USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 24 MET CE :methyl 153:sc= -0.0222 (180deg=-0.276) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.119 K(o=-0.14,f=-3.1!) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.451 K(o=0.59,f=0.0033) USER MOD Set 2.2: A 17 SER OG : rot 75:sc= 0.143 USER MOD Set 3.1: A 1 GLY N :NH3+ -173:sc= 0.648 (180deg=0) USER MOD Set 3.2: A 2 HIS : no HD1:sc= -0.631 K(o=0.017,f=-1.7) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 23 THR OG1 : rot 37:sc= 1.01 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 116:sc= 1.48 USER MOD Single : A 29 SER OG : rot 180:sc= -0.356 USER MOD Single : A 32 MET CE :methyl 167:sc= -0.0269 (180deg=-0.47) USER MOD Single : A 34 ASN : amide:sc= 0.0243 K(o=0.024,f=-3.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 160:sc= -0.0293 (180deg=-1.24) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0063) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0967 USER MOD Single : A 72 THR OG1 : rot -137:sc= 0.715 USER MOD Single : A 74 SER OG : rot -140:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0.702 (180deg=0.7) USER MOD Single : A 83 HIS : no HE2:sc= 0.321 K(o=0.32,f=-1.1) USER MOD Single : A 85 SER OG : rot 40:sc= 0.00213 USER MOD Single : A 89 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.45) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00848 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.868 33.148 18.643 1.00 0.00 N ATOM 2 CA GLY A 1 -6.703 31.684 18.613 1.00 0.00 C ATOM 3 C GLY A 1 -5.219 31.394 18.607 1.00 0.00 C ATOM 4 O GLY A 1 -4.528 31.963 19.446 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.874 33.382 18.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.320 33.543 19.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.526 33.554 17.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.180 31.227 19.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.180 31.262 17.728 1.00 0.00 H new ATOM 8 N HIS A 2 -4.738 30.662 17.593 1.00 0.00 N ATOM 9 CA HIS A 2 -3.316 30.475 17.276 1.00 0.00 C ATOM 10 C HIS A 2 -2.620 29.607 18.336 1.00 0.00 C ATOM 11 O HIS A 2 -3.247 29.185 19.306 1.00 0.00 O ATOM 12 CB HIS A 2 -2.601 31.828 17.021 1.00 0.00 C ATOM 13 CG HIS A 2 -3.511 32.900 16.457 1.00 0.00 C ATOM 14 ND1 HIS A 2 -4.151 32.879 15.236 1.00 0.00 N ATOM 15 CD2 HIS A 2 -4.063 33.912 17.197 1.00 0.00 C ATOM 16 CE1 HIS A 2 -5.099 33.832 15.259 1.00 0.00 C ATOM 17 NE2 HIS A 2 -5.132 34.436 16.462 1.00 0.00 N ATOM 0 H HIS A 2 -5.352 30.165 16.947 1.00 0.00 H new ATOM 0 HA HIS A 2 -3.247 29.925 16.338 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -2.171 32.184 17.957 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -1.773 31.667 16.331 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -3.733 34.245 18.170 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.744 34.079 14.429 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -5.803 35.137 16.775 1.00 0.00 H new ATOM 25 N ILE A 3 -1.346 29.302 18.107 1.00 0.00 N ATOM 26 CA ILE A 3 -0.456 28.557 18.981 1.00 0.00 C ATOM 27 C ILE A 3 0.912 29.195 18.744 1.00 0.00 C ATOM 28 O ILE A 3 1.359 29.294 17.602 1.00 0.00 O ATOM 29 CB ILE A 3 -0.480 27.030 18.696 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.489 26.666 17.188 1.00 0.00 C ATOM 31 CG2 ILE A 3 -1.681 26.386 19.414 1.00 0.00 C ATOM 32 CD1 ILE A 3 -0.314 25.169 16.907 1.00 0.00 C ATOM 0 H ILE A 3 -0.880 29.590 17.247 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.754 28.616 20.028 1.00 0.00 H new ATOM 0 HB ILE A 3 0.455 26.629 19.088 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.429 27.000 16.750 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.309 27.215 16.687 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.694 25.315 19.212 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.594 26.551 20.488 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.605 26.835 19.051 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.331 24.996 15.831 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.639 24.832 17.313 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.126 24.613 17.377 1.00 0.00 H new ATOM 44 N SER A 4 1.514 29.739 19.796 1.00 0.00 N ATOM 45 CA SER A 4 2.730 30.539 19.740 1.00 0.00 C ATOM 46 C SER A 4 3.247 30.721 21.172 1.00 0.00 C ATOM 47 O SER A 4 2.514 30.435 22.117 1.00 0.00 O ATOM 48 CB SER A 4 2.417 31.891 19.067 1.00 0.00 C ATOM 49 OG SER A 4 1.175 32.440 19.491 1.00 0.00 O ATOM 0 H SER A 4 1.155 29.631 20.745 1.00 0.00 H new ATOM 0 HA SER A 4 3.503 30.047 19.149 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.217 32.597 19.290 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.401 31.759 17.985 1.00 0.00 H new ATOM 0 HG SER A 4 1.024 33.296 19.038 1.00 0.00 H new ATOM 55 N GLY A 5 4.468 31.239 21.341 1.00 0.00 N ATOM 56 CA GLY A 5 4.994 31.568 22.666 1.00 0.00 C ATOM 57 C GLY A 5 5.521 30.353 23.435 1.00 0.00 C ATOM 58 O GLY A 5 5.687 30.438 24.647 1.00 0.00 O ATOM 0 H GLY A 5 5.110 31.439 20.574 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.798 32.296 22.558 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.208 32.045 23.252 1.00 0.00 H new ATOM 62 N ALA A 6 5.794 29.240 22.749 1.00 0.00 N ATOM 63 CA ALA A 6 6.436 28.057 23.304 1.00 0.00 C ATOM 64 C ALA A 6 7.696 27.754 22.490 1.00 0.00 C ATOM 65 O ALA A 6 7.925 28.370 21.448 1.00 0.00 O ATOM 66 CB ALA A 6 5.446 26.885 23.296 1.00 0.00 C ATOM 0 H ALA A 6 5.565 29.140 21.760 1.00 0.00 H new ATOM 0 HA ALA A 6 6.732 28.225 24.339 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.927 26.000 23.712 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.574 27.141 23.898 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.132 26.681 22.272 1.00 0.00 H new ATOM 72 N THR A 7 8.512 26.818 22.974 1.00 0.00 N ATOM 73 CA THR A 7 9.689 26.332 22.262 1.00 0.00 C ATOM 74 C THR A 7 9.262 25.405 21.109 1.00 0.00 C ATOM 75 O THR A 7 8.087 25.036 21.001 1.00 0.00 O ATOM 76 CB THR A 7 10.642 25.678 23.284 1.00 0.00 C ATOM 77 OG1 THR A 7 11.914 25.499 22.708 1.00 0.00 O ATOM 78 CG2 THR A 7 10.137 24.340 23.843 1.00 0.00 C ATOM 0 H THR A 7 8.371 26.373 23.881 1.00 0.00 H new ATOM 0 HA THR A 7 10.238 27.147 21.790 1.00 0.00 H new ATOM 0 HB THR A 7 10.693 26.364 24.129 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.514 25.085 23.363 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.863 23.945 24.554 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.182 24.493 24.346 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.007 23.630 23.026 1.00 0.00 H new ATOM 86 N SER A 8 10.208 24.995 20.261 1.00 0.00 N ATOM 87 CA SER A 8 9.975 24.039 19.192 1.00 0.00 C ATOM 88 C SER A 8 9.821 22.624 19.760 1.00 0.00 C ATOM 89 O SER A 8 10.731 21.798 19.746 1.00 0.00 O ATOM 90 CB SER A 8 11.079 24.134 18.139 1.00 0.00 C ATOM 91 OG SER A 8 12.367 24.247 18.712 1.00 0.00 O ATOM 0 H SER A 8 11.171 25.327 20.304 1.00 0.00 H new ATOM 0 HA SER A 8 9.038 24.283 18.692 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.045 23.251 17.501 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.893 24.997 17.499 1.00 0.00 H new ATOM 0 HG SER A 8 13.038 24.303 18.000 1.00 0.00 H new ATOM 97 N VAL A 9 8.618 22.313 20.218 1.00 0.00 N ATOM 98 CA VAL A 9 8.196 21.011 20.739 1.00 0.00 C ATOM 99 C VAL A 9 8.032 19.940 19.636 1.00 0.00 C ATOM 100 O VAL A 9 7.298 18.959 19.805 1.00 0.00 O ATOM 101 CB VAL A 9 6.919 21.202 21.577 1.00 0.00 C ATOM 102 CG1 VAL A 9 7.200 22.004 22.857 1.00 0.00 C ATOM 103 CG2 VAL A 9 5.763 21.857 20.803 1.00 0.00 C ATOM 0 H VAL A 9 7.863 22.998 20.239 1.00 0.00 H new ATOM 0 HA VAL A 9 8.986 20.620 21.380 1.00 0.00 H new ATOM 0 HB VAL A 9 6.600 20.193 21.840 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.276 22.120 23.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.935 21.475 23.464 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.589 22.987 22.592 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.898 21.959 21.458 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.071 22.842 20.453 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.499 21.235 19.948 1.00 0.00 H new ATOM 113 N ASP A 10 8.672 20.149 18.485 1.00 0.00 N ATOM 114 CA ASP A 10 8.636 19.261 17.327 1.00 0.00 C ATOM 115 C ASP A 10 9.265 17.942 17.773 1.00 0.00 C ATOM 116 O ASP A 10 10.356 17.956 18.349 1.00 0.00 O ATOM 117 CB ASP A 10 9.396 19.848 16.111 1.00 0.00 C ATOM 118 CG ASP A 10 10.610 19.025 15.643 1.00 0.00 C ATOM 119 OD1 ASP A 10 10.383 18.036 14.908 1.00 0.00 O ATOM 120 OD2 ASP A 10 11.774 19.358 15.964 1.00 0.00 O ATOM 0 H ASP A 10 9.252 20.974 18.330 1.00 0.00 H new ATOM 0 HA ASP A 10 7.607 19.124 16.994 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.699 19.945 15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.733 20.853 16.363 1.00 0.00 H new ATOM 125 N GLN A 11 8.565 16.831 17.540 1.00 0.00 N ATOM 126 CA GLN A 11 9.091 15.475 17.620 1.00 0.00 C ATOM 127 C GLN A 11 7.990 14.534 17.138 1.00 0.00 C ATOM 128 O GLN A 11 6.860 14.622 17.636 1.00 0.00 O ATOM 129 CB GLN A 11 9.505 15.085 19.062 1.00 0.00 C ATOM 130 CG GLN A 11 10.809 14.273 19.085 1.00 0.00 C ATOM 131 CD GLN A 11 10.672 12.899 18.432 1.00 0.00 C ATOM 132 OE1 GLN A 11 10.065 11.991 18.998 1.00 0.00 O ATOM 133 NE2 GLN A 11 11.205 12.726 17.230 1.00 0.00 N ATOM 0 H GLN A 11 7.579 16.856 17.281 1.00 0.00 H new ATOM 0 HA GLN A 11 9.988 15.406 17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.629 15.988 19.661 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.707 14.503 19.524 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.589 14.836 18.