOM 1501 CB ASP A 88 20.602 -12.014 -12.657 1.00 65.51 C ATOM 1502 CG ASP A 88 20.158 -10.666 -13.188 1.00 13.23 C ATOM 1503 OD1 ASP A 88 20.050 -9.717 -12.382 1.00 43.05 O ATOM 1504 OD2 ASP A 88 19.918 -10.559 -14.408 1.00 50.34 O ATOM 0 H ASP A 88 22.071 -14.053 -11.723 1.00 1.13 H new ATOM 0 HA ASP A 88 22.647 -11.405 -12.919 1.00 73.33 H new ATOM 0 HB2 ASP A 88 20.451 -12.772 -13.426 1.00 65.51 H new ATOM 0 HB3 ASP A 88 19.976 -12.291 -11.809 1.00 65.51 H new ATOM 1509 N ILE A 89 22.709 -12.216 -9.894 1.00 74.41 N ATOM 1510 CA ILE A 89 22.888 -11.765 -8.520 1.00 15.21 C ATOM 1511 C ILE A 89 24.340 -11.911 -8.078 1.00 34.32 C ATOM 1512 O ILE A 89 24.721 -11.449 -7.002 1.00 63.15 O ATOM 1513 CB ILE A 89 21.985 -12.548 -7.548 1.00 2.11 C ATOM 1514 CG1 ILE A 89 20.533 -12.516 -8.028 1.00 71.22 C ATOM 1515 CG2 ILE A 89 22.097 -11.975 -6.143 1.00 51.41 C ATOM 1516 CD1 ILE A 89 19.963 -11.119 -8.139 1.00 23.33 C ATOM 0 H ILE A 89 23.002 -13.178 -10.063 1.00 74.41 H new ATOM 0 HA ILE A 89 22.608 -10.712 -8.495 1.00 15.21 H new ATOM 0 HB ILE A 89 22.317 -13.586 -7.524 1.00 2.11 H new ATOM 0 HG12 ILE A 89 20.470 -13.004 -9.001 1.00 71.22 H new ATOM 0 HG13 ILE A 89 19.919 -13.097 -7.340 1.00 71.22 H new ATOM 0 HG21 ILE A 89 21.453 -12.539 -5.468 1.00 51.41 H new ATOM 0 HG22 ILE A 89 23.130 -12.045 -5.803 1.00 51.41 H new ATOM 0 HG23 ILE A 89 21.788 -10.930 -6.151 1.00 51.41 H new ATOM 0 HD11 ILE A 89 18.931 -11.174 -8.485 1.00 23.33 H new ATOM 0 HD12 ILE A 89 19.994 -10.635 -7.163 1.00 23.33 H new ATOM 0 HD13 ILE A 89 20.553 -10.541 -8.850 1.00 23.33 H new ATOM 1528 N ARG A 90 25.145 -12.556 -8.915 1.00 42.04 N ATOM 1529 CA ARG A 90 26.556 -12.763 -8.611 1.00 50.14 C ATOM 1530 C ARG A 90 27.391 -11.568 -9.064 1.00 74.42 C ATOM 1531 O ARG A 90 28.048 -10.901 -8.266 1.00 10.35 O ATOM 1532 CB ARG A 90 27.063 -14.038 -9.287 1.00 24.44 C ATOM 1533 CG ARG A 90 28.541 -13.994 -9.640 1.00 21.12 C ATOM 1534 CD ARG A 90 29.068 -15.373 -10.005 1.00 22.03 C ATOM 1535 NE ARG A 90 30.308 -15.299 -10.773 1.00 72.34 N ATOM 1536 CZ ARG A 90 30.348 -15.096 -12.085 1.00 52.44 C ATOM 1537 NH1 ARG A 90 29.223 -14.946 -12.771 1.00 50.31 N ATOM 1538 NH2 ARG A 90 31.515 -15.041 -12.714 1.00 60.13 N ATOM 0 H ARG A 90 24.845 -12.944 -9.809 1.00 42.04 H new ATOM 0 HA ARG A 90 26.658 -12.867 -7.531 1.00 50.14 H new ATOM 0 HB2 ARG A 90 26.881 -14.886 -8.627 1.00 24.44 H new ATOM 0 HB3 ARG A 90 26.486 -14.211 -10.195 1.00 24.44 H new ATOM 0 HG2 ARG A 90 28.697 -13.311 -10.475 1.00 21.12 H new ATOM 0 HG3 ARG A 90 29.106 -13.599 -8.796 1.00 21.12 H new ATOM 0 HD2 ARG A 90 29.239 -15.948 -9.095 1.00 22.03 H new ATOM 0 HD3 ARG A 90 28.315 -15.908 -10.583 1.00 22.03 H new ATOM 0 HE ARG A 90 31.191 -15.409 -10.275 1.00 72.34 H new ATOM 0 HH11 ARG A 90 28.324 -14.986 -12.291 1.00 50.31 H new ATOM 0 HH12 ARG A 90 29.257 -14.790 -13.778 1.00 50.31 H new ATOM 0 HH21 ARG A 90 32.383 -15.155 -12.190 1.00 60.13 H new ATOM 0 HH22 ARG A 90 31.544 -14.885 -13.722 1.00 60.13 H new ATOM 1552 N PRO A 91 27.365 -11.292 -10.376 1.00 43.14 N ATOM 1553 CA PRO A 91 28.114 -10.177 -10.965 1.00 72.41 C ATOM 1554 C PRO A 91 27.541 -8.821 -10.569 1.00 4.15 C ATOM 1555 O PRO A 91 27.751 -7.823 -11.257 1.00 43.03 O ATOM 1556 CB PRO A 91 27.960 -10.403 -12.471 1.00 71.13 C ATOM 1557 CG PRO A 91 26.695 -11.178 -12.611 1.00 0.31 C ATOM 1558 CD PRO A 91 26.604 -12.046 -11.386 1.00 54.44 C ATOM 0 HA PRO A 91 29.150 -10.158 -10.627 1.00 72.41 H new ATOM 0 HB2 PRO A 91 27.906 -9.457 -13.010 1.00 71.13 H new ATOM 0 HB3 PRO A 91 28.808 -10.953 -12.877 1.00 71.13 H new ATOM 0 HG2 PRO A 91 25.835 -10.512 -12.682 1.00 0.31 H new ATOM 0 HG3 PRO A 91 26.706 -11.783 -13.518 1.00 0.31 H new ATOM 0 HD2 PRO A 91 25.570 -12.199 -11.078 1.00 54.44 H new ATOM 0 HD3 PRO A 91 27.034 -13.032 -11.560 1.00 54.44 H new ATOM 1566 N MET A 92 26.818 -8.792 -9.454 1.00 70.01 N ATOM 1567 CA MET A 92 26.217 -7.556 -8.965 1.00 72.55 C ATOM 1568 C MET A 92 26.687 -7.247 -7.548 1.00 12.23 C ATOM 1569 O MET A 92 26.716 -6.088 -7.132 1.00 2.31 O ATOM 1570 CB MET A 92 24.691 -7.659 -8.998 1.00 53.14 C ATOM 1571 CG MET A 92 24.108 -8.430 -7.825 1.00 51.30 C ATOM 1572 SD MET A 92 22.342 -8.137 -7.610 1.00 53.11 S ATOM 1573 CE MET A 92 22.319 -6.361 -7.376 1.00 30.45 C ATOM 0 H MET A 92 26.634 -9.610 -8.872 1.00 70.01 H new ATOM 0 HA MET A 92 26.533 -6.743 -9.619 1.00 72.55 H new ATOM 0 HB2 MET A 92 24.267 -6.655 -9.008 1.00 53.14 H new ATOM 0 HB3 MET A 92 24.388 -8.143 -9.927 1.00 53.14 H new ATOM 0 HG2 MET A 92 24.280 -9.496 -7.974 1.00 51.30 H new ATOM 0 HG3 MET A 92 24.633 -8.147 -6.913 1.00 51.30 H new ATOM 0 HE1 MET A 92 21.584 -6.104 -6.613 1.00 30.45 H new ATOM 0 HE2 MET A 92 23.305 -6.023 -7.058 1.00 30.45 H new ATOM 0 HE3 MET A 92 22.054 -5.874 -8.314 1.00 30.45 H new ATOM 1583 N LEU A 93 27.053 -8.289 -6.810 1.00 2.11 N ATOM 1584 CA LEU A 93 27.522 -8.128 -5.438 1.00 11.11 C ATOM 1585 C LEU A 93 28.858 -7.393 -5.402 1.00 21.25 C ATOM 1586 O LEU A 93 29.011 -6.334 -6.010 1.00 21.43 O ATOM 1587 CB LEU A 93 27.659 -9.493 -4.761 1.00 70.15 C ATOM 1588 CG LEU A 93 26.444 -10.416 -4.860 1.00 60.24 C ATOM 1589 CD1 LEU A 93 26.884 -11.855 -5.083 1.00 55.13 C ATOM 1590 CD2 LEU A 93 25.587 -10.306 -3.608 1.00 23.35 C ATOM 0 H LEU A 93 27.034 -9.254 -7.139 1.00 