USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -0.13 K(o=-0.072,f=-0.97) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0584 USER MOD Set 2.1: A 73 SER OG : rot 101:sc= -0.511 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -1.28 K(o=-1.8,f=-7.5!) USER MOD Set 3.1: A 19 GLN : amide:sc=-0.00775 X(o=-2,f=-2) USER MOD Set 3.2: A 36 ASN : amide:sc= -2.03! C(o=-2!,f=-3.4!) USER MOD Single : A 11 SER OG : rot -12:sc= 0.548! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.552 F(o=-1.5!,f=-0.55) USER MOD Single : A 29 SER OG : rot -87:sc= 0.377 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 33 TYR OH : rot -160:sc= -0.348 USER MOD Single : A 34 SER OG : rot 31:sc= 0.0263 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.63! C(o=-9.4!,f=-7.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -16:sc= -1.6! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.53 K(o=-1.5,f=-2!) USER MOD Single : A 68 SER OG : rot -17:sc= 0.622! USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= -0.354 (180deg=-0.381) USER MOD Single : A 72 GLN : amide:sc= -0.93 X(o=-0.93,f=-0.98) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.617! C(o=-3.2!,f=-0.62!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 70:sc= 1.31 USER MOD Single : A 97 TYR OH : rot 49:sc= -2.87 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -4.23 K(o=-4.2,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 109 SER OG : rot -140:sc= -6.55! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -160:sc= 0.00237 USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -31.784 -1.467 0.026 1.00 0.00 N ATOM 26 CA ARG A 8 -30.333 -1.584 -0.050 1.00 0.00 C ATOM 27 C ARG A 8 -29.708 -0.268 -0.502 1.00 0.00 C ATOM 28 O ARG A 8 -30.401 0.737 -0.660 1.00 0.00 O ATOM 29 CB ARG A 8 -29.940 -2.706 -1.008 1.00 0.00 C ATOM 30 CG ARG A 8 -30.551 -2.570 -2.390 1.00 0.00 C ATOM 31 CD ARG A 8 -30.045 -3.658 -3.318 1.00 0.00 C ATOM 32 NE ARG A 8 -31.064 -4.671 -3.580 1.00 0.00 N ATOM 33 CZ ARG A 8 -32.047 -4.517 -4.461 1.00 0.00 C ATOM 34 NH1 ARG A 8 -32.140 -3.397 -5.166 1.00 0.00 N ATOM 35 NH2 ARG A 8 -32.936 -5.484 -4.640 1.00 0.00 N ATOM 0 HA ARG A 8 -29.958 -1.822 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.854 -2.729 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -30.243 -3.661 -0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -31.637 -2.625 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.308 -1.592 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -29.727 -3.212 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.168 -4.132 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 8 -31.019 -5.546 -3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -31.456 -2.652 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -32.895 -3.281 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -32.866 -6.347 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -33.690 -5.365 -5.316 1.00 0.00 H new ATOM 49 N CYS A 9 -28.396 -0.281 -0.710 1.00 0.00 N ATOM 50 CA CYS A 9 -27.679 0.910 -1.143 1.00 0.00 C ATOM 51 C CYS A 9 -27.312 0.817 -2.619 1.00 0.00 C ATOM 52 O CYS A 9 -27.261 -0.274 -3.187 1.00 0.00 O ATOM 53 CB CYS A 9 -26.412 1.094 -0.307 1.00 0.00 C ATOM 54 SG CYS A 9 -26.719 1.682 1.390 1.00 0.00 S ATOM 0 H CYS A 9 -27.808 -1.105 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.333 1.770 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.879 0.144 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.756 1.803 -0.812 1.00 0.00 H new ATOM 59 N PRO A 10 -27.055 1.966 -3.264 1.00 0.00 N ATOM 60 CA PRO A 10 -26.659 2.002 -4.671 1.00 0.00 C ATOM 61 C PRO A 10 -25.268 1.421 -4.857 1.00 0.00 C ATOM 62 O PRO A 10 -24.570 1.153 -3.879 1.00 0.00 O ATOM 63 CB PRO A 10 -26.678 3.490 -5.012 1.00 0.00 C ATOM 64 CG PRO A 10 -26.432 4.172 -3.715 1.00 0.00 C ATOM 65 CD PRO A 10 -27.070 3.310 -2.661 1.00 0.00 C ATOM 0 HA PRO A 10 -27.316 1.413 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.909 3.739 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.635 3.787 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.364 4.285 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.864 5.173 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.510 3.337 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.085 3.637 -2.434 1.00 0.00 H new ATOM 73 N SER A 11 -24.856 1.222 -6.102 1.00 0.00 N ATOM 74 CA SER A 11 -23.545 0.665 -6.365 1.00 0.00 C ATOM 75 C SER A 11 -22.465 1.467 -5.643 1.00 0.00 C ATOM 76 O SER A 11 -22.366 2.682 -5.815 1.00 0.00 O ATOM 77 CB SER A 11 -23.257 0.634 -7.858 1.00 0.00 C ATOM 78 OG SER A 11 -22.707 1.862 -8.301 1.00 0.00 O ATOM 0 H SER A 11 -25.406 1.436 -6.934 1.00 0.00 H new ATOM 0 HA SER A 11 -23.535 -0.358 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.565 -0.178 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.177 0.427 -8.404 1.00 0.00 H new ATOM 0 HG SER A 11 -22.810 2.538 -7.599 1.00 0.00 H new ATOM 84 N PRO A 12 -21.657 0.804 -4.802 1.00 0.00 N ATOM 85 CA PRO A 12 -20.589 1.461 -4.048 1.00 0.00 C ATOM 86 C PRO A 12 -19.583 2.152 -4.954 1.00 0.00 C ATOM 87 O PRO A 12 -19.451 1.812 -6.130 1.00 0.00 O ATOM 88 CB PRO A 12 -19.916 0.309 -3.295 1.00 0.00 C ATOM 89 CG PRO A 12 -20.325 -0.918 -4.029 1.00 0.00 C ATOM 90 CD PRO A 12 -21.700 -0.639 -4.533 1.00 0.00 C ATOM 0 HA PRO A 12 -20.979 2.244 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.832 0.422 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.240 0.274 -2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.641 -1.130 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.316 -1.789 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.926 -1.212 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.461 -0.891 -3.795 1.00 0.00 H new ATOM 98 N ARG A 13 -18.868 3.116 -4.394 1.00 0.00 N ATOM 99 CA ARG A 13 -17.853 3.841 -5.137 1.00 0.00 C ATOM 100 C ARG A 13 -16.660 2.951 -5.410 1.00 0.00 C ATOM 101 O ARG A 13 -16.280 2.123 -4.584 1.00 0.00 O ATOM 102 CB ARG A 13 -17.416 5.082 -4.362 1.00 0.00 C ATOM 103 CG ARG A 13 -18.091 6.358 -4.833 1.00 0.00 C ATOM 104 CD ARG A 13 -17.135 7.534 -4.782 1.00 0.00 C ATOM 105 NE ARG A 13 -17.285 8.416 -5.937 1.00 0.00 N ATOM 106 CZ ARG A 13 -16.792 9.649 -5.992 1.00 0.00 C ATOM 107 NH1 ARG A 13 -16.970 10.389 -7.077 1.00 0.00 N ATOM 108 NH2 ARG A 13 -16.121 10.144 -4.961 1.00 0.00 N ATOM 0 H ARG A 13 -18.974 3.414 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.280 4.153 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.632 4.935 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.336 5.196 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.455 6.225 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.960 6.565 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.308 8.102 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.110 7.166 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.797 8.066 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.486 10.012 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.591 11.335 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.982 9.578 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.743 11.091 -5.005 1.00 0.00 H new ATOM 122 N ASP A 14 -16.084 3.121 -6.583 1.00 0.00 N ATOM 123 CA ASP A 14 -14.970 2.312 -7.004 1.00 0.00 C ATOM 124 C ASP A 14 -13.652 2.851 -6.457 1.00 0.00 C ATOM 125 O ASP A 14 -13.635 3.757 -5.623 1.00 0.00 O ATOM 126 CB ASP A 14 -14.965 2.262 -8.531 1.00 0.00 C ATOM 127 CG ASP A 14 -14.304 3.468 -9.179 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.036 4.345 -9.684 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.057 3.534 -9.178 1.00 0.00 O ATOM 0 H ASP A 14 -16.377 3.821 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.077 1.303 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.449 1.358 -8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.993 2.187 -8.887 1.00 0.00 H new ATOM 134 N ILE A 15 -12.554 2.287 -6.936 1.00 0.00 N ATOM 135 CA ILE A 15 -11.230 2.704 -6.497 1.00 0.00 C ATOM 136 C ILE A 15 -10.172 2.381 -7.541 1.00 0.00 C ATOM 137 O ILE A 15 -10.234 1.344 -8.202 1.00 0.00 O ATOM 138 CB ILE A 15 -10.833 2.025 -5.178 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.493 2.574 -4.691 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.755 0.518 -5.362 1.00 0.00 C ATOM 141 CD1 ILE A 15 -9.170 2.193 -3.268 1.00 0.00 C ATOM 0 H ILE A 15 -12.553 1.539 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.281 3.783 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.593 2.241 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.701 2.210 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.502 3.661 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.473 0.050 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.727 0.139 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.009 0.282 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.205 2.616 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.942 2.580 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.129 1.107 -3.183 1.00 0.00 H new ATOM 153 N ASP A 16 -9.188 3.262 -7.667 1.00 0.00 N ATOM 154 CA ASP A 16 -8.090 3.043 -8.589 1.00 0.00 C ATOM 155 C ASP A 16 -6.960 2.316 -7.879 1.00 0.00 C ATOM 156 O ASP A 16 -6.884 2.321 -6.650 1.00 0.00 O ATOM 157 CB ASP A 16 -7.585 4.371 -9.142 1.00 0.00 C ATOM 158 CG ASP A 16 -7.095 4.255 -10.572 1.00 0.00 C ATOM 159 OD1 ASP A 16 -7.495 3.293 -11.260 1.00 0.00 O ATOM 160 OD2 ASP A 16 -6.309 5.125 -11.002 1.00 0.00 O ATOM 0 H ASP A 16 -9.131 4.134 -7.141 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.446 2.433 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.386 5.109 -9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.775 4.739 -8.512 1.00 0.00 H new ATOM 165 N ASN A 17 -6.098 1.669 -8.650 1.00 0.00 N ATOM 166 CA ASN A 17 -4.977 0.924 -8.082 1.00 0.00 C ATOM 167 C ASN A 17 -5.451 0.022 -6.943 1.00 0.00 C ATOM 168 O ASN A 17 -4.689 -0.293 -6.029 1.00 0.00 O ATOM 169 CB ASN A 17 -3.895 1.881 -7.564 1.00 0.00 C ATOM 170 CG ASN A 17 -3.825 3.187 -8.338 1.00 0.00 C ATOM 171 OD1 ASN A 17 -4.123 3.131 -9.631 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -3.506 4.235 -7.777 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.150 1.643 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.553 0.305 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.086 2.099 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.926 1.384 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.285 4.234 -6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.463 5.105 -8.308 1.00 0.00 H new ATOM 179 N GLY A 18 -6.723 -0.366 -6.992 1.00 0.00 N ATOM 180 CA GLY A 18 -7.283 -1.210 -5.952 1.00 0.00 C ATOM 181 C GLY A 18 -8.506 -1.974 -6.418 1.00 0.00 C ATOM 182 O GLY A 18 -8.905 -1.872 -7.578 1.00 0.00 O ATOM 0 H GLY A 18 -7.375 -0.111 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.524 -1.916 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.549 -0.594 -5.093 1.00 0.00 H new ATOM 186 N GLN A 19 -9.099 -2.751 -5.515 1.00 0.00 N ATOM 187 CA GLN A 19 -10.278 -3.548 -5.845 1.00 0.00 C ATOM 188 C GLN A 19 -11.217 -3.652 -4.647 1.00 0.00 C ATOM 189 O GLN A 19 -10.780 -3.922 -3.528 1.00 0.00 O ATOM 190 CB GLN A 19 -9.877 -4.958 -6.304 1.00 0.00 C ATOM 191 CG GLN A 19 -8.446 -5.068 -6.812 1.00 0.00 C ATOM 192 CD GLN A 19 -8.232 -6.280 -7.696 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.706 -6.170 -8.803 1.00 0.00 O ATOM 194 NE2 GLN A 19 -8.639 -7.446 -7.209 1.00 0.00 N ATOM 0 H GLN A 19 -8.783 -2.846 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.796 -3.044 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.009 -5.650 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.556 -5.277 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.192 -4.167 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.766 -5.118 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.070 -7.490 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.520 -8.297 -7.758 1.00 0.00 H new ATOM 203 N LEU A 20 -12.509 -3.454 -4.890 1.00 0.00 N ATOM 204 CA LEU A 20 -13.503 -3.528 -3.830 1.00 0.00 C ATOM 205 C LEU A 20 -13.842 -4.974 -3.487 1.00 0.00 C ATOM 206 O LEU A 20 -13.707 -5.871 -4.319 1.00 0.00 O ATOM 207 CB LEU A 20 -14.772 -2.798 -4.253 1.00 0.00 C ATOM 208 CG LEU A 20 -14.745 -1.285 -4.053 1.00 0.00 C ATOM 209 CD1 LEU A 20 -16.010 -0.669 -4.610 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.521 -0.673 -4.714 1.00 0.00 C ATOM 0 H LEU A 20 -12.890 -3.241 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 20 -13.081 -3.053 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.959 -3.006 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.612 -3.208 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.690 -1.077 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.984 0.411 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.084 -0.889 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.875 -1.084 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.524 0.406 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.619 -1.100 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.541 -0.885 -5.783 1.00 0.00 H new ATOM 222 N ASP A 21 -14.306 -5.185 -2.261 1.00 0.00 N ATOM 223 CA ASP A 21 -14.728 -6.507 -1.813 1.00 0.00 C ATOM 224 C ASP A 21 -16.166 -6.439 -1.317 1.00 0.00 C ATOM 225 O ASP A 21 -16.422 -6.451 -0.113 1.00 0.00 O ATOM 226 CB ASP A 21 -13.810 -7.024 -0.705 1.00 0.00 C ATOM 227 CG ASP A 21 -13.511 -8.503 -0.843 1.00 0.00 C ATOM 228 OD1 ASP A 21 -14.302 -9.320 -0.324 1.00 0.00 O ATOM 229 OD2 ASP A 21 -12.486 -8.846 -1.469 1.00 0.00 O ATOM 0 H ASP A 21 -14.400 -4.454 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.666 -7.200 -2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.875 -6.464 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.275 -6.839 0.263 1.00 0.00 H new ATOM 234 N ILE A 22 -17.093 -6.302 -2.257 1.00 0.00 N ATOM 235 CA ILE A 22 -18.507 -6.153 -1.927 1.00 0.00 C ATOM 236 C ILE A 22 -19.102 -7.440 -1.371 1.00 0.00 C ATOM 237 O ILE A 22 -19.453 -8.350 -2.122 1.00 0.00 O ATOM 238 CB ILE A 22 -19.347 -5.707 -3.144 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.524 -4.812 -4.082 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.599 -4.985 -2.673 1.00 0.00 C ATOM 241 CD1 ILE A 22 -19.349 -4.073 -5.115 1.00 0.00 C ATOM 0 H ILE A 22 -16.891 -6.291 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.547 -5.377 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.642 -6.593 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.975 -4.085 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.784 -5.426 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -21.186 -4.674 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -21.194 -5.655 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.316 -4.108 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.693 -3.464 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.877 -4.792 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.071 -3.430 -4.612 1.00 0.00 H new ATOM 253 N GLY A 23 -19.246 -7.492 -0.052 1.00 0.00 N ATOM 254 CA GLY A 23 -19.864 -8.639 0.581 1.00 0.00 C ATOM 255 C GLY A 23 -21.317 -8.372 0.932 1.00 0.00 C ATOM 256 O GLY A 23 -21.909 -9.082 1.745 1.00 0.00 O ATOM 0 H GLY A 23 -18.945 -6.759 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -19.803 -9.499 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.313 -8.897 1.485 1.00 0.00 H new ATOM 260 N GLY A 24 -21.890 -7.337 0.318 1.00 0.00 N ATOM 261 CA GLY A 24 -23.270 -6.976 0.584 1.00 0.00 C ATOM 262 C GLY A 24 -23.530 -5.510 0.298 1.00 0.00 C ATOM 263 O GLY A 24 -22.619 -4.690 0.391 1.00 0.00 O ATOM 0 H GLY A 24 -21.418 -6.741 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.931 -7.589 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.509 -7.192 1.625 1.00 0.00 H new ATOM 267 N VAL A 25 -24.766 -5.178 -0.066 1.00 0.00 N ATOM 268 CA VAL A 25 -25.117 -3.796 -0.385 1.00 0.00 C ATOM 269 C VAL A 25 -26.421 -3.366 0.286 1.00 0.00 C ATOM 270 O VAL A 25 -26.993 -2.335 -0.066 1.00 0.00 O ATOM 271 CB VAL A 25 -25.254 -3.591 -1.906 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.965 -3.976 -2.617 1.00 0.00 C ATOM 273 CG2 VAL A 25 -26.430 -4.388 -2.450 1.00 0.00 C ATOM 0 H VAL A 25 -25.537 -5.841 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 25 -24.303 -3.180 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 25 -25.443 -2.534 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -24.082 -3.824 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -23.148 -3.355 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.741 -5.025 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -26.510 -4.230 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -26.275 -5.448 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -27.349 -4.058 -1.965 1.00 0.00 H new ATOM 283 N ASP A 26 -26.891 -4.153 1.249 1.00 0.00 N ATOM 284 CA ASP A 26 -28.131 -3.831 1.951 1.00 0.00 C ATOM 285 C ASP A 26 -27.872 -2.881 3.114 1.00 0.00 C ATOM 286 O ASP A 26 -26.757 -2.806 3.632 1.00 0.00 O ATOM 287 CB ASP A 26 -28.817 -5.100 2.462 1.00 0.00 C ATOM 288 CG ASP A 26 -27.843 -6.099 3.055 1.00 0.00 C ATOM 289 OD1 ASP A 26 -26.866 -6.457 2.365 1.00 0.00 O ATOM 290 OD2 ASP A 26 -28.057 -6.523 4.210 1.00 0.00 O ATOM 0 H ASP A 26 -26.437 -5.012 1.560 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.791 -3.338 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -29.556 -4.829 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -29.358 -5.571 1.641 1.00 0.00 H new ATOM 295 N PHE A 27 -28.911 -2.159 3.522 1.00 0.00 N ATOM 296 CA PHE A 27 -28.798 -1.215 4.626 1.00 0.00 C ATOM 297 C PHE A 27 -28.176 -1.882 5.846 1.00 0.00 C ATOM 298 O PHE A 27 -28.834 -2.643 6.555 1.00 0.00 O ATOM 299 CB PHE A 27 -30.172 -0.648 4.984 1.00 0.00 C ATOM 300 CG PHE A 27 -30.131 0.413 6.048 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.197 0.579 6.917 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.030 1.247 6.177 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.167 1.554 7.895 1.00 0.00 C ATOM 304 CE2 PHE A 27 -28.995 2.224 7.154 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.065 2.377 8.014 1.00 0.00 C ATOM 0 H PHE A 27 -29.840 -2.210 3.104 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.149 -0.398 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.628 -0.232 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -30.814 -1.462 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.062 -0.062 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -28.191 1.132 5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -32.005 1.672 8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -28.132 2.867 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.040 3.139 8.778 1.00 0.00 H new ATOM 315 N GLY A 28 -26.903 -1.593 6.080 1.00 0.00 N ATOM 316 CA GLY A 28 -26.206 -2.176 7.209 1.00 0.00 C ATOM 317 C GLY A 28 -25.071 -3.095 6.792 1.00 0.00 C ATOM 318 O GLY A 28 -24.373 -3.646 7.643 1.00 0.00 O ATOM 0 H GLY A 28 -26.340 -0.964 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.809 -1.378 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -26.916 -2.736 7.818 1.00 0.00 H new ATOM 322 N SER A 29 -24.884 -3.270 5.484 1.00 0.00 N ATOM 323 CA SER A 29 -23.817 -4.121 4.979 1.00 0.00 C ATOM 324 C SER A 29 -22.483 -3.387 5.028 1.00 0.00 C ATOM 325 O SER A 29 -22.406 -2.257 5.507 1.00 0.00 O ATOM 326 CB SER A 29 -24.119 -4.560 3.545 1.00 0.00 C ATOM 327 OG SER A 29 -24.160 -3.448 2.668 1.00 0.00 O ATOM 0 H SER A 29 -25.457 -2.834 4.761 1.00 0.00 H new ATOM 0 HA SER A 29 -23.755 -5.006 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.358 -5.264 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 29 -25.074 -5.085 3.516 1.00 0.00 H new ATOM 0 HG SER A 29 -25.062 -3.065 2.668 1.00 0.00 H new ATOM 333 N SER A 30 -21.435 -4.031 4.531 1.00 0.00 N ATOM 334 CA SER A 30 -20.113 -3.424 4.525 1.00 0.00 C ATOM 335 C SER A 30 -19.264 -3.954 3.377 1.00 0.00 C ATOM 336 O SER A 30 -19.499 -5.051 2.870 1.00 0.00 O ATOM 337 CB SER A 30 -19.405 -3.679 5.857 1.00 0.00 C ATOM 338 OG SER A 30 -19.786 -4.929 6.405 1.00 0.00 O ATOM 0 H SER A 30 -21.475 -4.968 4.129 1.00 0.00 H new ATOM 0 HA SER A 30 -20.241 -2.351 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.325 -3.657 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.647 -2.881 6.560 1.00 0.00 H new ATOM 0 HG SER A 30 -19.319 -5.070 7.255 1.00 0.00 H new ATOM 344 N ILE A 31 -18.274 -3.166 2.975 1.00 0.00 N ATOM 345 CA ILE A 31 -17.385 -3.546 1.880 1.00 0.00 C ATOM 346 C ILE A 31 -15.932 -3.562 2.342 1.00 0.00 C ATOM 347 O ILE A 31 -15.602 -3.029 3.400 1.00 0.00 O ATOM 348 CB ILE A 31 -17.499 -2.589 0.671 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.827 -1.829 0.675 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.348 -3.364 -0.626 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.919 -0.789 -0.415 1.00 0.00 C ATOM 0 H ILE A 31 -18.065 -2.258 3.391 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.696 -4.543 1.569 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.695 -1.857 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.645 -2.540 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.958 -1.345 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.430 -2.680 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.373 -3.851 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.132 -4.118 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.884 -0.286 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.121 -0.058 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.819 -1.271 -1.387 1.00 0.00 H new ATOM 363 N THR A 32 -15.063 -4.153 1.528 1.00 0.00 N ATOM 364 CA THR A 32 -13.641 -4.218 1.847 1.00 0.00 C ATOM 365 C THR A 32 -12.800 -3.721 0.675 1.00 0.00 C ATOM 366 O THR A 32 -12.782 -4.332 -0.392 1.00 0.00 O ATOM 367 CB THR A 32 -13.237 -5.648 2.210 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.360 -6.391 2.654 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.185 -5.715 3.293 1.00 0.00 C ATOM 0 H THR A 32 -15.318 -4.593 0.644 1.00 0.00 H new ATOM 0 HA THR A 32 -13.458 -3.571 2.705 1.00 0.00 H new ATOM 0 HB THR A 32 -12.821 -6.071 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.081 -7.303 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.944 -6.757 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.287 -5.195 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.564 -5.241 4.198 1.00 0.00 H new ATOM 377 N TYR A 33 -12.107 -2.605 0.880 1.00 0.00 N ATOM 378 CA TYR A 33 -11.268 -2.025 -0.161 1.00 0.00 C ATOM 379 C TYR A 33 -9.857 -2.605 -0.112 1.00 0.00 C ATOM 380 O TYR A 33 -9.338 -2.907 0.963 1.00 0.00 O ATOM 381 CB TYR A 33 -11.217 -0.504 -0.011 1.00 0.00 C ATOM 382 CG TYR A 33 -12.418 0.200 -0.601 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.640 0.210 0.062 1.00 0.00 C ATOM 384 CD2 TYR A 33 -12.331 0.847 -1.827 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.738 0.848 -0.479 1.00 0.00 C ATOM 386 CE2 TYR A 33 -13.427 1.489 -2.374 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.627 1.485 -1.695 1.00 0.00 C ATOM 388 OH TYR A 33 -15.720 2.120 -2.234 1.00 0.00 O ATOM 0 H TYR A 33 -12.110 -2.085 1.758 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.706 -2.273 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.142 -0.253 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.313 -0.129 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.732 -0.289 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.393 0.849 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.680 0.848 0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.343 