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.133 14.147 20.118 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.704 13.492 16.778 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.116 11.827 16.757 1.00 0.00 H new ATOM 142 N ARG A 12 8.311 13.623 16.220 1.00 0.00 N ATOM 143 CA ARG A 12 7.486 12.457 15.917 1.00 0.00 C ATOM 144 C ARG A 12 8.328 11.201 16.008 1.00 0.00 C ATOM 145 O ARG A 12 8.108 10.378 16.891 1.00 0.00 O ATOM 146 CB ARG A 12 6.795 12.542 14.547 1.00 0.00 C ATOM 147 CG ARG A 12 6.218 13.917 14.228 1.00 0.00 C ATOM 148 CD ARG A 12 5.331 13.822 12.991 1.00 0.00 C ATOM 149 NE ARG A 12 5.270 15.099 12.267 1.00 0.00 N ATOM 150 CZ ARG A 12 5.344 15.247 10.937 1.00 0.00 C ATOM 151 NH1 ARG A 12 5.284 14.198 10.113 1.00 0.00 N ATOM 152 NH2 ARG A 12 5.451 16.466 10.430 1.00 0.00 N ATOM 0 H ARG A 12 9.162 13.676 15.660 1.00 0.00 H new ATOM 0 HA ARG A 12 6.688 12.428 16.659 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.512 12.272 13.772 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.993 11.805 14.510 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.640 14.286 15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.024 14.631 14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.713 13.046 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.325 13.523 13.286 1.00 0.00 H new ATOM 0 HE ARG A 12 5.162 15.946 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.179 13.257 10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.343 14.338 9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.476 17.276 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.508 16.595 9.420 1.00 0.00 H new ATOM 166 N SER A 13 9.279 11.030 15.091 1.00 0.00 N ATOM 167 CA SER A 13 9.919 9.750 14.849 1.00 0.00 C ATOM 168 C SER A 13 11.189 9.957 14.014 1.00 0.00 C ATOM 169 O SER A 13 11.464 11.055 13.517 1.00 0.00 O ATOM 170 CB SER A 13 8.892 8.783 14.206 1.00 0.00 C ATOM 171 OG SER A 13 7.943 9.440 13.377 1.00 0.00 O ATOM 0 H SER A 13 9.625 11.782 14.495 1.00 0.00 H new ATOM 0 HA SER A 13 10.243 9.288 15.781 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.425 8.038 13.616 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.365 8.247 14.995 1.00 0.00 H new ATOM 0 HG SER A 13 7.325 8.779 13.000 1.00 0.00 H new ATOM 177 N LEU A 14 11.972 8.887 13.882 1.00 0.00 N ATOM 178 CA LEU A 14 13.320 8.849 13.316 1.00 0.00 C ATOM 179 C LEU A 14 13.362 8.931 11.783 1.00 0.00 C ATOM 180 O LEU A 14 14.402 8.645 11.193 1.00 0.00 O ATOM 181 CB LEU A 14 14.023 7.575 13.825 1.00 0.00 C ATOM 182 CG LEU A 14 14.452 7.672 15.302 1.00 0.00 C ATOM 183 CD1 LEU A 14 14.639 6.268 15.871 1.00 0.00 C ATOM 184 CD2 LEU A 14 15.763 8.455 15.451 1.00 0.00 C ATOM 0 H LEU A 14 11.662 7.964 14.187 1.00 0.00 H new ATOM 0 HA LEU A 14 13.845 9.743 13.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.353 6.724 13.702 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.901 7.381 13.209 1.00 0.00 H new ATOM 0 HG LEU A 14 13.671 8.200 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.942 6.336 16.916 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.700 5.719 15.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.408 5.745 15.303 1.00 0.00 H new ATOM 0 HD21 LEU A 14 16.039 8.506 16.504 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.553 7.952 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.630 9.464 15.062 1.00 0.00 H new ATOM 196 N ILE A 15 12.268 9.284 11.103 1.00 0.00 N ATOM 197 CA ILE A 15 12.266 9.546 9.661 1.00 0.00 C ATOM 198 C ILE A 15 11.682 10.922 9.361 1.00 0.00 C ATOM 199 O ILE A 15 11.011 11.143 8.346 1.00 0.00 O ATOM 200 CB ILE A 15 11.614 8.427 8.843 1.00 0.00 C ATOM 201 CG1 ILE A 15 10.156 8.162 9.261 1.00 0.00 C ATOM 202 CG2 ILE A 15 12.459 7.143 8.897 1.00 0.00 C ATOM 203 CD1 ILE A 15 9.480 7.063 8.441 1.00 0.00 C ATOM 0 H ILE A 15 11.353 9.397 11.540 1.00 0.00 H new ATOM 0 HA ILE A 15 13.306 9.555 9.335 1.00 0.00 H new ATOM 0 HB ILE A 15 11.579 8.767 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.132 7.885 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.584 9.084 9.161 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.975 6.364 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.450 7.342 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.552 6.812 9.931 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.456 6.928 8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.472 7.347 7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.030 6.129 8.561 1.00 0.00 H new ATOM 215 N ASN A 16 11.945 11.876 10.250 1.00 0.00 N ATOM 216 CA ASN A 16 11.567 13.250 9.986 1.00 0.00 C ATOM 217 C ASN A 16 12.307 13.834 8.773 1.00 0.00 C ATOM 218 O ASN A 16 11.742 14.712 8.117 1.00 0.00 O ATOM 219 CB ASN A 16 11.656 14.137 11.228 1.00 0.00 C ATOM 220 CG ASN A 16 13.043 14.116 11.820 1.00 0.00 C ATOM 221 OD1 ASN A 16 13.899 14.916 11.458 1.00 0.00 O ATOM 222 ND2 ASN A 16 13.299 13.167 12.700 1.00 0.00 N ATOM 0 H ASN A 16 12.411 11.722 11.144 1.00 0.00 H new ATOM 0 HA ASN A 16 10.511 13.234 9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.386 15.160 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.936 13.797 11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.233 13.082 13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.563 12.518 12.979 1.00 0.00 H new ATOM 229 N SER A 17 13.455 13.259 8.398 1.00 0.00 N ATOM 230 CA SER A 17 14.312 13.708 7.299 1.00 0.00 C ATOM 231 C SER A 17 14.929 12.558 6.492 1.00 0.00 C ATOM 232 O SER A 17 15.746 12.820 5.607 1.00 0.00 O ATOM 233 CB SER A 17 15.439 14.594 7.852 1.00 0.00 C ATOM 234 OG SER A 17 14.964 15.712 8.578 1.00 0.00 O ATOM 0 H SER A 17 13.826 12.435 8.872 1.00 0.00 H new ATOM 0 HA SER A 17 13.671 14.267 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.080 13.994 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.058 14.942 7.025 1.00 0.00 H new ATOM 0 HG SER A 17 14.645 15.420 9.457 1.00 0.00 H new ATOM 240 N ASN A 18 14.587 11.295 6.776 1.00 0.00 N ATOM 241 CA ASN A 18 15.302 10.134 6.229 1.00 0.00 C ATOM 242 C ASN A 18 14.447 9.301 5.265 1.00 0.00 C ATOM 243 O ASN A 18 14.747 8.135 5.022 1.00 0.00 O ATOM 244 CB ASN A 18 15.870 9.280 7.379 1.00 0.00 C ATOM 245 CG ASN A 18 17.222 8.643 7.062 1.00 0.00 C ATOM 246 OD1 ASN A 18 18.147 8.773 7.862 1.00 0.00 O ATOM 247 ND2 ASN A 18 17.384 7.936 5.961 1.00 0.00 N ATOM 0 H ASN A 18 13.810 11.049 7.389 1.00 0.00 H new ATOM 0 HA ASN A 18 16.130 10.510 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.972 9.904 8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.156 8.493 7.622 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.282 7.492 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.612 7.833 5.303 1.00 0.00 H new ATOM 254 N VAL A 19 13.336 9.842 4.761 1.00 0.00 N ATOM 255 CA VAL A 19 12.483 9.139 3.806 1.00 0.00 C ATOM 256 C VAL A 19 13.231 9.076 2.468 1.00 0.00 C ATOM 257 O VAL A 19 13.493 10.113 1.855 1.00 0.00 O ATOM 258 CB VAL A 19 11.116 9.837 3.662 1.00 0.00 C ATOM 259 CG1 VAL A 19 10.136 9.002 2.824 1.00 0.00 C ATOM 260 CG2 VAL A 19 10.445 10.127 5.019 1.00 0.00 C ATOM 0 H VAL A 19 13.005 10.776 5.003 1.00 0.00 H new ATOM 0 HA VAL A 19 12.274 8.129 4.159 1.00 0.00 H new ATOM 0 HB VAL A 19 11.334 10.781 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.184 9.528 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.549 8.849 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.978 8.036 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.487 10.619 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.285 9.190 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.089 10.777 5.612 1.00 0.00 H new ATOM 270 N GLY A 20 13.563 7.869 2.016 1.00 0.00 N ATOM 271 CA GLY A 20 14.235 7.585 0.762 1.00 0.00 C ATOM 272 C GLY A 20 13.782 6.226 0.227 1.00 0.00 C ATOM 273 O GLY A 20 12.574 5.989 0.074 1.00 0.00 O ATOM 0 H GLY A 20 13.357 7.022 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.012 8.365 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.315 7.586 0.909 1.00 0.00 H new ATOM 277 N PHE A 21 14.738 5.338 -0.040 1.00 0.00 N ATOM 278 CA PHE A 21 14.565 3.976 -0.547 1.00 0.00 C ATOM 279 C PHE A 21 15.733 3.130 -0.040 1.00 0.00 C ATOM 280 O PHE A 21 16.881 3.519 -0.263 1.00 0.00 O ATOM 281 CB PHE A 21 14.590 3.968 -2.089 1.00 0.00 C ATOM 282 CG PHE A 21 13.277 3.638 -2.774 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.316 4.632 -3.015 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.047 2.334 -3.240 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.148 4.327 -3.736 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.890 2.026 -3.972 1.00 0.00 C ATOM 287 CZ PHE A 21 10.935 3.024 -4.216 1.00 0.00 C ATOM 0 H PHE A 21 15.722 5.566 0.102 1.00 0.00 H new ATOM 0 HA PHE A 21 13.609 3.580 -0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.920 4.949 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.339 3.247 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.474 5.634 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.769 1.558 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.413 