2.11 H new ATOM 0 HA LEU A 93 26.787 -7.533 -4.896 1.00 11.11 H new ATOM 0 HB2 LEU A 93 28.517 -10.007 -5.195 1.00 70.15 H new ATOM 0 HB3 LEU A 93 27.883 -9.332 -3.706 1.00 70.15 H new ATOM 0 HG LEU A 93 25.844 -10.105 -5.715 1.00 60.24 H new ATOM 0 HD11 LEU A 93 26.006 -12.498 -5.151 1.00 55.13 H new ATOM 0 HD12 LEU A 93 27.455 -11.922 -6.009 1.00 55.13 H new ATOM 0 HD13 LEU A 93 27.507 -12.178 -4.249 1.00 55.13 H new ATOM 0 HD21 LEU A 93 24.727 -10.970 -3.696 1.00 23.35 H new ATOM 0 HD22 LEU A 93 26.177 -10.591 -2.737 1.00 23.35 H new ATOM 0 HD23 LEU A 93 25.242 -9.279 -3.492 1.00 23.35 H new ATOM 1602 N GLN A 94 29.822 -7.964 -4.686 1.00 41.13 N ATOM 1603 CA GLN A 94 31.146 -7.363 -4.573 1.00 31.34 C ATOM 1604 C GLN A 94 32.201 -8.242 -5.235 1.00 64.51 C ATOM 1605 O GLN A 94 32.007 -9.447 -5.397 1.00 70.33 O ATOM 1606 CB GLN A 94 31.502 -7.138 -3.102 1.00 63.22 C ATOM 1607 CG GLN A 94 30.748 -5.983 -2.463 1.00 62.13 C ATOM 1608 CD GLN A 94 29.270 -6.273 -2.296 1.00 54.34 C ATOM 1609 OE1 GLN A 94 28.859 -7.429 -2.198 1.00 30.40 O ATOM 1610 NE2 GLN A 94 28.460 -5.221 -2.263 1.00 40.34 N ATOM 0 H GLN A 94 29.711 -8.841 -4.176 1.00 41.13 H new ATOM 0 HA GLN A 94 31.127 -6.402 -5.087 1.00 31.34 H new ATOM 0 HB2 GLN A 94 31.294 -8.050 -2.543 1.00 63.22 H new ATOM 0 HB3 GLN A 94 32.573 -6.951 -3.020 1.00 63.22 H new ATOM 0 HG2 GLN A 94 31.184 -5.764 -1.488 1.00 62.13 H new ATOM 0 HG3 GLN A 94 30.872 -5.090 -3.075 1.00 62.13 H new ATOM 0 HE21 GLN A 94 28.843 -4.279 -2.348 1.00 40.34 H new ATOM 0 HE22 GLN A 94 27.455 -5.355 -2.153 1.00 40.34 H new ATOM 1619 N ASP A 95 33.318 -7.632 -5.616 1.00 61.21 N ATOM 1620 CA ASP A 95 34.405 -8.360 -6.261 1.00 2.33 C ATOM 1621 C ASP A 95 35.216 -9.146 -5.235 1.00 44.52 C ATOM 1622 O ASP A 95 35.914 -10.099 -5.580 1.00 60.41 O ATOM 1623 CB ASP A 95 35.317 -7.392 -7.017 1.00 73.23 C ATOM 1624 CG ASP A 95 34.659 -6.831 -8.263 1.00 31.04 C ATOM 1625 OD1 ASP A 95 33.886 -5.859 -8.138 1.00 15.22 O ATOM 1626 OD2 ASP A 95 34.917 -7.365 -9.362 1.00 52.21 O ATOM 0 H ASP A 95 33.495 -6.635 -5.489 1.00 61.21 H new ATOM 0 HA ASP A 95 33.968 -9.064 -6.969 1.00 2.33 H new ATOM 0 HB2 ASP A 95 35.598 -6.571 -6.357 1.00 73.23 H new ATOM 0 HB3 ASP A 95 36.237 -7.906 -7.295 1.00 73.23 H new ATOM 1631 N ARG A 96 35.120 -8.738 -3.974 1.00 44.40 N ATOM 1632 CA ARG A 96 35.847 -9.402 -2.899 1.00 11.13 C ATOM 1633 C ARG A 96 34.936 -10.361 -2.138 1.00 54.23 C ATOM 1634 O ARG A 96 35.394 -11.134 -1.296 1.00 63.35 O ATOM 1635 CB ARG A 96 36.434 -8.368 -1.936 1.00 51.12 C ATOM 1636 CG ARG A 96 35.423 -7.339 -1.458 1.00 1.44 C ATOM 1637 CD ARG A 96 35.929 -6.587 -0.236 1.00 71.03 C ATOM 1638 NE ARG A 96 36.075 -5.157 -0.495 1.00 63.22 N ATOM 1639 CZ ARG A 96 37.120 -4.627 -1.122 1.00 12.15 C ATOM 1640 NH1 ARG A 96 38.104 -5.404 -1.551 1.00 62.40 N ATOM 1641 NH2 ARG A 96 37.181 -3.316 -1.320 1.00 31.32 N ATOM 0 H ARG A 96 34.546 -7.951 -3.672 1.00 44.40 H new ATOM 0 HA ARG A 96 36.660 -9.976 -3.345 1.00 11.13 H new ATOM 0 HB2 ARG A 96 36.851 -8.885 -1.071 1.00 51.12 H new ATOM 0 HB3 ARG A 96 37.259 -7.853 -2.428 1.00 51.12 H new ATOM 0 HG2 ARG A 96 35.214 -6.632 -2.261 1.00 1.44 H new ATOM 0 HG3 ARG A 96 34.483 -7.835 -1.218 1.00 1.44 H new ATOM 0 HD2 ARG A 96 35.238 -6.736 0.593 1.00 71.03 H new ATOM 0 HD3 ARG A 96 36.890 -7.000 0.071 1.00 71.03 H new ATOM 0 HE ARG A 96 35.335 -4.531 -0.177 1.00 63.22 H new ATOM 0 HH11 ARG A 96 38.061 -6.412 -1.400 1.00 62.40 H new ATOM 0 HH12 ARG A 96 38.905 -4.994 -2.032 1.00 62.40 H new ATOM 0 HH21 ARG A 96 36.426 -2.715 -0.991 1.00 31.32 H new ATOM 0 HH22 ARG A 96 37.983 -2.910 -1.801 1.00 31.32 H new ATOM 1655 N LEU A 97 33.643 -10.304 -2.440 1.00 20.43 N ATOM 1656 CA LEU A 97 32.666 -11.167 -1.784 1.00 62.45 C ATOM 1657 C LEU A 97 32.909 -12.631 -2.138 1.00 61.20 C ATOM 1658 O LEU A 97 32.639 -13.526 -1.337 1.00 60.43 O ATOM 1659 CB LEU A 97 31.247 -10.762 -2.187 1.00 62.22 C ATOM 1660 CG LEU A 97 30.122 -11.667 -1.683 1.00 3.10 C ATOM 1661 CD1 LEU A 97 30.243 -11.882 -0.182 1.00 73.54 C ATOM 1662 CD2 LEU A 97 28.765 -11.074 -2.031 1.00 73.44 C ATOM 0 H LEU A 97 33.247 -9.670 -3.134 1.00 20.43 H new ATOM 0 HA LEU A 97 32.779 -11.049 -0.706 1.00 62.45 H new ATOM 0 HB2 LEU A 97 31.063 -9.751 -1.825 1.00 62.22 H new ATOM 0 HB3 LEU A 97 31.196 -10.725 -3.275 1.00 62.22 H new ATOM 0 HG LEU A 97 30.211 -12.635 -2.176 1.00 3.10 H new ATOM 0 HD11 LEU A 97 29.434 -12.528 0.159 1.00 73.54 H new ATOM 0 HD12 LEU A 97 31.201 -12.350 0.042 1.00 73.54 H new ATOM 0 HD13 LEU A 97 30.180 -10.921 0.329 1.00 73.54 H new ATOM 0 HD21 LEU A 97 27.976 -11.731 -1.665 1.00 73.44 H new ATOM 0 HD22 LEU A 97 28.666 -10.094 -1.565 1.00 73.44 H new ATOM 0 HD23 LEU A 97 28.679 -10.972 -3.113 1.00 73.44 H new ATOM 1674 N ARG A 98 33.422 -12.867 -3.341 1.00 42.31 N ATOM 1675 CA ARG A 98 33.703 -14.222 -3.800 1.00 54.32 C ATOM 1676 C ARG A 98 32.423 -15.051 -3.862 1.00 11.43 C ATOM 1677 O ARG A 98 31.401 -14.705 -3.268 1.00 40.14 O ATOM 1678 CB ARG A 98 34.716 -14.897 -2.875 1.00 24.02 C ATOM 1679 CG ARG A 98 36.110 -15.003 -3.472 1.00 1.21 C ATOM 1680 CD ARG A 98 36.797 -16.295 -3.059 1.00 35.32 C ATOM 1681 NE ARG A 98 38.180 -16.354 -3.524 1.00 55.44 N ATOM 1682 CZ ARG A 98 39.171 -15.666 -2.969 1.00 64.23 C ATOM 1683 NH1 ARG A 98 38.934 -14.873 -1.934 1.00 4.03 N ATOM 1684 NH2 ARG A 98 40.404 -15.772 -3.450 1.00 32.02 N ATOM 0 H ARG A 98 33.652 -12.137 -4.016 1.00 42.31 H new ATOM 0 HA ARG A 98 34.124 -14.159 -4.803 1.00 54.32 H new ATOM 0 HB2 ARG A 98 34.772 -14.338 -1.941 1.00 24.02 H new ATOM 0 HB3 ARG A 98 34.359 -15.897 -2.627 1.00 24.02 H new ATOM 0 HG2 ARG A 98 36.046 -14.955 -4.559 1.00 1.21 H new ATOM 0 HG3 ARG A 98 36.710 -14.152 -3.151 1.00 1.21 H new ATOM 0 HD2 ARG A 98 36.776 -16.385 -1.973 1.00 35.32 H new ATOM 0 HD3 ARG A 98 36.243 -17.144 -3.460 1.00 35.32 H new ATOM 0 HE ARG A 98 38.397 -16.956 -4.318 1.00 55.44 H new ATOM 0 HH11 ARG A 98 37.988 -14.790 -1.561 1.00 4.03 H new ATOM 0 HH12 ARG A 98 39.697 -14.346 -1.510 1.00 4.03 H new ATOM 0 HH21 ARG A 98 40.590 -16.382 -4.246 1.00 32.02 H new ATOM 0 HH22 ARG A 98 41.165 -15.243 -3.024 1.00 32.02 H new ATOM 1698 N PRO A 99 32.478 -16.171 -4.597 1.00 22.11 N ATOM 1699 CA PRO A 99 31.333 -17.072 -4.754 1.00 33.44 C ATOM 1700 C PRO A 99 31.001 -17.817 -3.465 1.00 73.32 C ATOM 1701 O PRO A 99 31.217 -19.025 -3.362 1.00 15.21 O ATOM 1702 CB PRO A 99 31.798 -18.053 -5.833 1.00 53.44 C ATOM 1703 CG PRO A 99 33.285 -18.041 -5.740 1.00 75.43 C ATOM 1704 CD PRO A 99 33.663 -16.645 -5.331 1.00 43.25 C ATOM 0 HA PRO A 99 30.422 -16.532 -5.014 1.00 33.44 H new ATOM 0 HB2 PRO A 99 31.398 -19.052 -5.659 1.00 53.44 H new ATOM 0 HB3 PRO A 99 31.461 -17.743 -6.822 1.00 53.44 H new ATOM 0 HG2 PRO A 99 33.636 -18.770 -5.010 1.00 75.43 H new ATOM 0 HG3 PRO A 99 33.738 -18.304 -6.696 1.00 75.43 H new ATOM 0 HD2 PRO A 99 34.554 -16.638 -4.703 1.00 43.25 H new ATOM 0 HD3 PRO A 99 33.877 -16.017 -6.196 1.00 43.25 H new ATOM 1712 N SER A 100 30.474 -17.090 -2.485 1.00 43.22 N ATOM 1713 CA SER A 100 30.116 -17.682 -1.202 1.00 15.33 C ATOM 1714 C SER A 100 28.645 -18.087 -1.183 1.00 32.04 C ATOM 1715 O SER A 100 28.212 -18.857 -0.325 1.00 22.11 O ATOM 1716 CB SER A 100 30.400 -16.698 -0.065 1.00 51.11 C ATOM 1717 OG SER A 100 31.748 -16.261 -0.094 1.00 73.01 O ATOM 0 H SER A 100 30.286 -16.090 -2.555 1.00 43.22 H new ATOM 0 HA SER A 100 30.724 -18.576 -1.060 1.00 15.33 H new ATOM 0 HB2 SER A 100 29.734 -15.839 -0.148 1.00 51.11 H new ATOM 0 HB3 SER A 100 30.189 -17.173 0.893 1.00 51.11 H new ATOM 0 HG SER A 100 31.796 -15.377 -0.513 1.00 73.01 H new ATOM 1723 N PHE A 101 27.881 -17.563 -2.135 1.00 13.50 N ATOM 1724 CA PHE A 101 26.458 -17.868 -2.228 1.00 52.13 C ATOM 1725 C PHE A 101 26.222 -19.375 -2.205 1.00 24.43 C ATOM 1726 O PHE A 101 25.446 -19.880 -1.394 1.00 62.53 O ATOM 1727 CB PHE A 101 25.869 -17.268 -3.507 1.00 34.33 C ATOM 1728 CG PHE A 101 24.458 -16.780 -3.345 1.00 14.43 C ATOM 1729 CD1 PHE A 101 23.542 -17.502 -2.596 1.00 50.33 C ATOM 1730 CD2 PHE A 101 24.047 -15.598 -3.940 1.00 40.21 C ATOM 1731 CE1 PHE A 101 22.243 -17.055 -2.446 1.00 51.54 C ATOM 1732 CE2 PHE A 101 22.749 -15.145 -3.793 1.00 62.43 C ATOM 1733 CZ PHE A 101 21.846 -15.874 -3.044 1.00 63.35 C ATOM 0 H PHE A 101 28.223 -16.925 -2.853 1.00 13.50 H new ATOM 0 HA PHE A 101 25.960 -17.427 -1.365 1.00 52.13 H new ATOM 0 HB2 PHE A 101 26.497 -16.439 -3.832 1.00 34.33 H new ATOM 0 HB3 PHE A 101 25.897 -18.018 -4.297 1.00 34.33 H new ATOM 0 HD1 PHE A 101 23.847 -18.424 -2.124 1.00 50.33 H new ATOM 0 HD2 PHE A 101 24.749 -15.023 -4.526 1.00 40.21 H new ATOM 0 HE1 PHE A 101 21.538 -17.628 -1.862 1.00 51.54 H new ATOM 0 HE2 PHE A 101 22.442 -14.223 -4.263 1.00 62.43 H new ATOM 0 HZ PHE A 101 20.832 -15.522 -2.926 1.00 63.35 H new ATOM 1743 N ALA A 102 26.898 -20.088 -3.100 1.00 42.22 N ATOM 1744 CA ALA A 102 26.764 -21.537 -3.182 1.00 4.01 C ATOM 1745 C ALA A 102 27.008 -22.188 -1.825 1.00 20.13 C ATOM 1746 O ALA A 102 26.539 -23.296 -1.563 1.00 23.13 O ATOM 1747 CB ALA A 102 27.726 -22.098 -4.219 1.00 21.11 C ATOM 0 H ALA A 102 27.544 -19.685 -3.779 1.00 42.22 H new ATOM 0 HA ALA A 102 25.743 -21.766 -3.488 1.00 4.01 H new ATOM 0 HB1 ALA A 102 27.615 -23.181 -4.270 1.00 21.11 H new ATOM 0 HB2 ALA A 102 27.503 -21.664 -5.194 1.00 21.11 H new ATOM 0 HB3 ALA A 102 28.750 -21.851 -3.937 1.00 21.11 H new ATOM 1753 N LYS A 103 27.745 -21.494 -0.964 1.00 52.33 N ATOM 1754 CA LYS A 103 28.051 -22.003 0.367 1.00 20.41 C ATOM 1755 C LYS A 103 27.045 -21.488 1.392 1.00 43.14 C ATOM 1756 O LYS A 103 26.854 -22.093 2.446 1.00 74.23 O ATOM 1757 CB LYS A 103 29.468 -21.596 0.778 1.00 32.31 C ATOM 1758 CG LYS A 103 30.523 -22.634 0.435 1.00 55.02 C ATOM 1759 CD LYS A 103 30.829 -22.647 -1.053 1.00 55.25 C ATOM 1760 CE LYS A 103 31.760 -23.792 -1.421 1.00 53.01 C ATOM 1761 NZ LYS A 103 31.055 -25.104 -1.415 1.00 53.35 N ATOM 0 H LYS A 103 28.142 -20.576 -1.165 1.00 52.33 H new ATOM 0 HA LYS A 103 27.986 -23.091 0.336 1.00 20.41 H new ATOM 0 HB2 LYS A 103 29.723 -20.656 0.289 1.00 32.31 H new ATOM 0 HB3 LYS A 103 29.487 -21.412 1.852 1.00 32.31 H new ATOM 0 HG2 LYS A 103 31.436 -22.425 0.993 1.00 55.02 H new ATOM 0 HG3 LYS A 103 30.179 -23.621 0.745 1.00 55.02 H new ATOM 0 HD2 LYS A 103 29.900 -22.737 -1.616 1.00 55.25 H new ATOM 0 HD3 LYS A 103 31.285 -21.699 -1.340 1.00 55.25 H new ATOM 0 HE2 LYS A 103 32.184 -23.612 -2.409 1.00 53.01 H new ATOM 0 HE3 LYS A 103 32.592 -23.824 -0.718 1.00 53.01 H new ATOM 0 HZ1 LYS A 103 31.695 -25.844 -1.768 1.00 53.35 H new ATOM 0 HZ2 LYS A 103 30.760 -25.335 -0.445 