1.990 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.588 2.238 -3.198 1.00 0.00 H new ATOM 398 N SER A 34 -9.244 -2.768 -1.281 1.00 0.00 N ATOM 399 CA SER A 34 -7.896 -3.319 -1.366 1.00 0.00 C ATOM 400 C SER A 34 -7.137 -2.733 -2.551 1.00 0.00 C ATOM 401 O SER A 34 -7.729 -2.113 -3.434 1.00 0.00 O ATOM 402 CB SER A 34 -7.955 -4.843 -1.490 1.00 0.00 C ATOM 403 OG SER A 34 -7.848 -5.464 -0.221 1.00 0.00 O ATOM 0 H SER A 34 -9.659 -2.527 -2.181 1.00 0.00 H new ATOM 0 HA SER A 34 -7.365 -3.052 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.892 -5.136 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.149 -5.190 -2.137 1.00 0.00 H new ATOM 0 HG SER A 34 -8.236 -4.879 0.463 1.00 0.00 H new ATOM 409 N CYS A 35 -5.824 -2.938 -2.565 1.00 0.00 N ATOM 410 CA CYS A 35 -4.984 -2.434 -3.641 1.00 0.00 C ATOM 411 C CYS A 35 -4.877 -3.458 -4.767 1.00 0.00 C ATOM 412 O CYS A 35 -5.129 -4.646 -4.564 1.00 0.00 O ATOM 413 CB CYS A 35 -3.597 -2.087 -3.104 1.00 0.00 C ATOM 414 SG CYS A 35 -3.392 -0.333 -2.654 1.00 0.00 S ATOM 0 H CYS A 35 -5.320 -3.451 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.442 -1.531 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.394 -2.702 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.852 -2.348 -3.856 1.00 0.00 H new ATOM 419 N ASN A 36 -4.526 -2.986 -5.959 1.00 0.00 N ATOM 420 CA ASN A 36 -4.418 -3.861 -7.124 1.00 0.00 C ATOM 421 C ASN A 36 -3.415 -4.988 -6.881 1.00 0.00 C ATOM 422 O ASN A 36 -3.789 -6.073 -6.437 1.00 0.00 O ATOM 423 CB ASN A 36 -4.020 -3.054 -8.362 1.00 0.00 C ATOM 424 CG ASN A 36 -5.222 -2.608 -9.172 1.00 0.00 C ATOM 425 OD1 ASN A 36 -6.315 -3.158 -9.036 1.00 0.00 O ATOM 426 ND2 ASN A 36 -5.025 -1.608 -10.023 1.00 0.00 N ATOM 0 H ASN A 36 -4.312 -2.006 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.395 -4.312 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.448 -2.179 -8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.365 -3.657 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.797 -1.267 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.102 -1.181 -10.103 1.00 0.00 H new ATOM 433 N SER A 37 -2.145 -4.734 -7.189 1.00 0.00 N ATOM 434 CA SER A 37 -1.102 -5.735 -7.004 1.00 0.00 C ATOM 435 C SER A 37 0.246 -5.072 -6.750 1.00 0.00 C ATOM 436 O SER A 37 0.635 -4.141 -7.455 1.00 0.00 O ATOM 437 CB SER A 37 -1.014 -6.646 -8.231 1.00 0.00 C ATOM 438 OG SER A 37 0.286 -7.193 -8.372 1.00 0.00 O ATOM 0 H SER A 37 -1.816 -3.845 -7.567 1.00 0.00 H new ATOM 0 HA SER A 37 -1.361 -6.337 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.743 -7.452 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.272 -6.080 -9.126 1.00 0.00 H new ATOM 0 HG SER A 37 0.313 -7.772 -9.162 1.00 0.00 H new ATOM 444 N GLY A 38 0.954 -5.563 -5.742 1.00 0.00 N ATOM 445 CA GLY A 38 2.243 -4.996 -5.397 1.00 0.00 C ATOM 446 C GLY A 38 2.119 -3.602 -4.814 1.00 0.00 C ATOM 447 O GLY A 38 3.089 -2.845 -4.784 1.00 0.00 O ATOM 0 H GLY A 38 0.659 -6.344 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.743 -5.645 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.872 -4.961 -6.286 1.00 0.00 H new ATOM 451 N TYR A 39 0.918 -3.263 -4.354 1.00 0.00 N ATOM 452 CA TYR A 39 0.661 -1.954 -3.773 1.00 0.00 C ATOM 453 C TYR A 39 0.368 -2.072 -2.284 1.00 0.00 C ATOM 454 O TYR A 39 0.384 -3.167 -1.721 1.00 0.00 O ATOM 455 CB TYR A 39 -0.533 -1.299 -4.470 1.00 0.00 C ATOM 456 CG TYR A 39 -0.160 -0.442 -5.656 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.906 0.684 -5.982 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.928 -0.765 -6.457 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.570 1.469 -7.068 1.00 0.00 C ATOM 460 CE2 TYR A 39 1.270 0.015 -7.543 1.00 0.00 C ATOM 461 CZ TYR A 39 0.517 1.130 -7.846 1.00 0.00 C ATOM 462 OH TYR A 39 0.854 1.909 -8.929 1.00 0.00 O ATOM 0 H TYR A 39 0.107 -3.881 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 39 1.551 -1.340 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.220 -2.078 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.071 -0.686 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.761 0.949 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.516 -1.641 -6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.156 2.344 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.123 -0.246 -8.152 1.00 0.00 H new ATOM 0 HH TYR A 39 1.645 1.533 -9.369 1.00 0.00 H new ATOM 472 N HIS A 40 0.076 -0.940 -1.657 1.00 0.00 N ATOM 473 CA HIS A 40 -0.286 -0.920 -0.248 1.00 0.00 C ATOM 474 C HIS A 40 -1.381 0.110 -0.006 1.00 0.00 C ATOM 475 O HIS A 40 -1.175 1.309 -0.179 1.00 0.00 O ATOM 476 CB HIS A 40 0.938 -0.648 0.637 1.00 0.00 C ATOM 477 CG HIS A 40 1.395 0.779 0.658 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.461 1.708 -0.324 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 1.895 1.388 1.791 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 1.977 2.853 0.233 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 2.234 2.633 1.507 1.00 0.00 N flip ATOM 0 H HIS A 40 0.083 -0.023 -2.104 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.669 -1.903 0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.707 -0.956 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.762 -1.274 0.295 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.180 1.582 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.994 0.920 2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.145 3.783 -0.289 1.00 0.00 H new ATOM 490 N LEU A 41 -2.572 -0.383 0.311 1.00 0.00 N ATOM 491 CA LEU A 41 -3.720 0.476 0.548 1.00 0.00 C ATOM 492 C LEU A 41 -3.573 1.199 1.875 1.00 0.00 C ATOM 493 O LEU A 41 -3.353 0.573 2.912 1.00 0.00 O ATOM 494 CB LEU A 41 -5.007 -0.353 0.536 1.00 0.00 C ATOM 495 CG LEU A 41 -6.256 0.383 1.017 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.449 0.036 0.140 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.546 0.040 2.468 1.00 0.00 C ATOM 0 H LEU A 41 -2.766 -1.379 0.410 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.772 1.219 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.182 -0.709 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.860 -1.234 1.161 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.075 1.455 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.330 0.569 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.241 0.327 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.632 -1.038 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.439 0.572 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.708 -1.034 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.699 0.335 3.088 1.00 0.00 H new ATOM 509 N ILE A 42 -3.663 2.521 1.837 1.00 0.00 N ATOM 510 CA ILE A 42 -3.509 3.316 3.047 1.00 0.00 C ATOM 511 C ILE A 42 -4.844 3.862 3.521 1.00 0.00 C ATOM 512 O ILE A 42 -5.834 3.846 2.789 1.00 0.00 O ATOM 513 CB ILE A 42 -2.522 4.488 2.864 1.00 0.00 C ATOM 514 CG1 ILE A 42 -1.472 4.156 1.806 1.00 0.00 C ATOM 515 CG2 ILE A 42 -1.846 4.801 4.187 1.00 0.00 C ATOM 516 CD1 ILE A 42 -0.569 3.018 2.214 1.00 0.00 C ATOM 0 H ILE A 42 -3.840 3.061 0.990 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.102 2.640 3.799 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.081 5.361 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.972 3.900 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.867 5.042 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.150 5.629 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.600 5.076 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.302 3.923 4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.156 2.828 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.044 3.281 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.166 2.122 2.382 1.00 0.00 H new ATOM 528 N GLY A 43 -4.860 4.342 4.755 1.00 0.00 N ATOM 529 CA GLY A 43 -6.078 4.880 5.323 1.00 0.00 C ATOM 530 C GLY A 43 -7.104 3.803 5.608 1.00 0.00 C ATOM 531 O GLY A 43 -6.825 2.844 6.327 1.00 0.00 O ATOM 0 H GLY A 43 -4.050 4.369 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.843 5.408 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.504 5.612 4.637 1.00 0.00 H new ATOM 535 N GLU A 44 -8.289 3.952 5.029 1.00 0.00 N ATOM 536 CA GLU A 44 -9.367 2.996 5.239 1.00 0.00 C ATOM 537 C GLU A 44 -9.214 1.766 4.366 1.00 0.00 C ATOM 538 O GLU A 44 -8.357 1.712 3.487 1.00 0.00 O ATOM 539 CB GLU A 44 -10.710 3.645 4.948 1.00 0.00 C ATOM 540 CG GLU A 44 -11.287 4.363 6.143 1.00 0.00 C ATOM 541 CD GLU A 44 -12.700 3.926 6.472 1.00 0.00 C ATOM 542 OE1 GLU A 44 -13.125 2.860 5.977 1.00 0.00 O ATOM 543 OE2 GLU A 44 -13.383 4.648 7.228 1.00 0.00 O ATOM 0 H GLU A 44 -8.527 4.727 4.410 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.318 2.684 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.596 4.352 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.413 2.881 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.648 4.188 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.280 5.436 5.953 1.00 0.00 H new ATOM 550 N SER A 45 -10.099 0.805 4.587 1.00 0.00 N ATOM 551 CA SER A 45 -10.092 -0.436 3.842 1.00 0.00 C ATOM 552 C SER A 45 -11.465 -1.096 3.845 1.00 0.00 C ATOM 553 O SER A 45 -11.580 -2.294 3.591 1.00 0.00 O ATOM 554 CB SER A 45 -9.084 -1.387 4.467 1.00 0.00 C ATOM 555 OG SER A 45 -9.174 -1.369 5.881 1.00 0.00 O ATOM 0 H SER A 45 -10.838 0.867 5.287 1.00 0.00 H new ATOM 0 HA SER A 45 -9.822 -0.212 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.259 -2.399 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.076 -1.107 4.160 1.00 0.00 H new ATOM 0 HG SER A 45 -8.517 -1.990 6.259 1.00 0.00 H new ATOM 561 N LYS A 46 -12.503 -0.322 4.145 1.00 0.00 N ATOM 562 CA LYS A 46 -13.851 -0.868 4.220 1.00 0.00 C ATOM 563 C LYS A 46 -14.918 0.217 4.088 1.00 0.00 C ATOM 564 O LYS A 46 -14.704 1.368 4.469 1.00 0.00 O ATOM 565 CB LYS A 46 -14.031 -1.597 5.552 1.00 0.00 C ATOM 566 CG LYS A 46 -13.823 -3.099 5.467 1.00 0.00 C ATOM 567 CD LYS A 46 -13.166 -3.641 6.726 1.00 0.00 C ATOM 568 CE LYS A 46 -14.178 -4.323 7.631 1.00 0.00 C ATOM 569 NZ LYS A 46 -13.533 -4.947 8.819 1.00 0.00 N ATOM 0 H LYS A 46 -12.437 0.677 4.339 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.975 -1.560 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.331 -1.184 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.034 -1.400 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.783 -3.593 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.203 -3.333 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.384 -4.350 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.684 -2.826 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.918 -3.594 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.713 -5.086 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.259 -5.401 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.845 -5.661 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.044 -4.215 9.373 1.00 0.00 H new ATOM 583 N SER A 47 -16.082 -0.179 3.576 1.00 0.00 N ATOM 584 CA SER A 47 -17.219 0.726 3.424 1.00 0.00 C ATOM 585 C SER A 47 -18.410 0.197 4.196 1.00 0.00 C ATOM 586 O SER A 47 -18.538 -1.012 4.381 1.00 0.00 O ATOM 587 CB SER A 47 -17.598 0.867 1.946 1.00 0.00 C ATOM 588 OG SER A 47 -17.441 2.197 1.498 1.00 0.00 O ATOM 0 H SER A 47 -16.263 -1.131 3.257 1.00 0.00 H new ATOM 0 HA SER A 47 -16.934 1.703 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.977 0.203 1.345 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.632 0.553 1.802 1.00 0.00 H new ATOM 0 HG SER A 47 -17.376 2.797 2.270 1.00 0.00 H new ATOM 594 N TYR A 48 -19.299 1.083 4.634 1.00 0.00 N ATOM 595 CA TYR A 48 -20.472 0.610 5.379 1.00 0.00 C ATOM 596 C TYR A 48 -21.766 1.210 4.853 1.00 0.00 C ATOM 597 O TYR A 48 -21.999 2.415 4.939 1.00 0.00 O ATOM 598 CB TYR A 48 -20.327 0.859 6.884 1.00 0.00 C ATOM 599 CG TYR A 48 -18.894 0.841 7.349 1.00 0.00 C ATOM 600 CD1 TYR A 48 -18.311 1.957 7.928 1.00 0.00 C ATOM 601 CD2 TYR A 48 -18.116 -0.290 7.168 1.00 0.00 C ATOM 602 CE1 TYR A 48 -16.993 1.941 8.337 1.00 0.00 C ATOM 603 CE2 TYR A 48 -16.797 -0.319 7.574 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.238 0.800 8.158 1.00 0.00 C ATOM 605 OH TYR A 48 -14.924 0.777 8.564 1.00 0.00 O ATOM 0 H TYR A 48 -19.241 2.092 4.497 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.524 -0.467 5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -20.771 1.823 7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -20.889 0.100 7.428 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.898 2.854 8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.548 -1.163 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.555 2.816 8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.206 -1.212 7.436 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.536 -0.101 8.367 1.00 0.00 H new ATOM 615 N CYS A 49 -22.610 0.337 4.318 1.00 0.00 N ATOM 616 CA CYS A 49 -23.901 0.740 3.776 1.00 0.00 C ATOM 617 C CYS A 49 -24.815 1.252 4.882 1.00 0.00 C ATOM 618 O CYS A 49 -25.295 0.479 5.711 1.00 0.00 O ATOM 619 CB CYS A 49 -24.564 -0.441 3.061 1.00 0.00 C ATOM 620 SG CYS A 49 -26.277 -0.127 2.527 1.00 0.00 S ATOM 0 H CYS A 49 -22.421 -0.663 4.248 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.735 1.546 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.966 -0.705 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.555 -1.305 3.726 1.00 0.00 H new ATOM 625 N GLU A 50 -25.055 2.558 4.889 1.00 0.00 N ATOM 626 CA GLU A 50 -25.914 3.164 5.899 1.00 0.00 C ATOM 627 C GLU A 50 -26.918 4.120 5.266 1.00 0.00 C ATOM 628 O GLU A 50 -27.024 4.208 4.042 1.00 0.00 O ATOM 629 CB GLU A 50 -25.072 3.905 6.939 1.00 0.00 C ATOM 630 CG GLU A 50 -25.213 3.342 8.344 1.00 0.00 C ATOM 631 CD GLU A 50 -23.876 3.129 9.026 1.00 0.00 C ATOM 632 OE1 GLU A 50 -23.788 2.236 9.895 1.00 0.00 O ATOM 633 OE2 GLU A 50 -22.917 3.857 8.694 1.00 0.00 O ATOM 0 H GLU A 50 -24.669 3.215 4.210 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.467 2.364 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.024 3.864 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.360 4.956 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.818 4.021 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.748 2.394 8.299 1.00 0.00 H new ATOM 640 N LEU A 51 -27.658 4.831 6.111 1.00 0.00 N ATOM 641 CA LEU A 51 -28.667 5.772 5.642 1.00 0.00 C ATOM 642 C LEU A 51 -28.055 7.134 5.344 1.00 0.00 C ATOM 643 O LEU A 51 -26.965 7.456 5.816 1.00 0.00 O ATOM 644 CB LEU A 51 -29.774 5.918 6.685 1.00 0.00 C ATOM 645 CG LEU A 51 -30.956 4.970 6.499 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.768 4.868 7.782 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.832 5.431 5.343 1.00 0.00 C ATOM 0 H LEU A 51 -27.577 4.772 7.126 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.090 5.378 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -29.346 5.754 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.142 6.944 6.663 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.569 3.979 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -32.606 4.188 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.135 4.489 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -32.146 5.854 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -32.670 4.744 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -32.210 6.432 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.244 5.448 4.425 1.00 0.00 H new ATOM 709 N MET A 57 -30.105 6.503 0.923 1.00 0.00 N ATOM 710 CA MET A 57 -29.134 5.415 0.921 1.00 0.00 C ATOM 711 C MET A 57 -27.744 5.930 0.560 1.00 0.00 C ATOM 712 O MET A 57 -27.558 6.565 -0.478 1.00 0.00 O ATOM 713 CB MET A 57 -29.550 4.319 -0.069 1.00 0.00 C ATOM 714 CG MET A 57 -31.039 4.293 -0.385 1.00 0.00 C ATOM 715 SD MET A 57 -31.421 5.020 -1.990 1.00 0.00 S ATOM 716 CE MET A 57 -33.136 5.480 -1.754 1.00 0.00 C ATOM 0 HA MET A 57 -29.104 4.993 1.926 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.996 4.455 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.260 3.350 0.337 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.393 3.262 -0.364 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.581 4.832 0.392 1.00 0.00 H new ATOM 0 HE1 MET A 57 -33.517 5.945 -2.664 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.724 4.590 -1.528 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.213 6.186 -0.927 1.00 0.00 H new ATOM 726 N VAL A 58 -26.771 5.648 1.419 1.00 0.00 N ATOM 727 CA VAL A 58 -25.398 6.074 1.185 1.00 0.00 C ATOM 728 C VAL A 58 -24.414 4.993 1.614 1.00 0.00 C ATOM 729 O VAL A 58 -24.814 3.910 2.042 1.00 0.00 O ATOM 730 CB VAL A 58 -25.075 7.376 1.933 1.00 0.00 C ATOM 731 CG1 VAL A 58 -25.844 8.543 1.334 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.384 7.225 3.409 1.00 0.00 C ATOM 0 H VAL A 58 -26.909 5.126 2.284 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.298 6.252 0.114 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.010 7.584 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.601 9.456 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.568 8.661 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.914 8.350 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.150 8.155 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.441 6.994 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.783 6.417 3.826 1.00 0.00 H new ATOM 742 N TRP A 59 -23.125 5.294 1.506 1.00 0.00 N ATOM 743 CA TRP A 59 -22.089 4.335 1.863 1.00 0.00 C ATOM 744 C TRP A 59 -21.025 4.960 2.755 1.00 0.00 C ATOM 745 O TRP A 59 -20.489 6.024 2.444 1.00 0.00 O ATOM 746 CB TRP A 59 -21.423 3.795 0.599 1.00 0.00 C ATOM 747 CG TRP A 59 -22.190 2.695 -0.059 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.098 2.821 -1.070 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.106 1.298 0.237 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.587 1.586 -1.420 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.994 0.635 -0.630 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.368 0.543 1.154 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -23.160 -0.747 -0.605 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.534 -0.827 1.174 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.423 -1.457 0.302 1.00 0.00 C ATOM 0 H TRP A 59 -22.774 6.193 1.175 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.568 3.526 2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.295 4.612 -0.111 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.427 3.432 0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.389 3.755 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.278 1.406 -2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.680 1.023 1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.846 -1.240 -1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.967 -1.421 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.531 -2.531 0.345 1.00 0.00 H new ATOM 766 N ASN A 60 -20.689 4.273 3.842 1.00 0.00 N ATOM 767 CA ASN A 60 -19.625 4.731 4.722 1.00 0.00 C ATOM 768 C ASN A 60 -18.295 4.576 4.008 1.00 0.00 C ATOM 769 O ASN A 60 -18.239 3.895 2.990 1.00 0.00 O ATOM 770 CB ASN A 60 -19.632 3.951 6.026 1.00 0.00 C ATOM 771 CG ASN A 60 -20.354 4.686 7.130 1.00 0.00 C ATOM 772 OD1 ASN A 60 -19.862 4.785 8.254 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.515 5.228 6.811 1.00 0.00 N ATOM 0 H ASN A 60 -21.136 3.403 4.132 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.784 5.781 4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.108 2.983 5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.605 3.754 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.041 5.754 7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.886 5.121 5.867 1.00 0.00 H new ATOM 780 N PRO A 61 -17.240 5.265 4.499 1.00 0.00 N ATOM 781 CA PRO A 61 -15.895 5.281 3.939 1.00 0.00 C ATOM 782 C PRO A 61 -15.651 4.293 2.803 1.00 0.00 C ATOM 783 O PRO A 61 -15.590 3.085 3.003 1.00 0.00 O ATOM 784 CB PRO A 61 -15.089 4.973 5.181 1.00 0.00 C ATOM 785 CG PRO A 61 -15.834 5.677 6.288 1.00 0.00 C ATOM 786 CD PRO A 61 -17.216 6.008 5.752 1.00 0.00 C ATOM 0 HA PRO A 61 -15.645 6.217 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.029 3.900 5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.066 5.339 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.905 5.041 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.310 6.584 6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.005 5.687 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.347 7.079 5.594 1.00 0.00 H new ATOM 794 N GLU A 62 -15.498 4.846 1.603 1.00 0.00 N ATOM 795 CA GLU A 62 -15.336 4.051 0.393 1.00 0.00 C ATOM 796 C GLU A 62 -13.862 3.905 -0.023 1.00 0.00 C ATOM 797 O GLU A 62 -13.091 3.249 0.675 1.00 0.00 O ATOM 798 CB GLU A 62 -16.182 4.663 -0.726 1.00 0.00 C ATOM 799 CG GLU A 62 -17.674 4.489 -0.525 1.00 0.00 C ATOM 800 CD GLU A 62 -18.466 5.704 -0.967 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.079 6.832 -0.598 1.00 0.00 O ATOM 802 OE2 GLU A 62 -19.474 5.526 -1.684 1.00 0.00 O ATOM 0 H GLU A 62 -15.483 5.853 1.444 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.686 3.039 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.956 5.727 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.897 4.209 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.013 3.616 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.875 4.292 0.528 1.00 0.00 H new ATOM 809 N ALA A 63 -13.476 4.482 -1.169 1.00 0.00 N ATOM 810 CA ALA A 63 -12.121 4.331 -1.686 1.00 0.00 C ATOM 811 C ALA A 63 -11.091 5.062 -0.829 1.00 0.00 C ATOM 812 O ALA A 63 -11.002 6.290 -0.865 1.00 0.00 O ATOM 813 CB ALA A 63 -12.054 4.839 -3.118 1.00 0.00 C ATOM 0 H ALA A 63 -14.087 5.056 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.877 3.269 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.039 4.723 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.742 4.266 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.333 5.892 -3.144 1.00 0.00 H new ATOM 819 N PRO A 64 -10.269 4.314 -0.069 1.00 0.00 N ATOM 820 CA PRO A 64 -9.199 4.884 0.736 1.00 0.00 C ATOM 821 C PRO A 64 -7.971 5.154 -0.130 1.00 0.00 C ATOM 822 O PRO A 64 -8.100 5.337 -1.340 1.00 0.00 O ATOM 823 CB PRO A 64 -8.922 3.800 1.793 1.00 0.00 C ATOM 824 CG PRO A 64 -9.776 2.624 1.422 1.00 0.00 C ATOM 825 CD PRO A 64 -10.259 2.855 0.019 1.00 0.00 C ATOM 0 HA PRO A 64 -9.458 5.841 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.867 3.527 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.168 4.159 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.205 1.698 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.617 2.527 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.594 2.407 -0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.249 2.431 -0.146 1.00 0.00 H new ATOM 833 N ILE A 65 -6.782 5.162 0.463 1.00 0.00 N ATOM 834 CA ILE A 65 -5.571 5.415 -0.313 1.00 0.00 C ATOM 835 C ILE A 65 -5.029 4.137 -0.937 1.00 0.00 C ATOM 836 O ILE A 65 -5.508 3.038 -0.662 1.00 0.00 O ATOM 837 CB ILE A 65 -4.444 6.062 0.507 1.00 0.00 C ATOM 838 CG1 ILE A 65 -4.986 6.761 1.760 1.00 0.00 C ATOM 839 CG2 ILE A 65 -3.671 7.040 -0.367 1.00 0.00 C ATOM 840 CD1 ILE A 65 -3.956 7.619 2.459 1.00 0.00 C ATOM 0 H ILE A 65 -6.630 5.000 1.459 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.879 6.116 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.770 5.275 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.837 7.382 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.355 6.008 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.872 7.497 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.241 6.508 