5.096 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.736 1.025 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.038 2.791 -4.771 1.00 0.00 H new ATOM 297 N VAL A 22 15.475 1.985 0.591 1.00 0.00 N ATOM 298 CA VAL A 22 16.518 1.084 1.091 1.00 0.00 C ATOM 299 C VAL A 22 16.331 -0.330 0.524 1.00 0.00 C ATOM 300 O VAL A 22 15.199 -0.783 0.328 1.00 0.00 O ATOM 301 CB VAL A 22 16.506 1.172 2.635 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.263 0.053 3.360 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.132 2.511 3.065 1.00 0.00 C ATOM 0 H VAL A 22 14.528 1.652 0.772 1.00 0.00 H new ATOM 0 HA VAL A 22 17.511 1.379 0.751 1.00 0.00 H new ATOM 0 HB VAL A 22 15.458 1.076 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.194 0.206 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.823 -0.910 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.310 0.067 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.128 2.582 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 22 18.158 2.566 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.554 3.334 2.645 1.00 0.00 H new ATOM 313 N THR A 23 17.444 -1.027 0.274 1.00 0.00 N ATOM 314 CA THR A 23 17.476 -2.433 -0.112 1.00 0.00 C ATOM 315 C THR A 23 17.118 -3.345 1.076 1.00 0.00 C ATOM 316 O THR A 23 17.557 -3.119 2.208 1.00 0.00 O ATOM 317 CB THR A 23 18.868 -2.738 -0.696 1.00 0.00 C ATOM 318 OG1 THR A 23 19.055 -2.063 -1.921 1.00 0.00 O ATOM 319 CG2 THR A 23 19.109 -4.220 -1.001 1.00 0.00 C ATOM 0 H THR A 23 18.373 -0.612 0.338 1.00 0.00 H new ATOM 0 HA THR A 23 16.723 -2.635 -0.874 1.00 0.00 H new ATOM 0 HB THR A 23 19.560 -2.410 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.632 -1.180 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.112 -4.349 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 23 19.013 -4.801 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.374 -4.566 -1.728 1.00 0.00 H new ATOM 327 N MET A 24 16.388 -4.434 0.812 1.00 0.00 N ATOM 328 CA MET A 24 16.272 -5.586 1.685 1.00 0.00 C ATOM 329 C MET A 24 16.849 -6.803 0.973 1.00 0.00 C ATOM 330 O MET A 24 16.990 -6.841 -0.253 1.00 0.00 O ATOM 331 CB MET A 24 14.824 -5.859 2.123 1.00 0.00 C ATOM 332 CG MET A 24 14.025 -4.601 2.440 1.00 0.00 C ATOM 333 SD MET A 24 12.274 -4.877 2.856 1.00 0.00 S ATOM 334 CE MET A 24 12.465 -5.849 4.373 1.00 0.00 C ATOM 0 H MET A 24 15.847 -4.532 -0.047 1.00 0.00 H new ATOM 0 HA MET A 24 16.833 -5.375 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.314 -6.411 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.837 -6.501 3.004 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.503 -4.087 3.274 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.076 -3.932 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.591 -5.707 5.009 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.561 -6.905 4.119 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.358 -5.521 4.905 1.00 0.00 H new ATOM 344 N ILE A 25 17.138 -7.816 1.774 1.00 0.00 N ATOM 345 CA ILE A 25 17.887 -9.018 1.442 1.00 0.00 C ATOM 346 C ILE A 25 16.989 -10.193 1.797 1.00 0.00 C ATOM 347 O ILE A 25 16.520 -10.291 2.934 1.00 0.00 O ATOM 348 CB ILE A 25 19.217 -9.073 2.236 1.00 0.00 C ATOM 349 CG1 ILE A 25 20.080 -7.799 2.099 1.00 0.00 C ATOM 350 CG2 ILE A 25 20.044 -10.332 1.886 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.524 -7.449 0.673 1.00 0.00 C ATOM 0 H ILE A 25 16.832 -7.820 2.747 1.00 0.00 H new ATOM 0 HA ILE A 25 18.155 -9.038 0.386 1.00 0.00 H new ATOM 0 HB ILE A 25 18.919 -9.131 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.518 -6.956 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.969 -7.916 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.968 -10.332 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.466 -11.225 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.281 -10.327 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.123 -6.539 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.119 -8.267 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.646 -7.293 0.047 1.00 0.00 H new ATOM 363 N LEU A 26 16.771 -11.095 0.842 1.00 0.00 N ATOM 364 CA LEU A 26 16.005 -12.322 0.988 1.00 0.00 C ATOM 365 C LEU A 26 16.963 -13.482 0.789 1.00 0.00 C ATOM 366 O LEU A 26 17.232 -13.874 -0.348 1.00 0.00 O ATOM 367 CB LEU A 26 14.871 -12.389 -0.048 1.00 0.00 C ATOM 368 CG LEU A 26 13.528 -11.902 0.488 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.586 -10.415 0.866 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.443 -12.136 -0.561 1.00 0.00 C ATOM 0 H LEU A 26 17.144 -10.980 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 26 15.546 -12.361 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.146 -11.789 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.764 -13.418 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 26 13.292 -12.467 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.614 -10.098 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.342 -10.265 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.843 -9.826 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.484 -11.788 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.691 -11.587 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.378 -13.200 -0.786 1.00 0.00 H new ATOM 382 N GLN A 27 17.490 -14.020 1.880 1.00 0.00 N ATOM 383 CA GLN A 27 18.077 -15.345 1.884 1.00 0.00 C ATOM 384 C GLN A 27 16.938 -16.366 1.957 1.00 0.00 C ATOM 385 O GLN A 27 15.925 -16.120 2.620 1.00 0.00 O ATOM 386 CB GLN A 27 19.040 -15.491 3.072 1.00 0.00 C ATOM 387 CG GLN A 27 20.114 -14.386 3.064 1.00 0.00 C ATOM 388 CD GLN A 27 21.424 -14.826 3.698 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.782 -14.440 4.809 1.00 0.00 O ATOM 390 NE2 GLN A 27 22.191 -15.630 2.985 1.00 0.00 N ATOM 0 H GLN A 27 17.521 -13.548 2.784 1.00 0.00 H new ATOM 0 HA GLN A 27 18.656 -15.514 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.478 -15.448 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.521 -16.468 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.301 -14.076 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.734 -13.514 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.884 -15.944 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 27 23.091 -15.937 3.355 1.00 0.00 H new ATOM 399 N CYS A 28 17.122 -17.509 1.295 1.00 0.00 N ATOM 400 CA CYS A 28 16.260 -18.673 1.385 1.00 0.00 C ATOM 401 C CYS A 28 17.148 -19.898 1.628 1.00 0.00 C ATOM 402 O CYS A 28 18.332 -19.907 1.264 1.00 0.00 O ATOM 403 CB CYS A 28 15.483 -18.764 0.066 1.00 0.00 C ATOM 404 SG CYS A 28 14.081 -19.908 0.148 1.00 0.00 S ATOM 0 H CYS A 28 17.907 -17.648 0.659 1.00 0.00 H new ATOM 0 HA CYS A 28 15.544 -18.612 2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.120 -17.772 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.160 -19.083 -0.727 1.00 0.00 H new ATOM 0 HG CYS A 28 12.973 -19.249 -0.020 1.00 0.00 H new ATOM 410 N SER A 29 16.583 -20.968 2.189 1.00 0.00 N ATOM 411 CA SER A 29 17.341 -22.181 2.478 1.00 0.00 C ATOM 412 C SER A 29 17.439 -23.144 1.280 1.00 0.00 C ATOM 413 O SER A 29 17.968 -24.250 1.436 1.00 0.00 O ATOM 414 CB SER A 29 16.791 -22.839 3.746 1.00 0.00 C ATOM 415 OG SER A 29 15.498 -23.389 3.602 1.00 0.00 O ATOM 0 H SER A 29 15.599 -21.017 2.452 1.00 0.00 H new ATOM 0 HA SER A 29 18.376 -21.897 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.476 -23.628 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.771 -22.099 4.546 1.00 0.00 H new ATOM 0 HG SER A 29 15.217 -23.791 4.450 1.00 0.00 H new ATOM 421 N ILE A 30 16.904 -22.769 0.109 1.00 0.00 N ATOM 422 CA ILE A 30 16.735 -23.625 -1.066 1.00 0.00 C ATOM 423 C ILE A 30 17.024 -22.824 -2.346 1.00 0.00 C ATOM 424 O ILE A 30 17.094 -21.594 -2.305 1.00 0.00 O ATOM 425 CB ILE A 30 15.309 -24.235 -1.080 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.209 -23.157 -1.223 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.063 -25.062 0.196 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.842 -23.713 -1.627 1.00 0.00 C ATOM 0 H ILE A 30 16.564 -21.820 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 30 17.447 -24.449 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 30 15.252 -24.884 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.109 -22.627 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.526 -22.425 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.058 -25.482 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.793 -25.870 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.164 -24.420 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.126 -22.895 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.925 -24.218 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.501 -24.423 -0.873 1.00 0.00 H new ATOM 440 N GLU A 31 17.172 -23.514 -3.481 1.00 0.00 N ATOM 441 CA GLU A 31 17.432 -22.888 -4.774 1.00 0.00 C ATOM 442 C GLU A 31 16.200 -22.148 -5.280 1.00 0.00 C ATOM 443 O GLU A 31 15.078 -22.640 -5.135 1.00 0.00 O ATOM 444 CB GLU A 31 17.898 -23.954 -5.785 1.00 0.00 C ATOM 445 CG GLU A 31 18.461 -23.335 -7.076 1.00 0.00 C ATOM 446 CD GLU A 31 18.791 -24.390 -8.131 1.00 0.00 C ATOM 447 OE1 GLU A 31 17.863 -24.879 -8.816 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.990 -24.670 -8.345 1.00 0.00 O ATOM 0 H GLU A 31 17.114 -24.531 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 