1.00 53.35 H new ATOM 0 HZ3 LYS A 103 30.216 -25.050 -2.028 1.00 53.35 H new ATOM 1775 N ALA A 104 26.405 -20.368 1.074 1.00 51.44 N ATOM 1776 CA ALA A 104 25.416 -19.773 1.965 1.00 64.50 C ATOM 1777 C ALA A 104 24.014 -20.279 1.645 1.00 70.34 C ATOM 1778 O ALA A 104 23.067 -20.024 2.389 1.00 51.31 O ATOM 1779 CB ALA A 104 25.466 -18.256 1.872 1.00 43.35 C ATOM 0 H ALA A 104 26.554 -19.854 0.206 1.00 51.44 H new ATOM 0 HA ALA A 104 25.657 -20.071 2.985 1.00 64.50 H new ATOM 0 HB1 ALA A 104 24.722 -17.826 2.543 1.00 43.35 H new ATOM 0 HB2 ALA A 104 26.458 -17.906 2.158 1.00 43.35 H new ATOM 0 HB3 ALA A 104 25.254 -17.947 0.849 1.00 43.35 H new ATOM 1785 N ILE A 105 23.888 -20.997 0.533 1.00 4.33 N ATOM 1786 CA ILE A 105 22.601 -21.538 0.116 1.00 61.23 C ATOM 1787 C ILE A 105 21.911 -22.263 1.266 1.00 74.53 C ATOM 1788 O ILE A 105 20.745 -22.017 1.578 1.00 44.24 O ATOM 1789 CB ILE A 105 22.757 -22.510 -1.069 1.00 53.43 C ATOM 1790 CG1 ILE A 105 23.091 -21.739 -2.348 1.00 40.02 C ATOM 1791 CG2 ILE A 105 21.487 -23.328 -1.254 1.00 4.42 C ATOM 1792 CD1 ILE A 105 22.196 -20.543 -2.584 1.00 75.05 C ATOM 0 H ILE A 105 24.662 -21.217 -0.094 1.00 4.33 H new ATOM 0 HA ILE A 105 21.989 -20.692 -0.196 1.00 61.23 H new ATOM 0 HB ILE A 105 23.578 -23.194 -0.854 1.00 53.43 H new ATOM 0 HG12 ILE A 105 24.127 -21.403 -2.300 1.00 40.02 H new ATOM 0 HG13 ILE A 105 23.014 -22.414 -3.200 1.00 40.02 H new ATOM 0 HG21 ILE A 105 21.613 -24.010 -2.095 1.00 4.42 H new ATOM 0 HG22 ILE A 105 21.288 -23.901 -0.348 1.00 4.42 H new ATOM 0 HG23 ILE A 105 20.649 -22.659 -1.451 1.00 4.42 H new ATOM 0 HD11 ILE A 105 22.490 -20.045 -3.508 1.00 75.05 H new ATOM 0 HD12 ILE A 105 21.160 -20.874 -2.664 1.00 75.05 H new ATOM 0 HD13 ILE A 105 22.291 -19.847 -1.750 1.00 75.05 H new ATOM 1804 N PRO A 106 22.645 -23.179 1.914 1.00 65.31 N ATOM 1805 CA PRO A 106 22.125 -23.958 3.042 1.00 41.12 C ATOM 1806 C PRO A 106 21.913 -23.104 4.287 1.00 1.30 C ATOM 1807 O PRO A 106 20.994 -23.348 5.069 1.00 14.33 O ATOM 1808 CB PRO A 106 23.219 -25.000 3.288 1.00 31.00 C ATOM 1809 CG PRO A 106 24.464 -24.373 2.763 1.00 24.24 C ATOM 1810 CD PRO A 106 24.041 -23.525 1.596 1.00 1.01 C ATOM 0 HA PRO A 106 21.148 -24.389 2.824 1.00 41.12 H new ATOM 0 HB2 PRO A 106 23.311 -25.235 4.348 1.00 31.00 H new ATOM 0 HB3 PRO A 106 22.999 -25.935 2.772 1.00 31.00 H new ATOM 0 HG2 PRO A 106 24.949 -23.768 3.529 1.00 24.24 H new ATOM 0 HG3 PRO A 106 25.183 -25.132 2.454 1.00 24.24 H new ATOM 0 HD2 PRO A 106 24.663 -22.635 1.499 1.00 1.01 H new ATOM 0 HD3 PRO A 106 24.116 -24.070 0.655 1.00 1.01 H new ATOM 1818 N CYS A 107 22.768 -22.103 4.464 1.00 11.45 N ATOM 1819 CA CYS A 107 22.674 -21.212 5.616 1.00 51.02 C ATOM 1820 C CYS A 107 21.579 -20.170 5.409 1.00 20.45 C ATOM 1821 O CYS A 107 21.237 -19.423 6.327 1.00 21.21 O ATOM 1822 CB CYS A 107 24.015 -20.518 5.861 1.00 33.52 C ATOM 1823 SG CYS A 107 24.197 -18.939 5.001 1.00 41.24 S ATOM 0 H CYS A 107 23.534 -21.888 3.825 1.00 11.45 H new ATOM 0 HA CYS A 107 22.419 -21.813 6.489 1.00 51.02 H new ATOM 0 HB2 CYS A 107 24.136 -20.352 6.932 1.00 33.52 H new ATOM 0 HB3 CYS A 107 24.819 -21.184 5.549 1.00 33.52 H new ATOM 0 HG CYS A 107 23.721 -19.044 3.796 1.00 41.24 H new ATOM 1829 N LEU A 108 21.034 -20.125 4.199 1.00 13.01 N ATOM 1830 CA LEU A 108 19.978 -19.173 3.871 1.00 72.42 C ATOM 1831 C LEU A 108 18.610 -19.849 3.890 1.00 24.11 C ATOM 1832 O LEU A 108 17.593 -19.207 4.151 1.00 2.42 O ATOM 1833 CB LEU A 108 20.233 -18.552 2.496 1.00 21.34 C ATOM 1834 CG LEU A 108 20.744 -17.111 2.496 1.00 54.14 C ATOM 1835 CD1 LEU A 108 19.668 -16.163 3.004 1.00 22.51 C ATOM 1836 CD2 LEU A 108 22.005 -16.991 3.339 1.00 74.21 C ATOM 0 H LEU A 108 21.305 -20.736 3.429 1.00 13.01 H new ATOM 0 HA LEU A 108 19.985 -18.386 4.625 1.00 72.42 H new ATOM 0 HB2 LEU A 108 20.956 -19.173 1.967 1.00 21.34 H new ATOM 0 HB3 LEU A 108 19.305 -18.587 1.925 1.00 21.34 H new ATOM 0 HG LEU A 108 20.990 -16.833 1.471 1.00 54.14 H new ATOM 0 HD11 LEU A 108 20.050 -15.142 2.997 1.00 22.51 H new ATOM 0 HD12 LEU A 108 18.792 -16.227 2.358 1.00 22.51 H new ATOM 0 HD13 LEU A 108 19.390 -16.439 4.021 1.00 22.51 H new ATOM 0 HD21 LEU A 108 22.354 -15.958 3.327 1.00 74.21 H new ATOM 0 HD22 LEU A 108 21.787 -17.288 4.365 1.00 74.21 H new ATOM 0 HD23 LEU A 108 22.779 -17.640 2.930 1.00 74.21 H new ATOM 1848 N ARG A 109 18.595 -21.149 3.614 1.00 54.00 N ATOM 1849 CA ARG A 109 17.352 -21.912 3.601 1.00 64.14 C ATOM 1850 C ARG A 109 17.073 -22.520 4.972 1.00 61.10 C ATOM 1851 O ARG A 109 15.918 -22.675 5.370 1.00 22.44 O ATOM 1852 CB ARG A 109 17.419 -23.017 2.545 1.00 62.21 C ATOM 1853 CG ARG A 109 18.566 -23.992 2.756 1.00 61.25 C ATOM 1854 CD ARG A 109 18.677 -24.979 1.604 1.00 33.31 C ATOM 1855 NE ARG A 109 19.245 -26.256 2.030 1.00 14.40 N ATOM 1856 CZ ARG A 109 19.451 -27.279 1.208 1.00 3.34 C ATOM 1857 NH1 ARG A 109 19.139 -27.176 -0.076 1.00 14.51 N ATOM 1858 NH2 ARG A 109 19.972 -28.408 1.671 1.00 22.01 N ATOM 0 H ARG A 109 19.428 -21.696 3.397 1.00 54.00 H new ATOM 0 HA ARG A 109 16.539 -21.230 3.353 1.00 64.14 H new ATOM 0 HB2 ARG A 109 16.479 -23.569 2.548 1.00 62.21 H new ATOM 0 HB3 ARG A 109 17.517 -22.561 1.560 1.00 62.21 H new ATOM 0 HG2 ARG A 109 19.501 -23.440 2.855 1.00 61.25 H new ATOM 0 HG3 ARG A 109 18.416 -24.535 3.689 1.00 61.25 H new ATOM 0 HD2 ARG A 109 17.690 -25.147 1.174 1.00 33.31 H new ATOM 0 HD3 ARG A 109 19.298 -24.550 0.818 1.00 33.31 H new ATOM 0 HE ARG A 109 19.497 -26.368 3.012 1.00 14.40 H new ATOM 0 HH11 ARG A 109 18.739 -26.309 -0.436 1.00 14.51 H new ATOM 0 HH12 ARG A 109 19.299 -27.963 -0.704 1.00 14.51 H new ATOM 0 HH21 ARG A 109 20.214 -28.491 2.658 1.00 22.01 H new ATOM 0 HH22 ARG A 109 20.130 -29.193 1.040 1.00 22.01 H new ATOM 1872 N HIS A 110 18.138 -22.863 5.690 1.00 61.03 N ATOM 1873 CA HIS A 110 18.008 -23.454 7.017 1.00 73.23 C ATOM 1874 C HIS A 110 17.206 -22.543 7.941 1.00 3.42 C ATOM 1875 O HIS A 110 16.656 -22.992 8.947 1.00 54.03 O ATOM 1876 CB HIS A 110 19.388 -23.722 7.617 1.00 63.03 C ATOM 1877 CG HIS A 110 19.339 -24.308 8.994 1.00 22.02 C ATOM 1878 ND1 HIS A 110 19.969 -23.735 10.079 1.00 40.12 N ATOM 1879 CD2 HIS A 110 18.729 -25.422 9.461 1.00 31.30 C ATOM 1880 CE1 HIS A 110 19.750 -24.472 11.153 1.00 73.23 C ATOM 1881 NE2 HIS A 110 18.999 -25.502 10.805 1.00 62.00 N ATOM 0 H HIS A 110 19.101 -22.742 5.375 1.00 61.03 H new ATOM 0 HA HIS A 110 17.475 -24.399 6.916 1.00 73.23 H new ATOM 0 HB2 HIS A 110 19.934 -24.400 6.962 1.00 63.03 H new ATOM 0 HB3 HIS A 110 19.949 -22.788 7.648 1.00 63.03 H new ATOM 0 HD2 HIS A 110 18.139 -26.119 8.884 1.00 31.30 H new ATOM 0 HE1 HIS A 110 20.121 -24.268 12.146 1.00 73.23 H new ATOM 0 HE2 HIS A 110 18.673 -26.237 11.433 1.00 62.00 H new ATOM 1889 N ILE A 111 17.146 -21.261 7.594 1.00 24.43 N ATOM 1890 CA ILE A 111 16.412 -20.288 8.393 1.00 43.20 C ATOM 1891 C ILE A 111 15.012 -20.062 7.834 1.00 52.24 C ATOM 1892 O ILE A 111 14.167 -19.441 8.479 1.00 21.55 O ATOM 1893 CB ILE A 111 17.152 -18.938 8.455 1.00 30.32 C ATOM 1894 CG1 ILE A 111 17.317 -18.357 7.049 1.00 24.34 C ATOM 1895 CG2 ILE A 111 18.506 -19.107 9.127 1.00 24.22 C ATOM 1896 CD1 ILE A 111 18.103 -17.065 7.018 1.00 23.23 C ATOM 0 H ILE A 111 17.597 -20.873 6.765 1.00 24.43 H new ATOM 0 HA ILE A 111 16.337 -20.699 9.400 1.00 43.20 H new ATOM 0 HB ILE A 111 16.559 -18.242 9.048 1.00 30.32 H new ATOM 0 HG12 ILE A 111 17.816 -19.092 6.417 1.00 24.34 H new ATOM 0 HG13 ILE A 111 16.331 -18.183 6.618 1.00 24.34 H new ATOM 0 HG21 ILE A 111 19.017 -18.145 9.163 1.00 24.22 H new ATOM 0 HG22 ILE A 111 18.365 -19.481 10.141 1.00 24.22 H new ATOM 0 HG23 ILE A 111 19.108 -19.816 8.559 1.00 24.22 H new ATOM 0 HD11 ILE A 111 18.180 -16.711 5.990 1.00 23.23 H new ATOM 0 HD12 ILE A 111 17.594 -16.315 7.623 1.00 23.23 H new ATOM 0 HD13 ILE A 111 19.102 -17.237 7.419 1.00 23.23 H new ATOM 1908 N ARG A 112 14.772 -20.571 6.630 1.00 43.14 N ATOM 1909 CA ARG A 112 13.474 -20.425 5.983 1.00 33.31 C ATOM 1910 C ARG A 112 13.250 -18.985 5.531 1.00 71.22 C ATOM 1911 O ARG A 112 12.239 -18.368 5.867 1.00 30.53 O ATOM 1912 CB ARG A 112 12.355 -20.852 6.936 1.00 43.52 C ATOM 1913 CG ARG A 112 12.655 -22.136 7.692 1.00 44.44 C ATOM 1914 CD ARG A 112 12.808 -21.881 9.183 1.00 20.31 C ATOM 1915 NE ARG A 112 12.259 -22.973 9.983 1.00 2.24 N ATOM 1916 CZ ARG A 112 10.959 -23.215 10.102 1.00 75.44 C ATOM 1917 NH1 ARG A 112 10.078 -22.448 9.474 1.00 11.03 N ATOM 1918 NH2 ARG A 112 10.536 -24.228 10.848 1.00 4.23 N ATOM 0 H ARG A 112 15.460 -21.088 6.083 1.00 43.14 H new ATOM 0 HA ARG A 112 13.460 -21.069 5.104 1.00 33.31 H new ATOM 0 HB2 ARG A 112 12.175 -20.051 7.654 1.00 43.52 H new ATOM 0 HB3 ARG A 112 11.435 -20.982 6.367 1.00 43.52 H new ATOM 0 HG2 ARG A 112 11.852 -22.854 7.525 1.00 44.44 H new ATOM 0 HG3 ARG A 112 13.569 -22.584 7.303 1.00 44.44 H new ATOM 0 HD2 ARG A 112 13.863 -21.751 9.422 1.00 20.31 H new ATOM 0 HD3 ARG A 112 12.305 -20.950 9.445 1.00 20.31 H new ATOM 0 HE ARG A 112 12.910 -23.583 10.477 1.00 2.24 H new ATOM 0 HH11 ARG A 112 10.399 -21.670 8.898 1.00 11.03 H new ATOM 0 HH12 ARG A 112 9.080 -22.636 9.567 1.00 11.03 H new ATOM 0 HH21 ARG A 112 11.210 -24.822 11.331 1.00 4.23 H new ATOM 0 HH22 ARG A 112 9.537 -24.412 10.938 1.00 4.23 H new ATOM 1932 N ARG A 113 14.200 -18.456 4.767 1.00 1.10 N ATOM 1933 CA ARG A 113 14.108 -17.088 4.270 1.00 35.43 C ATOM 1934 C ARG A 113 14.053 -17.066 2.746 1.00 75.45 C ATOM 1935 O ARG A 113 13.470 -16.160 2.149 1.00 71.42 O ATOM 1936 CB ARG A 113 15.299 -16.263 4.760 1.00 21.52 C ATOM 1937 CG ARG A 113 15.371 -14.874 4.149 1.00 54.15 C ATOM 1938 CD ARG A 113 15.488 -13.800 5.218 1.00 11.44 C ATOM 1939 NE ARG A 113 14.376 -13.845 6.164 1.00 54.33 N ATOM 1940 CZ ARG A 113 14.121 -12.885 7.046 1.00 45.31 C ATOM 1941 NH1 ARG A 113 14.896 -11.810 7.103 1.00 23.30 N ATOM 1942 NH2 ARG A 113 13.090 -12.998 7.873 1.00 21.10 N ATOM 0 H ARG A 113 15.042 -18.954 4.479 1.00 1.10 H new ATOM 0 HA ARG A 113 13.188 -16.649 4.656 1.00 35.43 H new ATOM 0 HB2 ARG A 113 15.244 -16.171 5.845 1.00 21.52 H new ATOM 0 HB3 ARG A 113 16.220 -16.799 4.531 1.00 21.52 H new ATOM 0 HG2 ARG A 113 16.227 -14.815 3.477 1.00 54.15 H new ATOM 0 HG3 ARG A 113 14.481 -14.694 3.547 1.00 54.15 H new ATOM 0 HD2 ARG A 113 16.427 -13.926 5.757 1.00 11.44 H new ATOM 0 HD3 ARG A 113 15.521 -12.819 4.744 1.00 11.44 H new ATOM 0 HE ARG A 113 13.761 -14.659 6.146 1.00 54.33 H new ATOM 0 HH11 ARG A 113 15.690 -11.719 6.469 1.00 23.30 H new ATOM 0 HH12 ARG A 113 14.698 -11.074 7.781 1.00 23.30 H new ATOM 0 HH21 ARG A 113 12.492 -13.823 7.832 1.00 