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.346 7.816 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.405 8.084 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.115 6.999 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.605 8.394 1.777 1.00 0.00 H new ATOM 852 N CYS A 66 -4.046 4.308 -1.811 1.00 0.00 N ATOM 853 CA CYS A 66 -3.412 3.192 -2.496 1.00 0.00 C ATOM 854 C CYS A 66 -2.203 3.681 -3.282 1.00 0.00 C ATOM 855 O CYS A 66 -2.241 4.754 -3.885 1.00 0.00 O ATOM 856 CB CYS A 66 -4.405 2.510 -3.436 1.00 0.00 C ATOM 857 SG CYS A 66 -4.952 0.864 -2.876 1.00 0.00 S ATOM 0 H CYS A 66 -3.668 5.221 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.083 2.468 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.279 3.151 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.948 2.413 -4.421 1.00 0.00 H new ATOM 862 N GLU A 67 -1.138 2.893 -3.293 1.00 0.00 N ATOM 863 CA GLU A 67 0.074 3.281 -4.000 1.00 0.00 C ATOM 864 C GLU A 67 1.060 2.119 -4.084 1.00 0.00 C ATOM 865 O GLU A 67 0.885 1.096 -3.425 1.00 0.00 O ATOM 866 CB GLU A 67 0.714 4.474 -3.285 1.00 0.00 C ATOM 867 CG GLU A 67 1.945 5.027 -3.984 1.00 0.00 C ATOM 868 CD GLU A 67 2.346 6.394 -3.465 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.817 7.402 -3.979 1.00 0.00 O ATOM 870 OE2 GLU A 67 3.190 6.457 -2.547 1.00 0.00 O ATOM 0 H GLU A 67 -1.088 1.988 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.189 3.563 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.026 5.269 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.987 4.174 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.776 4.334 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.752 5.091 -5.055 1.00 0.00 H new ATOM 877 N SER A 68 2.086 2.272 -4.915 1.00 0.00 N ATOM 878 CA SER A 68 3.107 1.244 -5.057 1.00 0.00 C ATOM 879 C SER A 68 4.069 1.291 -3.879 1.00 0.00 C ATOM 880 O SER A 68 4.691 2.320 -3.615 1.00 0.00 O ATOM 881 CB SER A 68 3.874 1.426 -6.369 1.00 0.00 C ATOM 882 OG SER A 68 5.014 2.249 -6.187 1.00 0.00 O ATOM 0 H SER A 68 2.231 3.096 -5.498 1.00 0.00 H new ATOM 0 HA SER A 68 2.616 0.271 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.182 0.453 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.218 1.869 -7.118 1.00 0.00 H new ATOM 0 HG SER A 68 4.927 2.748 -5.348 1.00 0.00 H new ATOM 888 N VAL A 69 4.176 0.173 -3.164 1.00 0.00 N ATOM 889 CA VAL A 69 5.055 0.077 -2.000 1.00 0.00 C ATOM 890 C VAL A 69 6.386 0.783 -2.242 1.00 0.00 C ATOM 891 O VAL A 69 7.299 0.228 -2.853 1.00 0.00 O ATOM 892 CB VAL A 69 5.325 -1.387 -1.625 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.573 -2.215 -2.871 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.173 -1.957 -0.818 1.00 0.00 C ATOM 0 H VAL A 69 3.662 -0.683 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 69 4.537 0.570 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 69 6.221 -1.424 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.763 -3.250 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.697 -2.170 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.438 -1.820 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.386 -2.995 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.048 -1.377 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.257 -1.908 -1.407 1.00 0.00 H new ATOM 904 N LYS A 70 6.470 2.020 -1.772 1.00 0.00 N ATOM 905 CA LYS A 70 7.659 2.836 -1.962 1.00 0.00 C ATOM 906 C LYS A 70 8.621 2.690 -0.787 1.00 0.00 C ATOM 907 O LYS A 70 8.236 2.840 0.373 1.00 0.00 O ATOM 908 CB LYS A 70 7.234 4.290 -2.170 1.00 0.00 C ATOM 909 CG LYS A 70 8.287 5.335 -1.897 1.00 0.00 C ATOM 910 CD LYS A 70 8.036 6.557 -2.759 1.00 0.00 C ATOM 911 CE LYS A 70 8.817 6.494 -4.062 1.00 0.00 C ATOM 912 NZ LYS A 70 7.935 6.682 -5.247 1.00 0.00 N ATOM 0 H LYS A 70 5.723 2.482 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 70 8.197 2.496 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.896 4.405 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.376 4.492 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.271 5.613 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.277 4.929 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.971 6.637 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.317 7.455 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.590 7.262 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.324 5.532 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.493 6.565 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.172 5.976 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.523 7.637 -5.225 1.00 0.00 H new ATOM 926 N CYS A 71 9.871 2.376 -1.105 1.00 0.00 N ATOM 927 CA CYS A 71 10.902 2.181 -0.087 1.00 0.00 C ATOM 928 C CYS A 71 11.780 3.416 0.043 1.00 0.00 C ATOM 929 O CYS A 71 12.271 3.949 -0.949 1.00 0.00 O ATOM 930 CB CYS A 71 11.788 0.965 -0.406 1.00 0.00 C ATOM 931 SG CYS A 71 11.165 -0.144 -1.718 1.00 0.00 S ATOM 0 H CYS A 71 10.198 2.250 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 71 10.385 2.003 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.775 1.324 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.917 0.383 0.506 1.00 0.00 H new ATOM 936 N GLN A 72 11.994 3.849 1.278 1.00 0.00 N ATOM 937 CA GLN A 72 12.828 5.010 1.542 1.00 0.00 C ATOM 938 C GLN A 72 14.304 4.656 1.391 1.00 0.00 C ATOM 939 O GLN A 72 14.648 3.664 0.748 1.00 0.00 O ATOM 940 CB GLN A 72 12.546 5.548 2.947 1.00 0.00 C ATOM 941 CG GLN A 72 13.064 4.657 4.064 1.00 0.00 C ATOM 942 CD GLN A 72 12.093 3.550 4.425 1.00 0.00 C ATOM 943 OE1 GLN A 72 10.960 3.810 4.830 1.00 0.00 O ATOM 944 NE2 GLN A 72 12.532 2.306 4.278 1.00 0.00 N ATOM 0 H GLN A 72 11.601 3.413 2.112 1.00 0.00 H new ATOM 0 HA GLN A 72 12.589 5.786 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.997 6.535 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.470 5.676 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.014 4.217 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.261 5.265 4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.479 2.136 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.922 1.520 4.504 1.00 0.00 H new ATOM 953 N SER A 73 15.173 5.463 1.992 1.00 0.00 N ATOM 954 CA SER A 73 16.611 5.227 1.917 1.00 0.00 C ATOM 955 C SER A 73 16.946 3.769 2.239 1.00 0.00 C ATOM 956 O SER A 73 16.397 3.194 3.178 1.00 0.00 O ATOM 957 CB SER A 73 17.347 6.156 2.882 1.00 0.00 C ATOM 958 OG SER A 73 18.587 5.600 3.284 1.00 0.00 O ATOM 0 H SER A 73 14.907 6.284 2.535 1.00 0.00 H new ATOM 0 HA SER A 73 16.936 5.436 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.516 7.121 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.726 6.339 3.759 1.00 0.00 H new ATOM 0 HG SER A 73 19.313 6.021 2.779 1.00 0.00 H new ATOM 964 N PRO A 74 17.855 3.150 1.463 1.00 0.00 N ATOM 965 CA PRO A 74 18.250 1.754 1.678 1.00 0.00 C ATOM 966 C PRO A 74 18.868 1.534 3.059 1.00 0.00 C ATOM 967 O PRO A 74 19.333 2.478 3.699 1.00 0.00 O ATOM 968 CB PRO A 74 19.281 1.482 0.574 1.00 0.00 C ATOM 969 CG PRO A 74 19.076 2.562 -0.433 1.00 0.00 C ATOM 970 CD PRO A 74 18.560 3.754 0.321 1.00 0.00 C ATOM 0 HA PRO A 74 17.392 1.083 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.296 1.502 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.131 0.498 0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.010 2.800 -0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.366 2.249 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.370 4.406 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.891 4.359 -0.291 1.00 0.00 H new ATOM 978 N PRO A 75 18.870 0.278 3.541 1.00 0.00 N ATOM 979 CA PRO A 75 19.408 -0.070 4.860 1.00 0.00 C ATOM 980 C PRO A 75 20.751 0.587 5.155 1.00 0.00 C ATOM 981 O PRO A 75 21.464 1.015 4.248 1.00 0.00 O ATOM 982 CB PRO A 75 19.561 -1.587 4.780 1.00 0.00 C ATOM 983 CG PRO A 75 18.493 -2.021 3.836 1.00 0.00 C ATOM 984 CD PRO A 75 18.322 -0.902 2.842 1.00 0.00 C ATOM 0 HA PRO A 75 18.757 0.274 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.550 -1.867 4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.438 -2.050 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.772 -2.947 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.561 -2.215 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.860 -1.104 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.274 -0.759 2.577 1.00 0.00 H new ATOM 992 N SER A 76 21.084 0.663 6.438 1.00 0.00 N ATOM 993 CA SER A 76 22.343 1.251 6.871 1.00 0.00 C ATOM 994 C SER A 76 23.288 0.171 7.386 1.00 0.00 C ATOM 995 O SER A 76 23.262 -0.180 8.566 1.00 0.00 O ATOM 996 CB SER A 76 22.096 2.292 7.965 1.00 0.00 C ATOM 997 OG SER A 76 21.635 3.512 7.412 1.00 0.00 O ATOM 0 H SER A 76 20.496 0.323 7.199 1.00 0.00 H new ATOM 0 HA SER A 76 22.805 1.741 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.362 1.911 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.017 2.466 8.521 1.00 0.00 H new ATOM 0 HG SER A 76 21.483 4.160 8.131 1.00 0.00 H new ATOM 1003 N ILE A 77 24.136 -0.335 6.500 1.00 0.00 N ATOM 1004 CA ILE A 77 25.078 -1.390 6.862 1.00 0.00 C ATOM 1005 C ILE A 77 26.143 -0.874 7.819 1.00 0.00 C ATOM 1006 O ILE A 77 26.199 0.319 8.120 1.00 0.00 O ATOM 1007 CB ILE A 77 25.776 -1.984 5.621 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.666 -0.936 4.945 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.748 -2.522 4.641 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.704 -1.534 4.020 1.00 0.00 C ATOM 0 H ILE A 77 24.192 -0.034 5.527 1.00 0.00 H new ATOM 0 HA ILE A 77 24.494 -2.170 7.350 1.00 0.00 H new ATOM 0 HB ILE A 77 26.409 -2.809 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.038 -0.248 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.170 -0.349 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.257 -2.937 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.159 -3.302 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.089 -1.713 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.299 -0.736 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.356 -2.200 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.206 -2.098 3.231 1.00 0.00 H new ATOM 1022 N SER A 78 26.991 -1.781 8.287 1.00 0.00 N ATOM 1023 CA SER A 78 28.062 -1.422 9.204 1.00 0.00 C ATOM 1024 C SER A 78 29.356 -1.152 8.448 1.00 0.00 C ATOM 1025 O SER A 78 29.715 -1.883 7.525 1.00 0.00 O ATOM 1026 CB SER A 78 28.280 -2.534 10.229 1.00 0.00 C ATOM 1027 OG SER A 78 28.096 -3.812 9.645 1.00 0.00 O ATOM 0 H SER A 78 26.957 -2.771 8.046 1.00 0.00 H new ATOM 0 HA SER A 78 27.769 -0.511 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.287 -2.461 10.