31 18.226 -22.151 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.662 -24.579 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.060 -24.605 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.736 -22.631 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.361 -22.766 -6.841 1.00 0.00 H new ATOM 455 N MET A 32 16.410 -21.012 -5.951 1.00 0.00 N ATOM 456 CA MET A 32 15.367 -20.233 -6.591 1.00 0.00 C ATOM 457 C MET A 32 15.607 -20.236 -8.118 1.00 0.00 C ATOM 458 O MET A 32 16.134 -19.264 -8.671 1.00 0.00 O ATOM 459 CB MET A 32 15.343 -18.843 -5.942 1.00 0.00 C ATOM 460 CG MET A 32 14.917 -18.912 -4.461 1.00 0.00 C ATOM 461 SD MET A 32 15.781 -17.784 -3.338 1.00 0.00 S ATOM 462 CE MET A 32 15.471 -16.207 -4.154 1.00 0.00 C ATOM 0 H MET A 32 17.339 -20.605 -6.062 1.00 0.00 H new ATOM 0 HA MET A 32 14.373 -20.658 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.332 -18.390 -6.016 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.655 -18.198 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.848 -18.707 -4.400 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.066 -19.932 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.732 -15.391 -3.480 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.077 -16.140 -5.058 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.416 -16.135 -4.419 1.00 0.00 H new ATOM 472 N PRO A 33 15.243 -21.320 -8.833 1.00 0.00 N ATOM 473 CA PRO A 33 15.438 -21.455 -10.281 1.00 0.00 C ATOM 474 C PRO A 33 14.599 -20.472 -11.108 1.00 0.00 C ATOM 475 O PRO A 33 14.864 -20.288 -12.297 1.00 0.00 O ATOM 476 CB PRO A 33 15.066 -22.905 -10.615 1.00 0.00 C ATOM 477 CG PRO A 33 14.134 -23.317 -9.484 1.00 0.00 C ATOM 478 CD PRO A 33 14.715 -22.563 -8.297 1.00 0.00 C ATOM 0 HA PRO A 33 16.470 -21.217 -10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.573 -22.977 -11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.948 -23.544 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.101 -23.030 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.140 -24.395 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.950 -22.370 -7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.500 -23.144 -7.812 1.00 0.00 H new ATOM 486 N ASN A 34 13.610 -19.822 -10.493 1.00 0.00 N ATOM 487 CA ASN A 34 12.873 -18.684 -11.037 1.00 0.00 C ATOM 488 C ASN A 34 12.749 -17.621 -9.956 1.00 0.00 C ATOM 489 O ASN A 34 12.840 -17.922 -8.763 1.00 0.00 O ATOM 490 CB ASN A 34 11.469 -19.080 -11.521 1.00 0.00 C ATOM 491 CG ASN A 34 10.617 -19.697 -10.417 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.124 -19.017 -9.524 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.455 -21.004 -10.421 1.00 0.00 N ATOM 0 H ASN A 34 13.288 -20.087 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 34 13.423 -18.305 -11.898 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.963 -18.198 -11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.560 -19.789 -12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.918 -21.454 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.867 -21.567 -11.166 1.00 0.00 H new ATOM 500 N ILE A 35 12.529 -16.378 -10.384 1.00 0.00 N ATOM 501 CA ILE A 35 12.339 -15.242 -9.486 1.00 0.00 C ATOM 502 C ILE A 35 10.998 -15.319 -8.749 1.00 0.00 C ATOM 503 O ILE A 35 10.883 -14.838 -7.618 1.00 0.00 O ATOM 504 CB ILE A 35 12.507 -13.918 -10.269 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.837 -12.793 -9.273 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.314 -13.583 -11.182 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.407 -11.539 -9.937 1.00 0.00 C ATOM 0 H ILE A 35 12.477 -16.131 -11.372 1.00 0.00 H new ATOM 0 HA ILE A 35 13.107 -15.275 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 35 13.338 -14.034 -10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.933 -12.526 -8.726 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.554 -13.165 -8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.504 -12.642 -11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.182 -14.379 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.410 -13.491 -10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.616 -10.787 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.329 -11.792 -10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.682 -11.143 -10.648 1.00 0.00 H new ATOM 519 N SER A 36 9.999 -15.943 -9.371 1.00 0.00 N ATOM 520 CA SER A 36 8.626 -16.052 -8.912 1.00 0.00 C ATOM 521 C SER A 36 8.513 -16.744 -7.543 1.00 0.00 C ATOM 522 O SER A 36 7.498 -16.585 -6.864 1.00 0.00 O ATOM 523 CB SER A 36 7.817 -16.780 -9.997 1.00 0.00 C ATOM 524 OG SER A 36 8.278 -16.451 -11.303 1.00 0.00 O ATOM 0 H SER A 36 10.142 -16.414 -10.265 1.00 0.00 H new ATOM 0 HA SER A 36 8.219 -15.053 -8.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.890 -17.857 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.763 -16.516 -9.905 1.00 0.00 H new ATOM 0 HG SER A 36 7.744 -16.932 -11.969 1.00 0.00 H new ATOM 530 N TYR A 37 9.561 -17.454 -7.106 1.00 0.00 N ATOM 531 CA TYR A 37 9.726 -17.980 -5.760 1.00 0.00 C ATOM 532 C TYR A 37 9.493 -16.883 -4.724 1.00 0.00 C ATOM 533 O TYR A 37 8.593 -17.010 -3.889 1.00 0.00 O ATOM 534 CB TYR A 37 11.134 -18.586 -5.594 1.00 0.00 C ATOM 535 CG TYR A 37 11.173 -20.095 -5.656 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.930 -20.830 -4.481 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.445 -20.765 -6.864 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.983 -22.230 -4.501 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.483 -22.172 -6.895 1.00 0.00 C ATOM 540 CZ TYR A 37 11.278 -22.905 -5.702 1.00 0.00 C ATOM 541 OH TYR A 37 11.327 -24.260 -5.684 1.00 0.00 O ATOM 0 H TYR A 37 10.347 -17.683 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 37 8.987 -18.765 -5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.783 -18.185 -6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.546 -18.263 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.702 -20.313 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.624 -20.200 -7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.798 -22.791 -3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.668 -22.689 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 37 11.539 -24.592 -6.581 1.00 0.00 H new ATOM 551 N ALA A 38 10.306 -15.821 -4.753 1.00 0.00 N ATOM 552 CA ALA A 38 10.221 -14.788 -3.727 1.00 0.00 C ATOM 553 C ALA A 38 8.910 -14.030 -3.855 1.00 0.00 C ATOM 554 O ALA A 38 8.286 -13.730 -2.845 1.00 0.00 O ATOM 555 CB ALA A 38 11.397 -13.820 -3.826 1.00 0.00 C ATOM 0 H ALA A 38 11.018 -15.659 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 38 10.260 -15.274 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.309 -13.060 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.331 -14.367 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.392 -13.341 -4.805 1.00 0.00 H new ATOM 561 N TRP A 39 8.487 -13.729 -5.085 1.00 0.00 N ATOM 562 CA TRP A 39 7.253 -13.001 -5.318 1.00 0.00 C ATOM 563 C TRP A 39 6.045 -13.728 -4.761 1.00 0.00 C ATOM 564 O TRP A 39 5.191 -13.069 -4.184 1.00 0.00 O ATOM 565 CB TRP A 39 7.062 -12.722 -6.804 1.00 0.00 C ATOM 566 CG TRP A 39 7.963 -11.662 -7.336 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.851 -11.820 -8.341 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.070 -10.270 -6.909 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.471 -10.617 -8.604 1.00 0.00 N ATOM 570 CE2 TRP A 39 9.063 -9.641 -7.720 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.431 -9.479 -5.918 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.439 -8.309 -7.523 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.819 -8.141 -5.706 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.835 -7.594 -6.486 1.00 0.00 C ATOM 0 H TRP A 39 8.990 -13.983 -5.935 1.00 0.00 H new ATOM 0 HA TRP A 39 7.339 -12.053 -4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.231 -13.643 -7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.027 -12.428 -6.979 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.046 -12.747 -8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.144 -10.468 -9.355 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.640 -9.907 -5.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.179 -7.844 -8.