21.10 H new ATOM 0 HH22 ARG A 113 12.896 -12.260 8.550 1.00 21.10 H new ATOM 1956 N ILE A 114 14.663 -18.068 2.122 1.00 31.52 N ATOM 1957 CA ILE A 114 14.683 -18.164 0.668 1.00 53.12 C ATOM 1958 C ILE A 114 14.684 -19.619 0.212 1.00 34.24 C ATOM 1959 O ILE A 114 14.688 -20.537 1.033 1.00 73.01 O ATOM 1960 CB ILE A 114 15.912 -17.451 0.073 1.00 33.05 C ATOM 1961 CG1 ILE A 114 17.178 -18.271 0.331 1.00 52.43 C ATOM 1962 CG2 ILE A 114 16.050 -16.055 0.661 1.00 14.42 C ATOM 1963 CD1 ILE A 114 17.617 -19.094 -0.860 1.00 10.11 C ATOM 0 H ILE A 114 15.150 -18.825 2.601 1.00 31.52 H new ATOM 0 HA ILE A 114 13.779 -17.674 0.308 1.00 53.12 H new ATOM 0 HB ILE A 114 15.774 -17.358 -1.004 1.00 33.05 H new ATOM 0 HG12 ILE A 114 17.986 -17.597 0.615 1.00 52.43 H new ATOM 0 HG13 ILE A 114 17.005 -18.935 1.178 1.00 52.43 H new ATOM 0 HG21 ILE A 114 16.923 -15.564 0.231 1.00 14.42 H new ATOM 0 HG22 ILE A 114 15.157 -15.474 0.432 1.00 14.42 H new ATOM 0 HG23 ILE A 114 16.169 -16.126 1.742 1.00 14.42 H new ATOM 0 HD11 ILE A 114 18.520 -19.649 -0.606 1.00 10.11 H new ATOM 0 HD12 ILE A 114 16.826 -19.793 -1.131 1.00 10.11 H new ATOM 0 HD13 ILE A 114 17.822 -18.434 -1.703 1.00 10.11 H new ATOM 1975 N ARG A 115 14.681 -19.823 -1.101 1.00 4.50 N ATOM 1976 CA ARG A 115 14.683 -21.166 -1.666 1.00 73.51 C ATOM 1977 C ARG A 115 15.570 -21.234 -2.906 1.00 32.23 C ATOM 1978 O ARG A 115 16.019 -20.208 -3.415 1.00 70.24 O ATOM 1979 CB ARG A 115 13.258 -21.595 -2.022 1.00 13.45 C ATOM 1980 CG ARG A 115 12.437 -22.036 -0.821 1.00 12.42 C ATOM 1981 CD ARG A 115 11.346 -23.016 -1.222 1.00 33.13 C ATOM 1982 NE ARG A 115 11.889 -24.201 -1.879 1.00 65.23 N ATOM 1983 CZ ARG A 115 12.427 -25.224 -1.224 1.00 2.11 C ATOM 1984 NH1 ARG A 115 12.492 -25.206 0.100 1.00 22.43 N ATOM 1985 NH2 ARG A 115 12.901 -26.267 -1.893 1.00 73.21 N ATOM 0 H ARG A 115 14.677 -19.074 -1.794 1.00 4.50 H new ATOM 0 HA ARG A 115 15.084 -21.847 -0.916 1.00 73.51 H new ATOM 0 HB2 ARG A 115 12.750 -20.766 -2.514 1.00 13.45 H new ATOM 0 HB3 ARG A 115 13.303 -22.413 -2.741 1.00 13.45 H new ATOM 0 HG2 ARG A 115 13.091 -22.500 -0.082 1.00 12.42 H new ATOM 0 HG3 ARG A 115 11.988 -21.164 -0.346 1.00 12.42 H new ATOM 0 HD2 ARG A 115 10.786 -23.317 -0.337 1.00 33.13 H new ATOM 0 HD3 ARG A 115 10.642 -22.521 -1.891 1.00 33.13 H new ATOM 0 HE ARG A 115 11.853 -24.246 -2.897 1.00 65.23 H new ATOM 0 HH11 ARG A 115 12.129 -24.406 0.618 1.00 22.43 H new ATOM 0 HH12 ARG A 115 12.905 -25.992 0.601 1.00 22.43 H new ATOM 0 HH21 ARG A 115 12.853 -26.284 -2.912 1.00 73.21 H new ATOM 0 HH22 ARG A 115 13.314 -27.052 -1.389 1.00 73.21 H new ATOM 1999 N GLU A 116 15.818 -22.449 -3.384 1.00 75.53 N ATOM 2000 CA GLU A 116 16.652 -22.650 -4.563 1.00 60.01 C ATOM 2001 C GLU A 116 16.158 -23.837 -5.384 1.00 75.42 C ATOM 2002 O GLU A 116 15.947 -24.927 -4.853 1.00 22.20 O ATOM 2003 CB GLU A 116 18.109 -22.872 -4.152 1.00 42.41 C ATOM 2004 CG GLU A 116 18.267 -23.440 -2.752 1.00 71.41 C ATOM 2005 CD GLU A 116 17.491 -24.728 -2.555 1.00 20.23 C ATOM 2006 OE1 GLU A 116 17.871 -25.749 -3.166 1.00 41.32 O ATOM 2007 OE2 GLU A 116 16.504 -24.716 -1.790 1.00 3.33 O ATOM 0 H GLU A 116 15.454 -23.309 -2.973 1.00 75.53 H new ATOM 0 HA GLU A 116 16.588 -21.753 -5.179 1.00 60.01 H new ATOM 0 HB2 GLU A 116 18.580 -23.549 -4.865 1.00 42.41 H new ATOM 0 HB3 GLU A 116 18.643 -21.924 -4.213 1.00 42.41 H new ATOM 0 HG2 GLU A 116 19.323 -23.623 -2.555 1.00 71.41 H new ATOM 0 HG3 GLU A 116 17.930 -22.702 -2.024 1.00 71.41 H new ATOM 2014 N GLU A 117 15.974 -23.617 -6.682 1.00 52.51 N ATOM 2015 CA GLU A 117 15.503 -24.668 -7.576 1.00 53.21 C ATOM 2016 C GLU A 117 16.572 -25.028 -8.603 1.00 62.51 C ATOM 2017 O GLU A 117 16.832 -24.270 -9.537 1.00 54.13 O ATOM 2018 CB GLU A 117 14.223 -24.226 -8.290 1.00 3.24 C ATOM 2019 CG GLU A 117 13.472 -25.367 -8.955 1.00 1.12 C ATOM 2020 CD GLU A 117 12.184 -25.715 -8.235 1.00 54.12 C ATOM 2021 OE1 GLU A 117 11.247 -24.889 -8.264 1.00 71.23 O ATOM 2022 OE2 GLU A 117 12.112 -26.812 -7.643 1.00 54.21 O ATOM 0 H GLU A 117 16.144 -22.720 -7.138 1.00 52.51 H new ATOM 0 HA GLU A 117 15.289 -25.552 -6.975 1.00 53.21 H new ATOM 0 HB2 GLU A 117 13.565 -23.740 -7.570 1.00 3.24 H new ATOM 0 HB3 GLU A 117 14.476 -23.481 -9.044 1.00 3.24 H new ATOM 0 HG2 GLU A 117 13.246 -25.096 -9.986 1.00 1.12 H new ATOM 0 HG3 GLU A 117 14.113 -26.248 -8.990 1.00 1.12 H new ATOM 2029 N ARG A 118 17.190 -26.191 -8.422 1.00 73.30 N ATOM 2030 CA ARG A 118 18.232 -26.652 -9.331 1.00 22.41 C ATOM 2031 C ARG A 118 17.624 -27.298 -10.572 1.00 64.45 C ATOM 2032 O ARG A 118 17.181 -28.447 -10.533 1.00 14.43 O ATOM 2033 CB ARG A 118 19.152 -27.649 -8.623 1.00 12.13 C ATOM 2034 CG ARG A 118 18.423 -28.862 -8.068 1.00 63.35 C ATOM 2035 CD ARG A 118 18.970 -30.155 -8.653 1.00 74.34 C ATOM 2036 NE ARG A 118 20.224 -30.555 -8.021 1.00 32.21 N ATOM 2037 CZ ARG A 118 21.060 -31.445 -8.544 1.00 74.31 C ATOM 2038 NH1 ARG A 118 20.776 -32.025 -9.702 1.00 42.35 N ATOM 2039 NH2 ARG A 118 22.182 -31.757 -7.908 1.00 72.15 N ATOM 0 H ARG A 118 16.987 -26.831 -7.654 1.00 73.30 H new ATOM 0 HA ARG A 118 18.817 -25.786 -9.642 1.00 22.41 H new ATOM 0 HB2 ARG A 118 19.917 -27.984 -9.323 1.00 12.13 H new ATOM 0 HB3 ARG A 118 19.666 -27.140 -7.808 1.00 12.13 H new ATOM 0 HG2 ARG A 118 18.521 -28.882 -6.983 1.00 63.35 H new ATOM 0 HG3 ARG A 118 17.359 -28.782 -8.290 1.00 63.35 H new ATOM 0 HD2 ARG A 118 18.233 -30.949 -8.530 1.00 74.34 H new ATOM 0 HD3 ARG A 118 19.128 -30.030 -9.724 1.00 74.34 H new ATOM 0 HE ARG A 118 20.472 -30.127 -7.129 1.00 32.21 H new ATOM 0 HH11 ARG A 118 19.914 -31.788 -10.193 1.00 42.35 H new ATOM 0 HH12 ARG A 118 21.420 -32.708 -10.102 1.00 42.35 H new ATOM 0 HH21 ARG A 118 22.403 -31.313 -7.017 1.00 72.15 H new ATOM 0 HH22 ARG A 118 22.823 -32.441 -8.310 1.00 72.15 H new ATOM 2053 N CYS A 119 17.607 -26.554 -11.672 1.00 42.42 N ATOM 2054 CA CYS A 119 17.053 -27.053 -12.925 1.00 75.14 C ATOM 2055 C CYS A 119 18.068 -26.930 -14.057 1.00 20.13 C ATOM 2056 O CYS A 119 18.214 -25.868 -14.661 1.00 30.51 O ATOM 2057 CB CYS A 119 15.777 -26.289 -13.283 1.00 41.22 C ATOM 2058 SG CYS A 119 14.275 -26.974 -12.547 1.00 33.12 S ATOM 0 H CYS A 119 17.971 -25.602 -11.722 1.00 42.42 H new ATOM 0 HA CYS A 119 16.812 -28.107 -12.791 1.00 75.14 H new ATOM 0 HB2 CYS A 119 15.885 -25.253 -12.963 1.00 41.22 H new ATOM 0 HB3 CYS A 119 15.665 -26.278 -14.367 1.00 41.22 H new ATOM 0 HG CYS A 119 13.541 -27.510 -13.477 1.00 33.12 H new ATOM 2064 N GLY A 120 18.770 -28.024 -14.337 1.00 74.30 N ATOM 2065 CA GLY A 120 19.764 -28.017 -15.394 1.00 21.31 C ATOM 2066 C GLY A 120 20.828 -26.959 -15.182 1.00 24.05 C ATOM 2067 O GLY A 120 21.164 -26.604 -14.052 1.00 25.15 O ATOM 0 H GLY A 120 18.668 -28.915 -13.851 1.00 74.30 H new ATOM 0 HA2 GLY A 120 20.237 -28.997 -15.450 1.00 21.31 H new ATOM 0 HA3 GLY A 120 19.271 -27.846 -16.351 1.00 21.31 H new ATOM 2071 N PRO A 121 21.379 -26.438 -16.288 1.00 10.41 N ATOM 2072 CA PRO A 121 22.421 -25.407 -16.244 1.00 35.05 C ATOM 2073 C PRO A 121 21.887 -24.064 -15.758 1.00 13.22 C ATOM 2074 O PRO A 121 22.238 -23.013 -16.296 1.00 73.15 O ATOM 2075 CB PRO A 121 22.880 -25.305 -17.700 1.00 5.41 C ATOM 2076 CG PRO A 121 21.711 -25.765 -18.500 1.00 11.42 C ATOM 2077 CD PRO A 121 21.027 -26.814 -17.667 1.00 53.54 C ATOM 0 HA PRO A 121 23.220 -25.664 -15.548 1.00 35.05 H new ATOM 0 HB2 PRO A 121 23.157 -24.283 -17.957 1.00 5.41 H new ATOM 0 HB3 PRO A 121 23.755 -25.928 -17.884 1.00 5.41 H new ATOM 0 HG2 PRO A 121 21.036 -24.937 -18.716 1.00 11.42 H new ATOM 0 HG3 PRO A 121 22.031 -26.175 -19.458 1.00 11.42 H new ATOM 0 HD2 PRO A 121 19.948 -26.809 -17.822 1.00 53.54 H new ATOM 0 HD3 PRO A 121 21.380 -27.816 -17.913 1.00 53.54 H new ATOM 2085 N LEU A 122 21.037 -24.104 -14.737 1.00 62.23 N ATOM 2086 CA LEU A 122 20.455 -22.889 -14.178 1.00 71.20 C ATOM 2087 C LEU A 122 20.153 -23.064 -12.693 1.00 41.41 C ATOM 2088 O LEU A 122 20.181 -24.178 -12.169 1.00 13.42 O ATOM 2089 CB LEU A 122 19.175 -22.520 -14.930 1.00 60.44 C ATOM 2090 CG LEU A 122 19.357 -22.048 -16.373 1.00 61.13 C ATOM 2091 CD1 LEU A 122 18.031 -22.079 -17.116 1.00 55.23 C ATOM 2092 CD2 LEU A 122 19.956 -20.650 -16.405 1.00 42.41 C ATOM 0 H LEU A 122 20.736 -24.965 -14.280 1.00 62.23 H new ATOM 0 HA LEU A 122 21.180 -22.083 -14.291 1.00 71.20 H new ATOM 0 HB2 LEU A 122 18.516 -23.388 -14.933 1.00 60.44 H new ATOM 0 HB3 LEU A 122 18.664 -21.734 -14.373 1.00 60.44 H new ATOM 0 HG LEU A 122 20.046 -22.728 -16.873 1.00 61.13 H new ATOM 0 HD11 LEU A 122 18.180 -21.740 -18.141 1.00 55.23 H new ATOM 0 HD12 LEU A 122 17.642 -23.097 -17.124 1.00 55.23 H new ATOM 0 HD13 LEU A 122 17.319 -21.422 -16.617 1.00 55.23 H new ATOM 0 HD21 LEU A 122 20.079 -20.330 -17.440 1.00 42.41 H new ATOM 0 HD22 LEU A 122 19.292 -19.958 -15.887 1.00 42.41 H new ATOM 0 HD23 LEU A 122 20.927 -20.659 -15.911 1.00 42.41 H new ATOM 2104 N THR A 123 19.863 -21.955 -12.019 1.00 55.12 N ATOM 2105 CA THR A 123 19.554 -21.985 -10.595 1.00 42.21 C ATOM 2106 C THR A 123 18.628 -20.837 -10.209 1.00 30.41 C ATOM 2107 O THR A 123 19.023 -19.672 -10.236 1.00 11.53 O ATOM 2108 CB THR A 123 20.834 -21.906 -9.741 1.00 70.05 C ATOM 2109 OG1 THR A 123 21.983 -22.159 -10.557 1.00 63.41 O ATOM 2110 CG2 THR A 123 20.785 -22.910 -8.599 1.00 42.42 C ATOM 0 H THR A 123 19.836 -21.025 -12.437 1.00 55.12 H new ATOM 0 HA THR A 123 19.053 -22.933 -10.400 1.00 42.21 H new ATOM 0 HB THR A 123 20.902 -20.903 -9.319 1.00 70.05 H new ATOM 0 HG1 THR A 123 22.793 -22.106 -10.007 1.00 63.41 H new ATOM 0 HG21 THR A 123 21.699 -22.836 -8.010 1.00 42.42 H new ATOM 0 HG22 THR A 123 19.925 -22.697 -7.964 1.00 42.42 H new ATOM 0 HG23 THR A 123 20.695 -23.918 -9.004 1.00 42.42 H new ATOM 2118 N PHE A 124 17.394 -21.175 -9.849 1.00 50.30 N ATOM 2119 CA PHE A 124 16.411 -20.172 -9.457 1.00 52.41 C ATOM 2120 C PHE A 124 16.372 -20.011 -7.940 1.00 61.51 C ATOM 2121 O PHE A 124 16.857 -20.869 -7.202 1.00 24.11 O ATOM 2122 CB PHE A 124 15.024 -20.556 -9.976 1.00 73.31 C ATOM 2123 CG PHE A 124 15.001 -20.881 -11.442 1.00 62.33 C ATOM 2124 CD1 PHE A 124 15.429 -22.118 -11.898 1.00 2.01 C ATOM 2125 CD2 PHE A 124 14.552 -19.951 -12.365 1.00 14.30 C ATOM 2126 CE1 PHE A 124 15.410 -22.419 -13.247 1.00 23.24 C ATOM 2127 CE2 PHE A 124 14.530 -20.246 -13.715 1.00 71.40 C ATOM 2128 CZ PHE A 124 14.959 -21.483 -14.156 1.00 51.21 C ATOM 0 H PHE A 124 17.051 -22.135 -9.821 1.00 50.30 H new ATOM 0 HA PHE A 124 16.706 -19.220 -9.898 1.00 52.41 H new ATOM 0 HB2 PHE A 124 14.661 -21.417 -9.415 1.00 73.31 H new ATOM 0 HB3 PHE A 124 14.333 -19.736 -9.783 