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 27.586 -2.408 11.060 1.00 0.00 H new ATOM 0 HG SER A 78 28.243 -4.505 10.322 1.00 0.00 H new ATOM 1033 N ASN A 79 30.052 -0.097 8.851 1.00 0.00 N ATOM 1034 CA ASN A 79 31.316 0.274 8.224 1.00 0.00 C ATOM 1035 C ASN A 79 31.092 0.766 6.802 1.00 0.00 C ATOM 1036 O ASN A 79 31.980 0.669 5.955 1.00 0.00 O ATOM 1037 CB ASN A 79 32.300 -0.906 8.213 1.00 0.00 C ATOM 1038 CG ASN A 79 32.039 -1.924 9.296 1.00 0.00 C ATOM 1039 OD1 ASN A 79 31.635 -1.450 10.458 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 32.204 -3.126 9.089 1.00 0.00 N flip ATOM 0 H ASN A 79 29.763 0.519 9.611 1.00 0.00 H new ATOM 0 HA ASN A 79 31.747 1.081 8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.250 -1.400 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.314 -0.523 8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 79 32.518 -3.447 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.027 -3.801 9.833 1.00 0.00 H new ATOM 1047 N GLY A 80 29.904 1.301 6.545 1.00 0.00 N ATOM 1048 CA GLY A 80 29.600 1.803 5.219 1.00 0.00 C ATOM 1049 C GLY A 80 28.285 2.552 5.151 1.00 0.00 C ATOM 1050 O GLY A 80 27.728 2.946 6.176 1.00 0.00 O ATOM 0 H GLY A 80 29.151 1.396 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.404 2.464 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.572 0.968 4.519 1.00 0.00 H new ATOM 1054 N ARG A 81 27.800 2.760 3.932 1.00 0.00 N ATOM 1055 CA ARG A 81 26.555 3.482 3.710 1.00 0.00 C ATOM 1056 C ARG A 81 26.013 3.203 2.318 1.00 0.00 C ATOM 1057 O ARG A 81 26.568 2.397 1.570 1.00 0.00 O ATOM 1058 CB ARG A 81 26.777 4.988 3.877 1.00 0.00 C ATOM 1059 CG ARG A 81 28.058 5.492 3.230 1.00 0.00 C ATOM 1060 CD ARG A 81 28.637 6.678 3.985 1.00 0.00 C ATOM 1061 NE ARG A 81 30.033 6.919 3.633 1.00 0.00 N ATOM 1062 CZ ARG A 81 30.421 7.406 2.459 1.00 0.00 C ATOM 1063 NH1 ARG A 81 29.521 7.703 1.532 1.00 0.00 N ATOM 1064 NH2 ARG A 81 31.710 7.596 2.212 1.00 0.00 N ATOM 0 H ARG A 81 28.254 2.436 3.078 1.00 0.00 H new ATOM 0 HA ARG A 81 25.830 3.139 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 81 25.929 5.521 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.799 5.228 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.792 4.687 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 81 27.856 5.780 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.049 7.569 3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 81 28.559 6.499 5.057 1.00 0.00 H new ATOM 0 HE ARG A 81 30.750 6.702 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 81 28.529 7.558 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 81 29.821 8.077 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.405 7.368 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 81 32.007 7.970 1.311 1.00 0.00 H new ATOM 1078 N HIS A 82 24.935 3.889 1.973 1.00 0.00 N ATOM 1079 CA HIS A 82 24.322 3.737 0.662 1.00 0.00 C ATOM 1080 C HIS A 82 24.508 5.001 -0.170 1.00 0.00 C ATOM 1081 O HIS A 82 24.943 6.033 0.340 1.00 0.00 O ATOM 1082 CB HIS A 82 22.834 3.420 0.802 1.00 0.00 C ATOM 1083 CG HIS A 82 22.105 4.366 1.703 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.922 4.132 3.050 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.517 5.559 1.447 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.251 5.137 3.583 1.00 0.00 C ATOM 1087 NE2 HIS A 82 20.994 6.016 2.632 1.00 0.00 N ATOM 0 H HIS A 82 24.465 4.558 2.583 1.00 0.00 H new ATOM 0 HA HIS A 82 24.814 2.908 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.372 3.441 -0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.721 2.406 1.185 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.253 3.311 3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.468 6.058 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.962 5.225 4.620 1.00 0.00 H new ATOM 1096 N ASN A 83 24.184 4.910 -1.454 1.00 0.00 N ATOM 1097 CA ASN A 83 24.313 6.050 -2.354 1.00 0.00 C ATOM 1098 C ASN A 83 22.960 6.714 -2.580 1.00 0.00 C ATOM 1099 O ASN A 83 22.617 7.689 -1.912 1.00 0.00 O ATOM 1100 CB ASN A 83 24.911 5.606 -3.691 1.00 0.00 C ATOM 1101 CG ASN A 83 26.382 5.259 -3.580 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.010 5.486 -2.546 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.941 4.704 -4.650 1.00 0.00 N ATOM 0 H ASN A 83 23.831 4.061 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 83 24.982 6.776 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.363 4.739 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.783 6.401 -4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.928 4.448 -4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.383 4.534 -5.487 1.00 0.00 H new ATOM 1165 N PHE A 88 13.140 8.528 -2.033 1.00 0.00 N ATOM 1166 CA PHE A 88 12.370 7.300 -1.910 1.00 0.00 C ATOM 1167 C PHE A 88 12.657 6.352 -3.069 1.00 0.00 C ATOM 1168 O PHE A 88 13.523 6.621 -3.902 1.00 0.00 O ATOM 1169 CB PHE A 88 10.882 7.612 -1.858 1.00 0.00 C ATOM 1170 CG PHE A 88 10.378 7.944 -0.488 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.385 9.249 -0.026 1.00 0.00 C ATOM 1172 CD2 PHE A 88 9.879 6.948 0.332 1.00 0.00 C ATOM 1173 CE1 PHE A 88 9.911 9.552 1.235 1.00 0.00 C ATOM 1174 CE2 PHE A 88 9.404 7.243 1.591 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.420 8.547 2.046 1.00 0.00 C ATOM 0 HA PHE A 88 12.668 6.811 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.673 8.449 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.328 6.755 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.765 10.038 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.862 5.927 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.924 10.573 1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.019 6.455 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.050 8.780 3.033 1.00 0.00 H new ATOM 1185 N TYR A 89 11.954 5.221 -3.097 1.00 0.00 N ATOM 1186 CA TYR A 89 12.162 4.215 -4.132 1.00 0.00 C ATOM 1187 C TYR A 89 10.922 3.341 -4.281 1.00 0.00 C ATOM 1188 O TYR A 89 10.041 3.361 -3.425 1.00 0.00 O ATOM 1189 CB TYR A 89 13.380 3.350 -3.785 1.00 0.00 C ATOM 1190 CG TYR A 89 14.678 4.127 -3.723 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.538 4.166 -4.812 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.044 4.817 -2.573 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.722 4.876 -4.761 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.223 5.536 -2.516 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.059 5.559 -3.612 1.00 0.00 C ATOM 1196 OH TYR A 89 18.237 6.267 -3.558 1.00 0.00 O ATOM 0 H TYR A 89 11.236 4.980 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 89 12.345 4.721 -5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.209 2.867 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.476 2.558 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.277 3.632 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.396 4.791 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.380 4.896 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.488 6.076 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 89 18.324 6.691 -2.679 1.00 0.00 H new ATOM 1206 N THR A 90 10.849 2.583 -5.370 1.00 0.00 N ATOM 1207 CA THR A 90 9.693 1.726 -5.618 1.00 0.00 C ATOM 1208 C THR A 90 10.110 0.346 -6.116 1.00 0.00 C ATOM 1209 O THR A 90 11.297 0.032 -6.197 1.00 0.00 O ATOM 1210 CB THR A 90 8.759 2.388 -6.631 1.00 0.00 C ATOM 1211 OG1 THR A 90 9.493 2.908 -7.725 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.950 3.519 -6.037 1.00 0.00 C ATOM 0 H THR A 90 11.570 2.544 -6.090 1.00 0.00 H new ATOM 0 HA THR A 90 9.169 1.593 -4.672 1.00 0.00 H new ATOM 0 HB THR A 90 8.076 1.604 -6.957 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.877 3.326 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.307 3.949 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.336 3.138 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.623 4.287 -5.656 1.00 0.00 H new ATOM 1220 N ASP A 91 9.115 -0.477 -6.439 1.00 0.00 N ATOM 1221 CA ASP A 91 9.356 -1.830 -6.916 1.00 0.00 C ATOM 1222 C ASP A 91 10.113 -1.823 -8.230 1.00 0.00 C ATOM 1223 O ASP A 91 9.528 -1.687 -9.305 1.00 0.00 O ATOM 1224 CB ASP A 91 8.036 -2.583 -7.080 1.00 0.00 C ATOM 1225 CG ASP A 91 7.170 -2.512 -5.837 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.168 -3.255 -5.769 1.00 0.00 O ATOM 1227 OD2 ASP A 91 7.494 -1.715 -4.932 1.00 0.00 O ATOM 0 H ASP A 91 8.129 -0.225 -6.377 1.00 0.00 H new ATOM 0 HA ASP A 91 9.967 -2.340 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.487 -2.168 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.243 -3.627 -7.316 1.00 0.00 H new ATOM 1232 N GLY A 92 11.420 -1.984 -8.129 1.00 0.00 N ATOM 1233 CA GLY A 92 12.258 -2.025 -9.308 1.00 0.00 C ATOM 1234 C GLY A 92 13.382 -1.007 -9.273 1.00 0.00 C ATOM 1235 O GLY A 92 13.862 -0.573 -10.320 1.00 0.00 O ATOM 0 H GLY A 92 11.920 -2.088 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.683 -3.024 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.643 -1.848 -10.190 1.00 0.00 H new ATOM 1239 N SER A 93 13.807 -0.625 -8.072 1.00 0.00 N ATOM 1240 CA SER A 93 14.892 0.339 -7.926 1.00 0.00 C ATOM 1241 C SER A 93 16.145 -0.335 -7.379 1.00 0.00 C ATOM 1242 O SER A 93 16.082 -1.438 -6.837 1.00 0.00 O ATOM 1243 CB SER A 93 14.472 1.485 -7.003 1.00 0.00 C ATOM 1244 OG SER A 93 13.061 1.559 -6.890 1.00 0.00 O ATOM 0 H SER A 93 13.420 -0.966 -7.192 1.00 0.00 H new ATOM 0 HA SER A 93 15.117 0.744 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.912 1.341 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.859 2.428 -7.390 1.00 0.00 H new ATOM 0 HG SER A 93 12.733 0.791 -6.378 1.00 0.00 H new ATOM 1250 N VAL A 94 17.285 0.331 -7.527 1.00 0.00 N ATOM 1251 CA VAL A 94 18.549 -0.207 -7.044 1.00 0.00 C ATOM 1252 C VAL A 94 19.452 0.902 -6.515 1.00 0.00 C ATOM 1253 O VAL A 94 19.409 2.038 -6.988 1.00 0.00 O ATOM 1254 CB VAL A 94 19.287 -0.993 -8.150 1.00 0.00 C ATOM 1255 CG1 VAL A 94 18.459 -2.191 -8.586 1.00 0.00 C ATOM 1256 CG2 VAL A 94 20.664 -1.441 -7.680 1.00 0.00 C ATOM 0 H VAL A 94 17.359 1.243 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 94 18.314 -0.891 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 94 19.424 -0.329 -9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 94 18.991 -2.736 -9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 94 18.293 -2.848 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 94 17.499 -1.849 -8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 94 21.160 -1.992 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 94 21.261 -0.568 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 94 20.559 -2.085 -6.807 1.00 0.00 H new ATOM 1266 N VAL A 95 20.273 0.553 -5.534 1.00 0.00 N ATOM 1267 CA VAL A 95 21.202 1.501 -4.935 1.00 0.00 C ATOM 1268 C VAL A 95 22.534 0.827 -4.634 1.00 0.00 C ATOM 1269 O VAL A 95 22.583 -0.363 -4.322 1.00 0.00 O ATOM 1270 CB VAL A 95 20.634 2.098 -3.636 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.498 3.246 -3.143 1.00 0.00 C ATOM 1272 CG2 VAL A 95 19.202 2.559 -3.844 1.00 0.00 C ATOM 0 H VAL A 95 20.314 -0.385 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 95 21.353 2.306 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 95 20.640 1.319 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.075 3.651 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.508 2.884 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.532 4.028 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.816 2.978 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 95 19.174 3.319 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.586 1.710 -4.142 1.00 0.00 H new ATOM 1282 N THR A 96 23.613 1.589 -4.744 1.00 0.00 N ATOM 1283 CA THR A 96 24.946 1.062 -4.488 1.00 0.00 C ATOM 1284 C THR A 96 25.443 1.491 -3.113 1.00 0.00 C ATOM 1285 O THR A 96 25.270 2.641 -2.710 1.00 0.00 O ATOM 1286 CB THR A 96 25.919 1.530 -5.570 1.00 0.00 C ATOM 1287 OG1 THR A 96 25.388 2.636 -6.278 1.00 0.00 O ATOM 1288 CG2 THR A 96 26.250 0.453 -6.579 1.00 0.00 C ATOM 0 H THR A 96 23.592 2.574 -5.009 1.00 0.00 H new ATOM 0 HA THR A 96 24.892 -0.026 -4.509 1.00 0.00 H new ATOM 0 HB THR A 96 26.832 1.804 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 96 26.026 2.922 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 96 26.945 0.849 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 96 26.708 -0.395 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 96 25.336 0.127 -7.076 1.00 0.00 H new ATOM 1296 N TYR A 97 26.048 0.554 -2.393 1.00 0.00 N ATOM 1297 CA TYR A 97 26.555 0.829 -1.055 1.00 0.00 C ATOM 1298 C TYR A 97 28.054 1.106 -1.081 1.00 0.00 C ATOM 1299 O TYR A 97 28.759 0.678 -1.995 1.00 0.00 O ATOM 1300 CB TYR A 97 26.255 -0.346 -0.124 1.00 0.00 C ATOM 1301 CG TYR A 97 24.878 -0.293 0.493 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.710 -0.376 1.867 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.745 -0.174 -0.301 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.451 -0.335 2.435 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.485 -0.128 0.258 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.341 -0.212 1.624 1.00 0.00 C ATOM 1307 OH TYR A 97 21.084 -0.171 2.179 1.00 0.00 O ATOM 0 H TYR A 97 26.199 -0.402 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 97 26.051 1.720 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 97 26.358 -1.276 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 97 27.000 -0.368 0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.577 -0.474 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.852 -0.117 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.336 -0.399 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.615 -0.026 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 97 21.072 0.477 2.914 1.00 0.00 H new ATOM 1317 N SER A 98 28.534 1.826 -0.073 1.00 0.00 N ATOM 1318 CA SER A 98 29.950 2.172 0.008 1.00 0.00 C ATOM 1319 C SER A 98 30.423 2.266 1.457 1.00 0.00 C ATOM 1320 O SER A 98 29.722 2.801 2.313 1.00 0.00 O ATOM 1321 CB SER A 98 30.207 3.499 -0.711 1.00 0.00 C ATOM 1322 OG SER A 98 30.185 4.592 0.193 1.00 0.00 O ATOM 0 H SER A 98 27.967 2.181 0.697 1.00 0.00 H new ATOM 0 HA SER A 98 30.516 1.378 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 98 31.173 3.461 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.452 3.648 -1.483 1.00 0.00 H new ATOM 0 HG SER A 98 30.354 5.424 -0.296 1.00 0.00 H new ATOM 1328 N CYS A 99 31.641 1.795 1.712 1.00 0.00 N ATOM 1329 CA CYS A 99 32.209 1.833 3.051 1.00 0.00 C ATOM 1330 C CYS A 99 32.524 3.262 3.478 1.00 0.00 C ATOM 1331 O CYS A 99 32.620 4.163 2.645 1.00 0.00 O ATOM 1332 CB CYS A 99 33.479 0.990 3.104 1.00 0.00 C ATOM 1333 SG CYS A 99 33.315 -0.639 2.304 1.00 0.00 S ATOM 0 H CYS A 99 32.252 1.383 1.007 1.00 0.00 H new ATOM 0 HA CYS A 99 31.470 1.425 3.740 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.289 1.540 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.765 0.845 4.146 1.00 0.00 H new ATOM 1338 N ASN A 100 32.699 3.457 4.781 1.00 0.00 N ATOM 1339 CA ASN A 100 33.004 4.772 5.325 1.00 0.00 C ATOM 1340 C ASN A 100 34.504 4.941 5.544 1.00 0.00 C ATOM 1341 O ASN A 100 35.160 5.720 4.852 1.00 0.00 O ATOM 1342 CB ASN A 100 32.261 4.971 6.646 1.00 0.00 C ATOM 1343 CG ASN A 100 30.795 4.606 6.544 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.096 5.049 5.634 1.00 0.00 O ATOM 1345 ND2 ASN A 100 30.322 3.794 7.479 1.00 0.00 N ATOM 0 H ASN A 100 32.634 2.717 5.480 1.00 0.00 H new ATOM 0 HA ASN A 100 32.678 5.523 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 100 32.731 4.363 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.353 6.011 6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 100 29.342 3.513 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 100 30.938 3.451 8.216 1.00 0.00 H new ATOM 1352 N SER A 101 35.041 4.208 6.515 1.00 0.00 N ATOM 1353 CA SER A 101 36.463 4.278 6.831 1.00 0.00 C ATOM 1354 C SER A 101 37.306 3.748 5.677 1.00 0.00 C ATOM 1355 O SER A 101 38.449 4.165 5.487 1.00 0.00 O ATOM 1356 CB SER A 101 36.761 3.481 8.103 1.00 0.00 C ATOM 1357 OG SER A 101 37.717 4.146 8.910 1.00 0.00 O ATOM 0 H SER A 101 34.512 3.558 7.097 1.00 0.00 H new ATOM 0 HA SER A 101 36.722 5.324 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 101 35.841 3.336 8.669 1.00 0.00 H new ATOM 0 HB3 SER A 101 37.131 2.491 7.837 1.00 0.00 H new ATOM 0 HG SER A 101 37.888 3.617 9.717 1.00 0.00 H new ATOM 1363 N GLY A 102 36.737 2.823 4.912 1.00 0.00 N ATOM 1364 CA GLY A 102 37.449 2.249 3.786 1.00 0.00 C ATOM 1365 C GLY A 102 37.467 0.734 3.821 1.00 0.00 C ATOM 1366 O GLY A 102 38.461 0.109 3.449 1.00 0.00 O ATOM 0 H GLY A 102 35.794 2.460 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.984 2.582 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.473 2.621 3.780 1.00 0.00 H new ATOM 1370 N TYR A 103 36.366 0.141 4.270 1.00 0.00 N ATOM 1371 CA TYR A 103 36.249 -1.302 4.351 1.00 0.00 C ATOM 1372 C TYR A 103 36.060 -1.905 2.964 1.00 0.00 C ATOM 1373 O TYR A 103 36.165 -1.208 1.955 1.00 0.00 O ATOM 1374 CB TYR A 103 35.067 -1.661 5.251 1.00 0.00 C ATOM 1375 CG TYR A 103 35.422 -1.730 6.719 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.569 -0.571 7.471 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.613 -2.951 7.352 1.00 0.00 C ATOM 1378 CE1 TYR A 103 35.895 -0.627 8.813 1.00 0.00 C ATOM 1379 CE2 TYR A 103 35.934 -3.016 8.695 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.079 -1.852 9.420 1.00 0.00 C ATOM 1381 OH TYR A 103 36.403 -1.911 10.756 1.00 0.00 O ATOM 0 H TYR A 103 35.538 0.647 4.585 1.00 0.00 H new ATOM 0 HA TYR A 103 37.166 -1.712 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.277 -0.923 5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.662 -2.624 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 103 35.426 0.390 6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 103 35.509 -3.865 6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 103 36.005 0.283 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 103 36.071 -3.974 9.174 1.00 0.00 H new ATOM 0 HH TYR A 103 36.496 -2.848 11.029 1.00 0.00 H new ATOM 1391 N SER A 104 35.772 -3.198 2.919 1.00 0.00 N ATOM 1392 CA SER A 104 35.556 -3.888 1.653 1.00 0.00 C ATOM 1393 C SER A 104 34.136 -4.434 1.571 1.00 0.00 C ATOM 1394 O SER A 104 33.826 -5.475 2.150 1.00 0.00 O ATOM 1395 CB SER A 104 36.563 -5.027 1.488 1.00 0.00 C ATOM 1396 OG SER A 104 37.888 -4.576 1.715 1.00 0.00 O ATOM 0 H SER A 104 35.682 -3.791 3.744 1.00 0.00 H new ATOM 0 HA SER A 104 35.699 -3.169 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 104 36.325 -5.830 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.485 -5.443 0.484 1.00 0.00 H new ATOM 0 HG SER A 104 38.512 -5.324 1.605 1.00 0.00 H new ATOM 1402 N LEU A 105 33.274 -3.725 0.845 1.00 0.00 N ATOM 1403 CA LEU A 105 31.890 -4.131 0.690 1.00 0.00 C ATOM 1404 C LEU A 105 31.789 -5.592 0.300 1.00 0.00 C ATOM 1405 O LEU A 105 32.500 -6.075 -0.582 1.00 0.00 O ATOM 1406 CB LEU A 105 31.182 -3.260 -0.338 1.00 0.00 C ATOM 1407 CG LEU A 105 29.744 -2.909 0.032 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.648 -1.461 0.479 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.809 -3.187 -1.129 1.00 0.00 C ATOM 0 H LEU A 105 33.517 -2.864 0.355 1.00 0.00 H new ATOM 0 HA LEU A 105 31.397 -4.000 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.748 -2.338 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 105 31.184 -3.775 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 105 29.437 -3.540 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.615 -1.228 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.285 -1.306 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.974 -0.808 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.789 -2.930 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.108 -2.587 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.857 -4.244 -1.390 1.00 0.00 H new ATOM 1421 N ILE A 106 30.913 -6.288 0.994 1.00 0.00 N ATOM 1422 CA ILE A 106 30.694 -7.704 0.768 1.00 0.00 C ATOM 1423 C ILE A 106 29.424 -7.927 -0.046 1.00 0.00 C ATOM 1424 O ILE A 106 28.528 -7.082 -0.060 1.00 0.00 O ATOM 1425 CB ILE A 106 30.590 -8.454 2.108 1.00 0.00 C ATOM 1426 CG1 ILE A 106 31.896 -8.326 2.896 1.00 0.00 C ATOM 1427 CG2 ILE A 106 30.238 -9.917 1.886 1.00 0.00 C ATOM 1428 CD1 ILE A 106 33.071 -9.023 2.249 1.00 0.00 C ATOM 0 H ILE A 106 30.332 -5.889 1.731 1.00 0.00 H new ATOM 0 HA ILE A 106 31.545 -8.093 0.209 1.00 0.00 H new ATOM 0 HB ILE A 106 29.789 -8.000 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.134 -7.269 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.748 -8.736 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 106 30.170 -10.425 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.280 -9.987 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 106 31.011 -10.389 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 106 33.959 -8.887 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 106 32.855 -10.087 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 106 33.247 -8.598 1.261 1.00 0.00 H new ATOM 1440 N GLY A 107 29.350 -9.071 -0.715 1.00 0.00 N ATOM 1441 CA GLY A 107 28.192 -9.371 -1.533 1.00 0.00 C ATOM 1442 C GLY A 107 28.095 -8.456 -2.733 1.00 0.00 C ATOM 1443 O GLY A 107 29.050 -8.319 -3.499 1.00 0.00 O ATOM 0 H GLY A 107 30.069 -9.794 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.244 -10.406 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.288 -9.277 -0.931 1.00 0.00 H new ATOM 1447 N ASN A 108 26.947 -7.818 -2.887 1.00 0.00 N ATOM 1448 CA ASN A 108 26.734 -6.888 -3.989 1.00 0.00 C ATOM 1449 C ASN A 108 26.275 -5.530 -3.474 1.00 0.00 C ATOM 1450 O ASN A 108 25.308 -5.431 -2.720 1.00 0.00 O ATOM 1451 CB ASN A 108 25.706 -7.440 -4.973 1.00 0.00 C ATOM 1452 CG ASN A 108 25.913 -8.913 -5.254 1.00 0.00 C ATOM 1453 OD1 ASN A 108 24.980 -9.712 -5.173 1.00 0.00 O ATOM 1454 ND2 ASN A 108 27.145 -9.279 -5.587 1.00 0.00 N ATOM 0 H ASN A 108 26.147 -7.925 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 108 27.686 -6.764 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.704 -7.286 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 108 25.765 -6.882 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 108 27.349 -10.258 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 108 27.887 -8.581 -5.642 1.00 0.00 H new ATOM 1461 N SER A 109 26.981 -4.490 -3.893 1.00 0.00 N ATOM 1462 CA SER A 109 26.660 -3.129 -3.498 1.00 0.00 C ATOM 1463 C SER A 109 25.247 -2.762 -3.929 1.00 0.00 C ATOM 1464 O SER A 109 24.587 -1.932 -3.303 1.00 0.00 O ATOM 1465 CB SER A 109 27.667 -2.167 -4.123 1.00 0.00 C ATOM 1466 OG SER A 109 27.228 -1.721 -5.393 1.00 0.00 O ATOM 0 H SER A 109 27.788 -4.566 -4.513 1.00 0.00 H new ATOM 0 HA SER A 109 26.714 -3.055 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.813 -1.311 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 109 28.633 -2.662 -4.222 1.00 0.00 H new ATOM 0 HG SER A 109 27.990 -1.682 -6.008 1.00 0.00 H new ATOM 1472 N GLY A 110 24.790 -3.396 -5.000 1.00 0.00 N ATOM 1473 CA GLY A 110 23.461 -3.130 -5.512 1.00 0.00 C ATOM 1474 C GLY A 110 22.367 -3.704 -4.631 1.00 0.00 C ATOM 1475 O GLY A 110 22.320 -4.911 -4.391 1.00 0.00 O ATOM 0 H GLY A 110 25.319 -4.093 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 110 23.320 -2.053 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 110 23.372 -3.549 -6.514 1.00 0.00 H new ATOM 1479 N VAL A 111 21.486 -2.833 -4.152 1.00 0.00 N ATOM 1480 CA VAL A 111 20.369 -3.244 -3.308 1.00 0.00 C ATOM 1481 C VAL A 111 19.051 -3.005 -4.030 1.00 0.00 C ATOM 1482 O VAL A 111 18.716 -1.870 -4.354 1.00 0.00 O ATOM 1483 CB VAL A 111 20.367 -2.478 -1.978 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.394 -3.097 -0.984 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.770 -2.419 -1.397 1.00 0.00 C ATOM 0 H VAL A 111 21.524 -1.830 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 111 20.485 -4.307 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 111 20.032 -1.460 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.416 -2.531 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.386 -3.074 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.682 -4.130 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.751 -1.872 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 111 22.134 -3.431 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.433 -1.911 -2.097 1.00 0.00 H new ATOM 1495 N LEU A 112 18.324 -4.079 -4.315 1.00 0.00 N ATOM 1496 CA LEU A 112 17.071 -3.971 -5.056 1.00 0.00 C ATOM 1497 C LEU A 112 15.928 -3.475 -4.181 1.00 0.00 C ATOM 1498 O LEU A 112 15.625 -4.062 -3.142 1.00 0.00 O ATOM 1499 CB LEU A 112 16.691 -5.322 -5.665 1.00 0.00 C ATOM 1500 CG LEU A 112 15.310 -5.361 -6.326 1.00 0.00 C ATOM 1501 CD1 LEU A 112 14.902 -6.794 -6.629 1.00 0.00 C ATOM 1502 CD2 LEU A 112 15.305 -4.523 -7.596 1.00 0.00 C ATOM 0 H LEU A 112 18.578 -5.030 