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.334 -7.546 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.166 -6.586 -6.283 1.00 0.00 H new ATOM 585 N LYS A 40 5.951 -15.052 -4.920 1.00 0.00 N ATOM 586 CA LYS A 40 4.884 -15.829 -4.307 1.00 0.00 C ATOM 587 C LYS A 40 4.863 -15.568 -2.807 1.00 0.00 C ATOM 588 O LYS A 40 3.815 -15.190 -2.300 1.00 0.00 O ATOM 589 CB LYS A 40 5.026 -17.314 -4.675 1.00 0.00 C ATOM 590 CG LYS A 40 4.046 -18.212 -3.902 1.00 0.00 C ATOM 591 CD LYS A 40 4.756 -19.015 -2.799 1.00 0.00 C ATOM 592 CE LYS A 40 5.258 -20.345 -3.364 1.00 0.00 C ATOM 593 NZ LYS A 40 6.075 -21.075 -2.385 1.00 0.00 N ATOM 0 H LYS A 40 6.607 -15.605 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 40 3.914 -15.517 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.858 -17.437 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.047 -17.638 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.263 -17.597 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.558 -18.898 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.592 -18.441 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.071 -19.197 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.408 -20.960 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.845 -20.160 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.398 -21.971 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.900 -20.498 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.506 -21.273 -1.537 1.00 0.00 H new ATOM 607 N GLU A 41 5.990 -15.772 -2.126 1.00 0.00 N ATOM 608 CA GLU A 41 6.084 -15.682 -0.671 1.00 0.00 C ATOM 609 C GLU A 41 5.698 -14.286 -0.191 1.00 0.00 C ATOM 610 O GLU A 41 4.859 -14.122 0.694 1.00 0.00 O ATOM 611 CB GLU A 41 7.521 -16.030 -0.236 1.00 0.00 C ATOM 612 CG GLU A 41 7.542 -17.094 0.861 1.00 0.00 C ATOM 613 CD GLU A 41 7.140 -18.471 0.306 1.00 0.00 C ATOM 614 OE1 GLU A 41 8.012 -19.203 -0.219 1.00 0.00 O ATOM 615 OE2 GLU A 41 5.933 -18.791 0.265 1.00 0.00 O ATOM 0 H GLU A 41 6.875 -16.007 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 41 5.389 -16.391 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.085 -16.386 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.020 -15.130 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.539 -17.151 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.860 -16.808 1.662 1.00 0.00 H new ATOM 622 N LEU A 42 6.322 -13.275 -0.798 1.00 0.00 N ATOM 623 CA LEU A 42 6.130 -11.878 -0.451 1.00 0.00 C ATOM 624 C LEU A 42 4.681 -11.478 -0.649 1.00 0.00 C ATOM 625 O LEU A 42 4.113 -10.862 0.244 1.00 0.00 O ATOM 626 CB LEU A 42 7.072 -11.001 -1.285 1.00 0.00 C ATOM 627 CG LEU A 42 8.517 -11.063 -0.763 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.478 -10.570 -1.840 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.698 -10.191 0.481 1.00 0.00 C ATOM 0 H LEU A 42 6.987 -13.414 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 42 6.371 -11.732 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.046 -11.326 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.722 -9.969 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 42 8.730 -12.100 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.500 -10.616 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.388 -11.200 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.234 -9.540 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.730 -10.257 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.463 -9.155 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.030 -10.539 1.269 1.00 0.00 H new ATOM 641 N LYS A 43 4.079 -11.831 -1.787 1.00 0.00 N ATOM 642 CA LYS A 43 2.674 -11.552 -2.035 1.00 0.00 C ATOM 643 C LYS A 43 1.794 -12.246 -0.989 1.00 0.00 C ATOM 644 O LYS A 43 0.869 -11.606 -0.498 1.00 0.00 O ATOM 645 CB LYS A 43 2.298 -11.984 -3.462 1.00 0.00 C ATOM 646 CG LYS A 43 2.768 -10.992 -4.552 1.00 0.00 C ATOM 647 CD LYS A 43 2.476 -11.555 -5.954 1.00 0.00 C ATOM 648 CE LYS A 43 2.873 -10.569 -7.056 1.00 0.00 C ATOM 649 NZ LYS A 43 2.348 -10.984 -8.374 1.00 0.00 N ATOM 0 H LYS A 43 4.551 -12.313 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 43 2.503 -10.479 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.732 -12.964 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.216 -12.095 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.261 -10.036 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.836 -10.803 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.019 -12.490 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.414 -11.787 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.496 -9.576 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.959 -10.494 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.636 -10.293 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.728 -11.920 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.310 -11.031 -8.335 1.00 0.00 H new ATOM 663 N GLU A 44 2.087 -13.500 -0.635 1.00 0.00 N ATOM 664 CA GLU A 44 1.246 -14.315 0.242 1.00 0.00 C ATOM 665 C GLU A 44 1.070 -13.656 1.610 1.00 0.00 C ATOM 666 O GLU A 44 -0.032 -13.680 2.156 1.00 0.00 O ATOM 667 CB GLU A 44 1.851 -15.726 0.383 1.00 0.00 C ATOM 668 CG GLU A 44 0.818 -16.848 0.543 1.00 0.00 C ATOM 669 CD GLU A 44 0.252 -17.023 1.955 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.041 -17.248 2.905 1.00 0.00 O ATOM 671 OE2 GLU A 44 -0.987 -17.093 2.093 1.00 0.00 O ATOM 0 H GLU A 44 2.927 -13.983 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 44 0.257 -14.400 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.462 -15.935 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.517 -15.737 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.009 -16.657 -0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.276 -17.788 0.235 1.00 0.00 H new ATOM 678 N GLN A 45 2.133 -13.063 2.168 1.00 0.00 N ATOM 679 CA GLN A 45 2.064 -12.400 3.470 1.00 0.00 C ATOM 680 C GLN A 45 1.793 -10.906 3.323 1.00 0.00 C ATOM 681 O GLN A 45 0.889 -10.370 3.969 1.00 0.00 O ATOM 682 CB GLN A 45 3.354 -12.620 4.273 1.00 0.00 C ATOM 683 CG GLN A 45 3.553 -14.104 4.599 1.00 0.00 C ATOM 684 CD GLN A 45 4.511 -14.340 5.765 1.00 0.00 C ATOM 685 OE1 GLN A 45 5.591 -14.905 5.602 1.00 0.00 O ATOM 686 NE2 GLN A 45 4.126 -13.975 6.980 1.00 0.00 N ATOM 0 H GLN A 45 3.055 -13.031 1.733 1.00 0.00 H new ATOM 0 HA GLN A 45 1.232 -12.849 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.208 -12.252 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.314 -12.043 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.587 -14.550 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.934 -14.616 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.230 -13.507 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.726 -14.163 7.783 1.00 0.00 H new ATOM 695 N LEU A 46 2.598 -10.207 2.519 1.00 0.00 N ATOM 696 CA LEU A 46 2.558 -8.753 2.491 1.00 0.00 C ATOM 697 C LEU A 46 1.331 -8.226 1.750 1.00 0.00 C ATOM 698 O LEU A 46 0.971 -7.064 1.953 1.00 0.00 O ATOM 699 CB LEU A 46 3.815 -8.151 1.849 1.00 0.00 C ATOM 700 CG LEU A 46 5.158 -8.380 2.574 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.325 -8.012 1.660 1.00 0.00 C ATOM 702 CD2 LEU A 46 5.216 -7.592 3.861 1.00 0.00 C ATOM 0 H LEU A 46 3.279 -10.626 1.885 1.00 0.00 H new ATOM 0 HA LEU A 46 2.507 -8.444 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.904 -8.553 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.663 -7.076 1.752 1.00 0.00 H new ATOM 0 HG LEU A 46 5.237 -9.438 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.265 -8.179 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.295 -8.632 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.249 -6.962 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.172 -7.770 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.113 -6.529 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.405 -7.907 4.518 1.00 0.00 H new ATOM 714 N GLY A 47 0.689 -9.051 0.923 1.00 0.00 N ATOM 715 CA GLY A 47 -0.463 -8.723 0.104 1.00 0.00 C ATOM 716 C GLY A 47 -0.055 -8.675 -1.363 1.00 0.00 C ATOM 717 O GLY A 47 1.046 -8.215 -1.688 1.00 0.00 O ATOM 0 H GLY A 47 0.981 -10.021 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.247 -9.466 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.875 -7.761 0.408 1.00 0.00 H new ATOM 721 N GLU A 48 -0.945 -9.116 -2.257 1.00 0.00 N ATOM 722 CA GLU A 48 -0.613 -9.499 -3.627 1.00 0.00 C ATOM 723 C GLU A 48 -0.180 -8.332 -4.532 1.00 0.00 C ATOM 724 O GLU A 48 0.281 -8.557 -5.653 1.00 0.00 O ATOM 725 CB GLU A 48 -1.777 -10.319 -4.239 1.00 0.00 C ATOM 726 CG GLU A 48 -1.342 -11.786 -4.402 1.00 0.00 C ATOM 727 CD GLU A 48 -2.278 -12.716 -5.176 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.304 -12.278 -5.729 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.927 -13.920 -5.263 1.00 0.00 O ATOM 0 H GLU A 48 -1.937 -9.218 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 48 0.277 -10.126 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.656 -10.258 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.060 -9.903 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.371 -11.796 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.196 -12.207 -3.407 1.00 0.00 H new ATOM 736 N GLU A 49 -0.287 -7.094 -4.054 1.00 0.00 N ATOM 737 CA GLU A 49 -0.006 -5.870 -4.801 1.00 0.00 C ATOM 738 C GLU A 49 1.428 -5.356 -4.625 1.00 0.00 C ATOM 739 O GLU A 49 1.789 -4.310 -5.174 1.00 0.00 O ATOM 740 CB GLU A 49 -1.000 -4.794 -4.331 1.00 0.00 C ATOM 741 CG GLU A 49 -2.421 -5.048 -4.840 1.00 0.00 C ATOM 742 CD GLU A 49 -2.638 -4.638 -6.300 1.00 0.00 C ATOM 743 OE1 GLU A 49 -1.664 -4.530 -7.086 1.00 0.00 O ATOM 744 OE2 GLU A 49 -3.822 -4.437 -6.664 1.00 0.00 O ATOM 0 H GLU A 49 -0.584 -6.909 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.116 -6.094 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.008 -4.762 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.663 -3.817 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.651 -6.108 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.125 -4.503 -4.211 1.00 0.00 H new ATOM 751 N ILE A 50 2.262 -6.055 -3.850 1.00 0.00 N ATOM 752 CA ILE A 50 3.548 -5.508 -3.444 1.00 0.00 C ATOM 753 C ILE A 50 4.562 -5.380 -4.599 1.00 0.00 C ATOM 754 O ILE A 50 5.618 -4.766 -4.438 1.00 0.00 O ATOM 755 CB ILE A 50 4.082 -6.278 -2.224 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.189 -5.433 -1.566 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.531 -7.711 -2.562 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.854 -4.979 -0.150 1.00 0.00 C ATOM 0 H ILE A 50 2.067 -6.992 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 50 3.390 -4.474 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 50 3.272 -6.422 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.111 -6.013 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.380 -4.555 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.897 -8.200 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.686 -8.272 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.328 -7.677 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.680 -4.389 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.949 -4.371 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.693 -5.851 0.483 1.00 0.00 H new ATOM 770 N ASP A 51 4.248 -5.883 -5.794 1.00 0.00 N ATOM 771 CA ASP A 51 5.019 -5.611 -7.008 1.00 0.00 C ATOM 772 C ASP A 51 5.012 -4.129 -7.395 1.00 0.00 C ATOM 773 O ASP A 51 5.805 -3.736 -8.247 1.00 0.00 O ATOM 774 CB ASP A 51 4.546 -6.471 -8.185 1.00 0.00 C ATOM 775 CG ASP A 51 3.175 -6.068 -8.743 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.256 -5.735 -7.958 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.943 -6.269 -9.955 1.00 0.00 O ATOM 0 H ASP A 51 3.446 -6.495 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 51 6.049 -5.881 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.284 -6.411 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.505 -7.513 -7.867 1.00 0.00 H new ATOM 782 N SER A 52 4.189 -3.288 -6.760 1.00 0.00 N ATOM 783 CA SER A 52 4.252 -1.841 -6.922 1.00 0.00 C ATOM 784 C SER A 52 5.316 -1.195 -6.014 1.00 0.00 C ATOM 785 O SER A 52 5.875 -0.163 -6.378 1.00 0.00 O ATOM 786 CB SER A 52 2.854 -1.275 -6.640 1.00 0.00 C ATOM 787 OG SER A 52 2.719 0.055 -7.116 1.00 0.00 O ATOM 0 H SER A 52 3.460 -3.598 -6.118 1.00 0.00 H new ATOM 0 HA SER A 52 4.556 -1.605 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.103 -1.908 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.662 -1.299 -5.567 1.00 0.00 H new ATOM 0 HG SER A 52 1.816 0.382 -6.921 1.00 0.00 H new ATOM 793 N LYS A 53 5.593 -1.739 -4.820 1.00 0.00 N ATOM 794 CA LYS A 53 6.426 -1.052 -3.812 1.00 0.00 C ATOM 795 C LYS A 53 7.927 -1.318 -4.007 1.00 0.00 C ATOM 796 O LYS A 53 8.724 -1.059 -3.114 1.00 0.00 O ATOM 797 CB LYS A 53 5.967 -1.400 -2.381 1.00 0.00 C ATOM 798 CG LYS A 53 4.741 -0.631 -1.875 1.00 0.00 C ATOM 799 CD LYS A 53 3.408 -1.008 -2.536 1.00 0.00 C ATOM 800 CE LYS A 53 2.238 -0.473 -1.698 1.00 0.00 C ATOM 801 NZ LYS A 53 2.023 0.979 -1.866 1.00 0.00 N ATOM 0 H LYS A 53 5.253 -2.654 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 53 6.283 0.019 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.748 -2.467 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.796 -1.217 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.652 -0.790 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.914 0.435 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.363 -0.596 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.333 -2.091 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.327 -1.004 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.424 -0.688 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.221 1.282 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.879 1.493 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.817 1.186 -2.864 1.00 0.00 H new ATOM 815 N VAL A 54 8.343 -1.860 -5.143 1.00 0.00 N ATOM 816 CA VAL A 54 9.688 -2.388 -5.369 1.00 0.00 C ATOM 817 C VAL A 54 10.327 -1.631 -6.542 1.00 0.00 C ATOM 818 O VAL A 54 9.639 -1.106 -7.409 1.00 0.00 O ATOM 819 CB VAL A 54 9.545 -3.907 -5.642 1.00 0.00 C ATOM 820 CG1 VAL A 54 8.426 -4.132 -6.653 1.00 0.00 C ATOM 821 CG2 VAL A 54 10.838 -4.621 -6.045 1.00 0.00 C ATOM 0 H VAL A 54 7.738 -1.949 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 54 10.341 -2.250 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 54 9.288 -4.372 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.321 -5.199 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.490 -3.743 -6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.666 -3.615 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.633 -5.678 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.229 -4.177 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.575 -4.517 -5.248 1.00 0.00 H new ATOM 831 N LYS A 55 11.658 -1.629 -6.604 1.00 0.00 N ATOM 832 CA LYS A 55 12.456 -1.156 -7.741 1.00 0.00 C ATOM 833 C LYS A 55 12.647 -2.159 -8.885 1.00 0.00 C ATOM 834 O LYS A 55 13.267 -1.860 -9.905 1.00 0.00 O ATOM 835 CB LYS A 55 13.817 -0.762 -7.198 1.00 0.00 C ATOM 836 CG LYS A 55 13.677 0.572 -6.464 1.00 0.00 C ATOM 837 CD LYS A 55 14.767 1.569 -6.843 1.00 0.00 C ATOM 838 CE LYS A 55 14.321 2.937 -6.346 1.00 0.00 C ATOM 839 NZ LYS A 55 15.281 4.010 -6.676 1.00 0.00 N ATOM 0 H LYS A 55 12.235 -1.970 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 55 11.905 -0.328 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.192 -1.530 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.538 -0.674 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.701 1.004 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.709 0.396 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.719 1.288 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.917 1.582 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.351 3.178 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.184 2.898 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.925 4.918 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.201 3.799 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.394 4.070 -7.708 1.00 0.00 H new ATOM 853 N GLY A 56 12.165 -3.377 -8.697 1.00 0.00 N ATOM 854 CA GLY A 56 12.064 -4.412 -9.728 1.00 0.00 C ATOM 855 C GLY A 56 12.732 -5.753 -9.407 1.00 0.00 C ATOM 856 O GLY A 56 12.546 -6.680 -10.187 1.00 0.00 O ATOM 0 H GLY A 56 11.819 -3.689 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.008 -4.594 -9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.501 -4.023 -10.648 1.00 0.00 H new ATOM 860 N MET A 57 13.399 -5.883 -8.251 1.00 0.00 N ATOM 861 CA MET A 57 14.089 -7.043 -7.684 1.00 0.00 C ATOM 862 C MET A 57 15.178 -7.694 -8.552 1.00 0.00 C ATOM 863 O MET A 57 15.031 -7.848 -9.763 1.00 0.00 O ATOM 864 CB MET A 57 12.991 -8.014 -7.224 1.00 0.00 C ATOM 865 CG MET A 57 13.485 -9.298 -6.549 1.00 0.00 C ATOM 866 SD MET A 57 12.231 -10.599 -6.312 1.00 0.00 S ATOM 867 CE MET A 57 11.206 -9.906 -4.989 1.00 0.00 C ATOM 0 H MET A 57 13.474 -5.084 -7.622 1.00 0.00 H new ATOM 0 HA MET A 57 14.701 -6.706 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.334 -7.489 -6.530 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.387 -8.288 -8.089 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.300 -9.709 -7.144 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.901 -9.038 -5.575 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.233 -10.398 -4.987 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.695 -10.066 -4.028 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.072 -8.837 -5.155 1.00 0.00 H new ATOM 877 N VAL A 58 16.298 -8.079 -7.925 1.00 0.00 N ATOM 878 CA VAL A 58 17.463 -8.632 -8.609 1.00 0.00 C ATOM 879 C VAL A 58 18.042 -9.819 -7.832 1.00 0.00 C ATOM 880 O VAL A 58 17.986 -9.871 -6.602 1.00 0.00 O ATOM 881 CB VAL A 58 18.509 -7.525 -8.881 1.00 0.00 C ATOM 882 CG1 VAL A 58 17.913 -6.326 -9.638 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.182 -6.985 -7.613 1.00 0.00 C ATOM 0 H VAL A 58 16.417 -8.012 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 58 17.153 -9.020 -9.579 1.00 0.00 H new ATOM 0 HB VAL A 58 19.259 -8.025 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.689 -5.578 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.521 -6.661 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.107 -5.888 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.902 -6.213 -7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.426 -6.560 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.697 -7.797 -7.100 1.00 0.00 H new ATOM 893 N PHE A 59 18.564 -10.808 -8.561 1.00 0.00 N ATOM 894 CA PHE A 59 19.143 -12.016 -7.979 1.00 0.00 C ATOM 895 C PHE A 59 20.471 -11.709 -7.281 1.00 0.00 C ATOM 896 O PHE A 59 21.248 -10.874 -7.756 1.00 0.00 O ATOM 897 CB PHE A 59 19.327 -13.070 -9.079 1.00 0.00 C ATOM 898 CG PHE A 59 18.152 -14.022 -9.213 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.085 -15.143 -8.367 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.150 -13.833 -10.187 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.009 -16.043 -8.455 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.094 -14.748 -10.293 1.00 0.00 C ATOM 903 CZ PHE A 59 15.996 -15.826 -9.399 1.00 0.00 C ATOM 0 H PHE A 59 18.596 -10.791 -9.580 1.00 0.00 H new ATOM 0 HA PHE A 59 18.464 -12.407 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.485 -12.565 -10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.229 -13.646 -8.871 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.868 -15.314 -7.643 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.196 -12.983 -10.851 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.963 -16.899 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.351 -14.623 -11.067 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.142 -16.486 -9.439 1.00 0.00 H new ATOM 913 N LEU A 60 20.773 -12.449 -6.208 1.00 0.00 N ATOM 914 CA LEU A 60 22.050 -12.391 -5.493 1.00 0.00 C ATOM 915 C LEU A 60 23.128 -13.223 -6.205 1.00 0.00 C ATOM 916 O LEU A 60 22.905 -13.764 -7.293 1.00 0.00 O ATOM 917 CB LEU A 60 21.854 -12.837 -4.025 1.00 0.00 C ATOM 918 CG LEU A 60 21.101 -11.812 -3.153 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.950 -12.356 -1.729 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.821 -10.460 -3.077 1.00 0.00 C ATOM 0 H LEU A 60 20.120 -13.120 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 60 22.402 -11.360 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.308 -13.780 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.831 -13.029 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 60 20.129 -11.656 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.417 -11.629 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.389 -13.290 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.936 -12.537 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.247 -9.777 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.813 -10.600 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.915 -10.041 -4.079 1.00 0.00 H new ATOM 932 N LYS A 61 24.319 -13.291 -5.599 1.00 0.00 N ATOM 933 CA LYS A 61 25.532 -13.918 -6.134 1.00 0.00 C ATOM 934 C LYS A 61 25.481 -15.446 -6.165 1.00 0.00 C ATOM 935 O LYS A 61 26.208 -16.092 -6.917 1.00 0.00 O ATOM 936 CB LYS A 61 26.716 -13.366 -5.313 1.00 0.00 C ATOM 937 CG LYS A 61 28.120 -13.796 -5.770 1.00 0.00 C ATOM 938 CD LYS A 61 28.677 -15.050 -5.073 1.00 0.00 C ATOM 939 CE LYS A 61 28.895 -14.926 -3.560 1.00 0.00 C ATOM 940 NZ LYS A 61 29.847 -13.854 -3.218 1.00 0.00 N ATOM 0 H LYS A 61 24.470 -12.889 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 61 25.644 -13.661 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.668 -12.277 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.585 -13.672 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.096 -13.977 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.809 -12.969 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.994 -15.879 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.627 -15.311 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.940 -14.730 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.264 -15.874 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.988 -13.831 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.757 -14.035 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.469 -12.939 -3.536 1.00 0.00 H new ATOM 954 N GLY A 62 24.607 -16.038 -5.374 1.00 0.00 N ATOM 955 CA GLY A 62 24.337 -17.468 -5.335 1.00 0.00 C ATOM 956 C GLY A 62 22.836 -17.663 -5.413 1.00 0.00 C ATOM 957 O GLY A 62 22.099 -16.880 -4.806 1.00 0.00 O ATOM 0 H GLY A 62 24.038 -15.514 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.831 -17.972 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.731 -17.905 -4.418 1.00 0.00 H new ATOM 961 N LYS A 63 22.409 -18.739 -6.078 1.00 0.00 N ATOM 962 CA LYS A 63 21.039 -19.061 -6.498 1.00 0.00 C ATOM 963 C LYS A 63 20.068 -19.384 -5.344 1.00 0.00 C ATOM 964 O LYS A 63 19.100 -20.113 -5.547 1.00 0.00 O ATOM 965 CB LYS A 63 21.145 -20.218 -7.524 1.00 0.00 C ATOM 966 CG LYS A 63 20.089 -20.218 -8.646 1.00 0.00 C ATOM 967 CD LYS A 63 20.220 -18.990 -9.563 1.00 0.00 C ATOM 968 CE LYS A 63 19.545 -19.186 -10.928 1.00 0.00 C ATOM 969 NZ LYS A 63 20.359 -19.983 -11.872 1.00 0.00 N ATOM 0 H LYS A 63 23.064 -19.468 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 63 20.591 -18.174 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.134 -20.183 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.076 -21.163 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.192 -21.126 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.092 -20.236 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.780 -18.125 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.276 -18.768 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.583 -19.678 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.341 -18.210 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.850 -20.080 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.267 -19.504 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.533 -20.926 -11.470 1.00 0.00 H new ATOM 983 N LEU A 64 20.327 -18.881 -4.132 1.00 0.00 N ATOM 984 CA LEU A 64 19.590 -19.120 -2.887 1.00 0.00 C ATOM 985 C LEU A 64 19.147 -17.797 -2.247 1.00 0.00 C ATOM 986 O LEU A 64 18.939 -17.727 -1.033 1.00 0.00 O ATOM 987 CB LEU A 64 20.442 -19.884 -1.856 1.00 0.00 C ATOM 988 CG LEU A 64 21.339 -21.015 -2.368 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.197 -21.481 -1.201 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.537 -22.171 -2.935 1.00 0.00 C ATOM 0 H LEU A 64 21.115 -18.250 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 64 18.720 -19.720 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.075 -19.160 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.768 -20.303 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 64 21.958 -20.644 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.851 -22.289 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.802 -20.649 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.554 -21.839 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.216 -22.948 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.888 -22.579 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.929 -21.818 -3.768 1.00 0.00 H new ATOM 1002 N GLY A 65 19.120 -16.698 -2.998 1.00 0.00 N ATOM 1003 CA GLY A 65 18.598 -15.453 -2.475 1.00 0.00 C ATOM 1004 C GLY A 65 18.419 -14.392 -3.550 1.00 0.00 C ATOM 1005 O GLY A 65 18.845 -14.537 -4.702 1.00 0.00 O ATOM 0 H GLY A 65 19.452 -16.651 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.639 -15.640 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.273 -15.075 -1.707 1.00 0.00 H new ATOM 1009 N VAL A 66 17.760 -13.313 -3.165 1.00 0.00 N ATOM 1010 CA VAL A 66 17.392 -12.202 -4.023 1.00 0.00 C ATOM 1011 C VAL A 66 17.449 -10.945 -3.143 1.00 0.00 C ATOM 1012 O VAL A 66 17.447 -11.046 -1.913 1.00 0.00 O ATOM 1013 CB VAL A 66 16.018 -12.542 -4.652 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.845 -12.455 -3.669 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.690 -11.729 -5.898 1.00 0.00 C ATOM 0 H VAL A 66 17.453 -13.182 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 66 18.056 -12.017 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 66 16.138 -13.584 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.918 -12.707 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.005 -13.154 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.776 -11.442 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.713 -12.025 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.675 -10.668 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.447 -11.911 -6.661 1.00 0.00 H new ATOM 1025 N CYS A 67 17.504 -9.758 -3.731 1.00 0.00 N ATOM 1026 CA CYS A 67 17.386 -8.500 -3.009 1.00 0.00 C ATOM 1027 C CYS A 67 16.531 -7.547 -3.833 1.00 0.00 C ATOM 1028 O CYS A 67 16.292 -7.778 -5.025 1.00 0.00 O ATOM 1029 CB CYS A 67 18.777 -7.924 -2.710 1.00 0.00 C ATOM 1030 SG CYS A 67 19.764 -7.791 -4.222 1.00 0.00 S ATOM 0 H CYS A 67 17.634 -9.641 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 67 16.899 -8.656 -2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.676 -6.941 -2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.291 -8.561 -1.991 1.00 0.00 H new ATOM 0 HG CYS A 67 20.933 -7.299 -3.935 1.00 0.00 H new ATOM 1036 N PHE A 68 16.023 -6.491 -3.202 1.00 0.00 N ATOM 1037 CA PHE A 68 15.300 -5.436 -3.885 1.00 0.00 C ATOM 1038 C PHE A 68 15.263 -4.190 -3.015 1.00 0.00 C ATOM 1039 O PHE A 68 15.281 -4.287 -1.791 1.00 0.00 O ATOM 1040 CB PHE A 68 13.891 -5.889 -4.304 1.00 0.00 C ATOM 1041 CG PHE A 68 12.920 -6.330 -3.237 1.00 0.00 C ATOM 1042 CD1 PHE A 68 13.135 -7.544 -2.560 1.00 0.00 C ATOM 1043 CD2 PHE A 68 11.738 -5.607 -3.010 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.206 -8.007 -1.616 1.00 0.00 C ATOM 1045 CE2 PHE A 68 10.822 -6.066 -2.052 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.056 -7.254 -1.342 1.00 0.00 C ATOM 0 H PHE A 68 16.105 -6.348 -2.195 1.00 0.00 H new ATOM 0 HA PHE A 68 15.828 -5.194 -4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.429 -5.067 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.005 -6.714 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.022 -8.124 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.536 -4.705 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.377 -8.941 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.924 -5.498 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.355 -7.585 -0.590 1.00 0.00 H new ATOM 1056 N ASP A 69 15.198 -3.035 -3.671 1.00 0.00 N ATOM 1057 CA ASP A 69 15.040 -1.717 -3.069 1.00 0.00 C ATOM 1058 C ASP A 69 13.541 -1.452 -2.966 1.00 0.00 C ATOM 1059 O ASP A 69 12.802 -1.737 -3.916 1.00 0.00 O ATOM 1060 CB ASP A 69 15.704 -0.646 -3.946 1.00 0.00 C ATOM 1061 CG ASP A 69 17.185 -0.444 -3.699 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.545 