1.00 73.31 H new ATOM 0 HD1 PHE A 124 15.781 -22.855 -11.191 1.00 2.01 H new ATOM 0 HD2 PHE A 124 14.215 -18.983 -12.025 1.00 14.30 H new ATOM 0 HE1 PHE A 124 15.748 -23.386 -13.590 1.00 23.24 H new ATOM 0 HE2 PHE A 124 14.178 -19.511 -14.424 1.00 71.40 H new ATOM 0 HZ PHE A 124 14.942 -21.717 -15.210 1.00 51.21 H new ATOM 2138 N TYR A 125 15.792 -18.907 -7.483 1.00 24.44 N ATOM 2139 CA TYR A 125 15.693 -18.632 -6.054 1.00 73.22 C ATOM 2140 C TYR A 125 14.455 -17.795 -5.746 1.00 1.01 C ATOM 2141 O TYR A 125 14.322 -16.666 -6.219 1.00 34.03 O ATOM 2142 CB TYR A 125 16.947 -17.907 -5.564 1.00 64.43 C ATOM 2143 CG TYR A 125 18.235 -18.607 -5.937 1.00 41.55 C ATOM 2144 CD1 TYR A 125 18.851 -18.365 -7.159 1.00 43.10 C ATOM 2145 CD2 TYR A 125 18.836 -19.508 -5.068 1.00 21.33 C ATOM 2146 CE1 TYR A 125 20.027 -19.002 -7.504 1.00 63.02 C ATOM 2147 CE2 TYR A 125 20.013 -20.149 -5.404 1.00 10.11 C ATOM 2148 CZ TYR A 125 20.604 -19.893 -6.623 1.00 44.14 C ATOM 2149 OH TYR A 125 21.777 -20.529 -6.963 1.00 53.50 O ATOM 0 H TYR A 125 15.383 -18.188 -8.080 1.00 24.44 H new ATOM 0 HA TYR A 125 15.606 -19.585 -5.532 1.00 73.22 H new ATOM 0 HB2 TYR A 125 16.958 -16.898 -5.977 1.00 64.43 H new ATOM 0 HB3 TYR A 125 16.898 -17.807 -4.480 1.00 64.43 H new ATOM 0 HD1 TYR A 125 18.403 -17.667 -7.851 1.00 43.10 H new ATOM 0 HD2 TYR A 125 18.375 -19.711 -4.113 1.00 21.33 H new ATOM 0 HE1 TYR A 125 20.492 -18.804 -8.458 1.00 63.02 H new ATOM 0 HE2 TYR A 125 20.467 -20.846 -4.716 1.00 10.11 H new ATOM 0 HH TYR A 125 22.051 -21.123 -6.233 1.00 53.50 H new ATOM 2159 N TYR A 126 13.553 -18.357 -4.949 1.00 53.41 N ATOM 2160 CA TYR A 126 12.325 -17.664 -4.578 1.00 35.12 C ATOM 2161 C TYR A 126 12.200 -17.552 -3.061 1.00 54.25 C ATOM 2162 O TYR A 126 12.800 -18.315 -2.305 1.00 4.01 O ATOM 2163 CB TYR A 126 11.109 -18.397 -5.148 1.00 12.20 C ATOM 2164 CG TYR A 126 11.338 -19.876 -5.361 1.00 3.00 C ATOM 2165 CD1 TYR A 126 11.924 -20.347 -6.530 1.00 55.21 C ATOM 2166 CD2 TYR A 126 10.969 -20.803 -4.394 1.00 42.21 C ATOM 2167 CE1 TYR A 126 12.135 -21.697 -6.730 1.00 34.45 C ATOM 2168 CE2 TYR A 126 11.178 -22.155 -4.584 1.00 72.13 C ATOM 2169 CZ TYR A 126 11.760 -22.597 -5.754 1.00 25.54 C ATOM 2170 OH TYR A 126 11.969 -23.944 -5.947 1.00 54.25 O ATOM 0 H TYR A 126 13.649 -19.290 -4.548 1.00 53.41 H new ATOM 0 HA TYR A 126 12.364 -16.658 -4.997 1.00 35.12 H new ATOM 0 HB2 TYR A 126 10.265 -18.262 -4.472 1.00 12.20 H new ATOM 0 HB3 TYR A 126 10.833 -17.940 -6.098 1.00 12.20 H new ATOM 0 HD1 TYR A 126 12.220 -19.645 -7.295 1.00 55.21 H new ATOM 0 HD2 TYR A 126 10.511 -20.460 -3.478 1.00 42.21 H new ATOM 0 HE1 TYR A 126 12.591 -22.046 -7.645 1.00 34.45 H new ATOM 0 HE2 TYR A 126 10.887 -22.862 -3.821 1.00 72.13 H new ATOM 0 HH TYR A 126 11.353 -24.276 -6.633 1.00 54.25 H new ATOM 2180 N PRO A 127 11.399 -16.577 -2.605 1.00 42.25 N ATOM 2181 CA PRO A 127 11.174 -16.341 -1.176 1.00 44.33 C ATOM 2182 C PRO A 127 10.355 -17.451 -0.527 1.00 41.02 C ATOM 2183 O PRO A 127 9.127 -17.458 -0.607 1.00 45.23 O ATOM 2184 CB PRO A 127 10.400 -15.021 -1.152 1.00 53.34 C ATOM 2185 CG PRO A 127 9.724 -14.954 -2.479 1.00 4.34 C ATOM 2186 CD PRO A 127 10.652 -15.630 -3.450 1.00 73.01 C ATOM 0 HA PRO A 127 12.108 -16.313 -0.615 1.00 44.33 H new ATOM 0 HB2 PRO A 127 9.676 -15.001 -0.337 1.00 53.34 H new ATOM 0 HB3 PRO A 127 11.068 -14.173 -1.005 1.00 53.34 H new ATOM 0 HG2 PRO A 127 8.757 -15.455 -2.450 1.00 4.34 H new ATOM 0 HG3 PRO A 127 9.539 -13.920 -2.771 1.00 4.34 H new ATOM 0 HD2 PRO A 127 10.103 -16.143 -4.240 1.00 73.01 H new ATOM 0 HD3 PRO A 127 11.316 -14.915 -3.936 1.00 73.01 H new ATOM 2194 N GLY A 128 11.043 -18.389 0.117 1.00 62.14 N ATOM 2195 CA GLY A 128 10.362 -19.491 0.770 1.00 22.35 C ATOM 2196 C GLY A 128 9.379 -20.191 -0.146 1.00 73.05 C ATOM 2197 O GLY A 128 9.574 -20.234 -1.361 1.00 43.40 O ATOM 0 H GLY A 128 12.060 -18.405 0.198 1.00 62.14 H new ATOM 0 HA2 GLY A 128 11.100 -20.211 1.124 1.00 22.35 H new ATOM 0 HA3 GLY A 128 9.834 -19.118 1.648 1.00 22.35 H new ATOM 2201 N SER A 129 8.319 -20.743 0.436 1.00 52.24 N ATOM 2202 CA SER A 129 7.304 -21.449 -0.337 1.00 34.21 C ATOM 2203 C SER A 129 5.918 -20.868 -0.073 1.00 31.12 C ATOM 2204 O SER A 129 5.116 -20.705 -0.992 1.00 52.51 O ATOM 2205 CB SER A 129 7.318 -22.940 0.006 1.00 74.23 C ATOM 2206 OG SER A 129 6.757 -23.710 -1.044 1.00 13.14 O ATOM 0 H SER A 129 8.141 -20.715 1.440 1.00 52.24 H new ATOM 0 HA SER A 129 7.536 -21.324 -1.395 1.00 34.21 H new ATOM 0 HB2 SER A 129 8.342 -23.264 0.192 1.00 74.23 H new ATOM 0 HB3 SER A 129 6.758 -23.110 0.925 1.00 74.23 H new ATOM 0 HG SER A 129 6.779 -24.659 -0.801 1.00 13.14 H new ATOM 2212 N SER A 130 5.644 -20.558 1.190 1.00 21.14 N ATOM 2213 CA SER A 130 4.354 -19.999 1.578 1.00 44.42 C ATOM 2214 C SER A 130 4.235 -18.546 1.127 1.00 73.14 C ATOM 2215 O SER A 130 4.986 -17.682 1.576 1.00 21.41 O ATOM 2216 CB SER A 130 4.169 -20.091 3.094 1.00 44.43 C ATOM 2217 OG SER A 130 3.795 -21.401 3.483 1.00 0.42 O ATOM 0 H SER A 130 6.298 -20.684 1.962 1.00 21.14 H new ATOM 0 HA SER A 130 3.572 -20.579 1.088 1.00 44.42 H new ATOM 0 HB2 SER A 130 5.096 -19.810 3.594 1.00 44.43 H new ATOM 0 HB3 SER A 130 3.406 -19.381 3.414 1.00 44.43 H new ATOM 0 HG SER A 130 3.685 -21.434 4.456 1.00 0.42 H new TER 2223 SER A 130