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 112 17.234 -3.240 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 112 17.442 -5.595 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 112 16.726 -6.080 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 112 14.584 -4.939 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.918 -6.801 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 112 15.629 -7.244 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 14.866 -7.366 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.316 -4.561 -8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.552 -3.490 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 112 16.043 -4.917 -8.295 1.00 0.00 H new ATOM 1514 N CYS A 113 15.264 -2.417 -4.637 1.00 0.00 N ATOM 1515 CA CYS A 113 14.100 -1.888 -3.944 1.00 0.00 C ATOM 1516 C CYS A 113 12.842 -2.550 -4.490 1.00 0.00 C ATOM 1517 O CYS A 113 12.415 -2.257 -5.609 1.00 0.00 O ATOM 1518 CB CYS A 113 14.003 -0.373 -4.121 1.00 0.00 C ATOM 1519 SG CYS A 113 12.528 0.371 -3.354 1.00 0.00 S ATOM 0 H CYS A 113 15.515 -1.910 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 113 14.200 -2.104 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.893 0.090 -3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 113 14.002 -0.142 -5.186 1.00 0.00 H new ATOM 1524 N SER A 114 12.287 -3.483 -3.724 1.00 0.00 N ATOM 1525 CA SER A 114 11.104 -4.215 -4.157 1.00 0.00 C ATOM 1526 C SER A 114 10.140 -4.446 -3.002 1.00 0.00 C ATOM 1527 O SER A 114 10.548 -4.552 -1.845 1.00 0.00 O ATOM 1528 CB SER A 114 11.509 -5.558 -4.769 1.00 0.00 C ATOM 1529 OG SER A 114 10.400 -6.196 -5.378 1.00 0.00 O ATOM 0 H SER A 114 12.636 -3.749 -2.803 1.00 0.00 H new ATOM 0 HA SER A 114 10.596 -3.611 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.294 -5.402 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.924 -6.204 -3.995 1.00 0.00 H new ATOM 0 HG SER A 114 10.685 -7.051 -5.763 1.00 0.00 H new ATOM 1535 N GLY A 115 8.856 -4.529 -3.331 1.00 0.00 N ATOM 1536 CA GLY A 115 7.837 -4.757 -2.323 1.00 0.00 C ATOM 1537 C GLY A 115 8.004 -3.866 -1.108 1.00 0.00 C ATOM 1538 O GLY A 115 7.877 -4.323 0.028 1.00 0.00 O ATOM 0 H GLY A 115 8.501 -4.442 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.854 -4.586 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.869 -5.801 -2.010 1.00 0.00 H new ATOM 1542 N GLY A 116 8.297 -2.592 -1.345 1.00 0.00 N ATOM 1543 CA GLY A 116 8.482 -1.660 -0.251 1.00 0.00 C ATOM 1544 C GLY A 116 9.648 -2.034 0.644 1.00 0.00 C ATOM 1545 O GLY A 116 9.783 -1.506 1.748 1.00 0.00 O ATOM 0 H GLY A 116 8.409 -2.189 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.644 -0.660 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.570 -1.619 0.345 1.00 0.00 H new ATOM 1549 N GLU A 117 10.493 -2.944 0.169 1.00 0.00 N ATOM 1550 CA GLU A 117 11.655 -3.376 0.928 1.00 0.00 C ATOM 1551 C GLU A 117 12.887 -3.433 0.038 1.00 0.00 C ATOM 1552 O GLU A 117 12.799 -3.267 -1.179 1.00 0.00 O ATOM 1553 CB GLU A 117 11.404 -4.746 1.556 1.00 0.00 C ATOM 1554 CG GLU A 117 10.152 -4.792 2.411 1.00 0.00 C ATOM 1555 CD GLU A 117 9.607 -6.197 2.575 1.00 0.00 C ATOM 1556 OE1 GLU A 117 8.787 -6.412 3.492 1.00 0.00 O ATOM 1557 OE2 GLU A 117 10.000 -7.082 1.787 1.00 0.00 O ATOM 0 H GLU A 117 10.392 -3.395 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 117 11.830 -2.650 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.323 -5.492 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.264 -5.021 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.373 -4.375 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.386 -4.160 1.961 1.00 0.00 H new ATOM 1564 N TRP A 118 14.030 -3.680 0.654 1.00 0.00 N ATOM 1565 CA TRP A 118 15.291 -3.740 -0.067 1.00 0.00 C ATOM 1566 C TRP A 118 15.899 -5.133 -0.013 1.00 0.00 C ATOM 1567 O TRP A 118 16.088 -5.687 1.069 1.00 0.00 O ATOM 1568 CB TRP A 118 16.276 -2.755 0.553 1.00 0.00 C ATOM 1569 CG TRP A 118 15.941 -1.322 0.301 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.252 -0.486 1.128 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.306 -0.548 -0.843 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.156 0.761 0.562 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.795 0.748 -0.650 1.00 0.00 C ATOM 1574 CE3 TRP A 118 17.009 -0.826 -2.017 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.967 1.762 -1.586 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 17.180 0.181 -2.944 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.658 1.462 -2.726 1.00 0.00 C ATOM 0 H TRP A 118 14.111 -3.843 1.658 1.00 0.00 H new ATOM 0 HA TRP A 118 15.093 -3.486 -1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.315 -2.925 1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.273 -2.959 0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 118 14.842 -0.764 2.088 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.686 1.566 0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.412 -1.812 -2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.569 2.752 -1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.726 -0.022 -3.854 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.804 2.228 -3.473 1.00 0.00 H new ATOM 1588 N SER A 119 16.251 -5.686 -1.171 1.00 0.00 N ATOM 1589 CA SER A 119 16.936 -6.968 -1.187 1.00 0.00 C ATOM 1590 C SER A 119 18.431 -6.746 -1.176 1.00 0.00 C ATOM 1591 O SER A 119 18.966 -6.013 -2.007 1.00 0.00 O ATOM 1592 CB SER A 119 16.555 -7.838 -2.359 1.00 0.00 C ATOM 1593 OG SER A 119 15.428 -7.328 -3.050 1.00 0.00 O ATOM 0 H SER A 119 16.077 -5.276 -2.088 1.00 0.00 H new ATOM 0 HA SER A 119 16.622 -7.502 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.399 -7.913 -3.045 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.340 -8.847 -2.008 1.00 0.00 H new ATOM 0 HG SER A 119 15.019 -8.043 -3.581 1.00 0.00 H new ATOM 1599 N ASP A 120 19.065 -7.463 -0.256 1.00 0.00 N ATOM 1600 CA ASP A 120 20.431 -7.275 0.167 1.00 0.00 C ATOM 1601 C ASP A 120 20.218 -6.724 1.519 1.00 0.00 C ATOM 1602 O ASP A 120 19.269 -7.211 2.160 1.00 0.00 O ATOM 1603 CB ASP A 120 21.243 -6.422 -0.800 1.00 0.00 C ATOM 1604 CG ASP A 120 21.376 -7.065 -2.168 1.00 0.00 C ATOM 1605 OD1 ASP A 120 20.472 -7.836 -2.553 1.00 0.00 O ATOM 1606 OD2 ASP A 120 22.387 -6.800 -2.853 1.00 0.00 O ATOM 0 H ASP A 120 18.608 -8.230 0.236 1.00 0.00 H new ATOM 0 HA ASP A 120 21.053 -8.170 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 120 20.769 -5.446 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.236 -6.251 -0.384 1.00 0.00 H new ATOM 1611 N PRO A 121 20.811 -5.662 2.002 1.00 0.00 N ATOM 1612 CA PRO A 121 22.022 -4.962 1.544 1.00 0.00 C ATOM 1613 C PRO A 121 23.274 -5.828 1.638 1.00 0.00 C ATOM 1614 O PRO A 121 23.221 -6.966 2.105 1.00 0.00 O ATOM 1615 CB PRO A 121 22.137 -3.860 2.589 1.00 0.00 C ATOM 1616 CG PRO A 121 21.635 -4.547 3.806 1.00 0.00 C ATOM 1617 CD PRO A 121 20.451 -5.302 3.319 1.00 0.00 C ATOM 0 HA PRO A 121 21.950 -4.648 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 121 23.164 -3.514 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 121 21.535 -2.988 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 121 22.388 -5.212 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 121 21.363 -3.835 4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.252 -6.179 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.549 -4.690 3.336 1.00 0.00 H new ATOM 1625 N PRO A 122 24.430 -5.271 1.251 1.00 0.00 N ATOM 1626 CA PRO A 122 25.707 -5.947 1.358 1.00 0.00 C ATOM 1627 C PRO A 122 26.345 -5.709 2.713 1.00 0.00 C ATOM 1628 O PRO A 122 25.793 -5.006 3.559 1.00 0.00 O ATOM 1629 CB PRO A 122 26.554 -5.291 0.265 1.00 0.00 C ATOM 1630 CG PRO A 122 25.869 -3.998 -0.079 1.00 0.00 C ATOM 1631 CD PRO A 122 24.594 -3.914 0.725 1.00 0.00 C ATOM 0 HA PRO A 122 25.612 -7.027 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.570 -5.112 0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.628 -5.937 -0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.518 -3.152 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.650 -3.956 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 122 24.673 -3.180 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.747 -3.619 0.105 1.00 0.00 H new ATOM 1639 N THR A 123 27.519 -6.278 2.902 1.00 0.00 N ATOM 1640 CA THR A 123 28.275 -6.061 4.124 1.00 0.00 C ATOM 1641 C THR A 123 29.475 -5.205 3.820 1.00 0.00 C ATOM 1642 O THR A 123 29.519 -4.528 2.794 1.00 0.00 O ATOM 1643 CB THR A 123 28.700 -7.386 4.760 1.00 0.00 C ATOM 1644 OG1 THR A 123 28.165 -8.483 4.039 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.257 -7.523 6.200 1.00 0.00 C ATOM 0 H THR A 123 27.972 -6.894 2.227 1.00 0.00 H new ATOM 0 HA THR A 123 27.638 -5.548 4.844 1.00 0.00 H new ATOM 0 HB THR A 123 29.790 -7.388 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.449 -9.321 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 123 28.589 -8.484 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 123 28.692 -6.718 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.170 -7.466 6.253 1.00 0.00 H new ATOM 1653 N CYS A 124 30.434 -5.206 4.711 1.00 0.00 N ATOM 1654 CA CYS A 124 31.579 -4.355 4.536 1.00 0.00 C ATOM 1655 C CYS A 124 32.662 -4.689 5.547 1.00 0.00 C ATOM 1656 O CYS A 124 32.734 -4.103 6.627 1.00 0.00 O ATOM 1657 CB CYS A 124 31.114 -2.912 4.659 1.00 0.00 C ATOM 1658 SG CYS A 124 32.215 -1.705 3.866 1.00 0.00 S ATOM 0 H CYS A 124 30.444 -5.780 5.554 1.00 0.00 H new ATOM 0 HA CYS A 124 32.020 -4.510 3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.120 -2.824 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 124 31.019 -2.661 5.716 1.00 0.00 H new ATOM 1663 N GLN A 125 33.483 -5.667 5.188 1.00 0.00 N ATOM 1664 CA GLN A 125 34.556 -6.129 6.047 1.00 0.00 C ATOM 1665 C GLN A 125 35.911 -5.834 5.428 1.00 0.00 C ATOM 1666 O GLN A 125 36.003 -5.328 4.309 1.00 0.00 O ATOM 1667 CB GLN A 125 34.416 -7.632 6.291 1.00 0.00 C ATOM 1668 CG GLN A 125 33.634 -7.971 7.547 1.00 0.00 C ATOM 1669 CD GLN A 125 33.374 -9.457 7.691 1.00 0.00 C ATOM 1670 OE1 GLN A 125 34.278 -10.229 8.013 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.133 -9.867 7.453 1.00 0.00 N ATOM 0 H GLN A 125 33.421 -6.158 4.296 1.00 0.00 H new ATOM 0 HA GLN A 125 34.487 -5.598 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.923 -8.087 5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.410 -8.075 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.184 -7.616 8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.682 -7.440 7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.415 -9.193 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.898 -10.856 7.535 1.00 0.00 H new ATOM 1680 N ILE A 126 36.959 -6.157 6.166 1.00 0.00 N ATOM 1681 CA ILE A 126 38.318 -5.935 5.699 1.00 0.00 C ATOM 1682 C ILE A 126 38.866 -7.186 5.018 1.00 0.00 C ATOM 1683 O ILE A 126 39.839 -7.784 5.478 1.00 0.00 O ATOM 1684 CB ILE A 126 39.242 -5.517 6.862 1.00 0.00 C ATOM 1685 CG1 ILE A 126 38.778 -4.183 7.442 1.00 0.00 C ATOM 1686 CG2 ILE A 126 40.692 -5.422 6.404 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.018 -3.006 6.522 1.00 0.00 C ATOM 0 H ILE A 126 36.895 -6.575 7.094 1.00 0.00 H new ATOM 0 HA ILE A 126 38.291 -5.123 4.972 1.00 0.00 H new ATOM 0 HB ILE A 126 39.186 -6.281 7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 126 37.714 -4.245 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.295 -4.007 8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.320 -5.126 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.020 -6.392 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 126 40.775 -4.680 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.664 -2.093 7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.085 -2.917 6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.479 -3.159 5.587 1.00 0.00 H new