0.041 -2.605 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.969 -0.737 -4.634 1.00 0.00 O ATOM 0 H ASP A 69 15.257 -2.992 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 69 15.513 -1.682 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.559 -0.914 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.192 0.303 -3.785 1.00 0.00 H new ATOM 1068 N VAL A 70 13.101 -0.917 -1.828 1.00 0.00 N ATOM 1069 CA VAL A 70 11.715 -0.562 -1.506 1.00 0.00 C ATOM 1070 C VAL A 70 11.704 0.845 -0.868 1.00 0.00 C ATOM 1071 O VAL A 70 12.728 1.264 -0.310 1.00 0.00 O ATOM 1072 CB VAL A 70 11.143 -1.619 -0.537 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.943 -2.952 -1.251 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.042 -1.885 0.677 1.00 0.00 C ATOM 0 H VAL A 70 13.738 -0.706 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 70 11.095 -0.545 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 70 10.197 -1.204 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.539 -3.683 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.247 -2.820 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.900 -3.307 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.579 -2.638 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.014 -2.245 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.173 -0.962 1.242 1.00 0.00 H new ATOM 1084 N PRO A 71 10.588 1.597 -0.908 1.00 0.00 N ATOM 1085 CA PRO A 71 10.513 2.912 -0.299 1.00 0.00 C ATOM 1086 C PRO A 71 10.566 2.760 1.215 1.00 0.00 C ATOM 1087 O PRO A 71 9.925 1.868 1.773 1.00 0.00 O ATOM 1088 CB PRO A 71 9.171 3.498 -0.750 1.00 0.00 C ATOM 1089 CG PRO A 71 8.310 2.275 -1.031 1.00 0.00 C ATOM 1090 CD PRO A 71 9.314 1.238 -1.502 1.00 0.00 C ATOM 0 HA PRO A 71 11.337 3.563 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.730 4.127 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.285 4.118 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.779 1.944 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.557 2.480 -1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.011 0.237 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.382 1.230 -2.590 1.00 0.00 H new ATOM 1098 N THR A 72 11.225 3.691 1.898 1.00 0.00 N ATOM 1099 CA THR A 72 11.180 3.829 3.352 1.00 0.00 C ATOM 1100 C THR A 72 9.720 3.838 3.851 1.00 0.00 C ATOM 1101 O THR A 72 9.373 3.208 4.857 1.00 0.00 O ATOM 1102 CB THR A 72 11.908 5.137 3.698 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.141 5.177 3.014 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.188 5.302 5.183 1.00 0.00 C ATOM 0 H THR A 72 11.819 4.387 1.447 1.00 0.00 H new ATOM 0 HA THR A 72 11.667 2.988 3.845 1.00 0.00 H new ATOM 0 HB THR A 72 11.245 5.947 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.839 5.506 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.704 6.247 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.247 5.298 5.733 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.814 4.480 5.529 1.00 0.00 H new ATOM 1112 N ALA A 73 8.831 4.469 3.073 1.00 0.00 N ATOM 1113 CA ALA A 73 7.401 4.544 3.328 1.00 0.00 C ATOM 1114 C ALA A 73 6.668 3.205 3.212 1.00 0.00 C ATOM 1115 O ALA A 73 5.471 3.175 3.500 1.00 0.00 O ATOM 1116 CB ALA A 73 6.790 5.595 2.399 1.00 0.00 C ATOM 0 H ALA A 73 9.106 4.956 2.220 1.00 0.00 H new ATOM 0 HA ALA A 73 7.273 4.835 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.717 5.661 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.251 6.564 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.966 5.310 1.362 1.00 0.00 H new ATOM 1122 N SER A 74 7.331 2.120 2.805 1.00 0.00 N ATOM 1123 CA SER A 74 6.819 0.762 2.926 1.00 0.00 C ATOM 1124 C SER A 74 7.755 -0.150 3.733 1.00 0.00 C ATOM 1125 O SER A 74 7.247 -1.106 4.305 1.00 0.00 O ATOM 1126 CB SER A 74 6.477 0.187 1.542 1.00 0.00 C ATOM 1127 OG SER A 74 5.566 -0.891 1.637 1.00 0.00 O ATOM 0 H SER A 74 8.255 2.166 2.375 1.00 0.00 H new ATOM 0 HA SER A 74 5.893 0.806 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.050 0.971 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.390 -0.150 1.051 1.00 0.00 H new ATOM 0 HG SER A 74 5.820 -1.591 0.999 1.00 0.00 H new ATOM 1133 N VAL A 75 9.059 0.139 3.898 1.00 0.00 N ATOM 1134 CA VAL A 75 9.984 -0.660 4.733 1.00 0.00 C ATOM 1135 C VAL A 75 9.339 -0.971 6.088 1.00 0.00 C ATOM 1136 O VAL A 75 9.310 -2.118 6.542 1.00 0.00 O ATOM 1137 CB VAL A 75 11.339 0.077 4.907 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.233 -0.518 6.005 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.165 0.050 3.619 1.00 0.00 C ATOM 0 H VAL A 75 9.507 0.940 3.453 1.00 0.00 H new ATOM 0 HA VAL A 75 10.185 -1.606 4.230 1.00 0.00 H new ATOM 0 HB VAL A 75 11.052 1.092 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.161 0.050 6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.714 -0.470 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.459 -1.557 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.106 0.576 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.369 -0.984 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.608 0.539 2.819 1.00 0.00 H new ATOM 1149 N THR A 76 8.778 0.055 6.718 1.00 0.00 N ATOM 1150 CA THR A 76 8.238 -0.038 8.061 1.00 0.00 C ATOM 1151 C THR A 76 6.761 -0.460 8.080 1.00 0.00 C ATOM 1152 O THR A 76 6.194 -0.682 9.151 1.00 0.00 O ATOM 1153 CB THR A 76 8.583 1.292 8.753 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.979 1.522 8.613 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.296 1.339 10.247 1.00 0.00 C ATOM 0 H THR A 76 8.686 0.982 6.303 1.00 0.00 H new ATOM 0 HA THR A 76 8.690 -0.847 8.635 1.00 0.00 H new ATOM 0 HB THR A 76 7.951 2.038 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.216 2.368 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.573 2.317 10.640 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.234 1.167 10.419 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.875 0.567 10.753 1.00 0.00 H new ATOM 1163 N GLU A 77 6.148 -0.643 6.912 1.00 0.00 N ATOM 1164 CA GLU A 77 4.964 -1.467 6.759 1.00 0.00 C ATOM 1165 C GLU A 77 5.437 -2.928 6.753 1.00 0.00 C ATOM 1166 O GLU A 77 5.107 -3.684 7.660 1.00 0.00 O ATOM 1167 CB GLU A 77 4.205 -1.080 5.474 1.00 0.00 C ATOM 1168 CG GLU A 77 2.755 -0.635 5.712 1.00 0.00 C ATOM 1169 CD GLU A 77 2.571 0.862 6.018 1.00 0.00 C ATOM 1170 OE1 GLU A 77 3.456 1.489 6.639 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.493 1.406 5.659 1.00 0.00 O ATOM 0 H GLU A 77 6.467 -0.217 6.042 1.00 0.00 H new ATOM 0 HA GLU A 77 4.258 -1.319 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.744 -0.274 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.205 -1.932 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.166 -0.884 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.346 -1.212 6.542 1.00 0.00 H new ATOM 1178 N ILE A 78 6.252 -3.312 5.764 1.00 0.00 N ATOM 1179 CA ILE A 78 6.679 -4.669 5.406 1.00 0.00 C ATOM 1180 C ILE A 78 7.155 -5.425 6.638 1.00 0.00 C ATOM 1181 O ILE A 78 6.651 -6.516 6.888 1.00 0.00 O ATOM 1182 CB ILE A 78 7.773 -4.606 4.304 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.235 -4.013 2.984 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.405 -5.971 3.964 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.341 -3.325 2.177 1.00 0.00 C ATOM 0 H ILE A 78 6.666 -2.620 5.139 1.00 0.00 H new ATOM 0 HA ILE A 78 5.829 -5.218 5.002 1.00 0.00 H new ATOM 0 HB ILE A 78 8.537 -3.962 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.788 -4.806 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.445 -3.295 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.158 -5.840 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.873 -6.388 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.631 -6.652 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.922 -2.921 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.771 -2.515 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.119 -4.049 1.935 1.00 0.00 H new ATOM 1197 N GLN A 79 8.092 -4.864 7.409 1.00 0.00 N ATOM 1198 CA GLN A 79 8.638 -5.580 8.554 1.00 0.00 C ATOM 1199 C GLN A 79 7.557 -5.872 9.610 1.00 0.00 C ATOM 1200 O GLN A 79 7.702 -6.820 10.370 1.00 0.00 O ATOM 1201 CB GLN A 79 9.825 -4.823 9.158 1.00 0.00 C ATOM 1202 CG GLN A 79 10.998 -4.609 8.185 1.00 0.00 C ATOM 1203 CD GLN A 79 11.869 -5.834 7.876 1.00 0.00 C ATOM 1204 OE1 GLN A 79 11.396 -6.964 7.820 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.154 -5.620 7.617 1.00 0.00 N ATOM 0 H GLN A 79 8.479 -3.932 7.261 1.00 0.00 H new ATOM 0 HA GLN A 79 9.004 -6.543 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.480 -3.852 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.185 -5.370 10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.596 -4.232 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.641 -3.829 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.534 -4.675 7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.761 -6.401 7.368 1.00 0.00 H new ATOM 1214 N GLU A 80 6.472 -5.093 9.688 1.00 0.00 N ATOM 1215 CA GLU A 80 5.325 -5.409 10.539 1.00 0.00 C ATOM 1216 C GLU A 80 4.445 -6.513 9.917 1.00 0.00 C ATOM 1217 O GLU A 80 4.014 -7.448 10.599 1.00 0.00 O ATOM 1218 CB GLU A 80 4.534 -4.107 10.776 1.00 0.00 C ATOM 1219 CG GLU A 80 4.361 -3.752 12.259 1.00 0.00 C ATOM 1220 CD GLU A 80 2.910 -3.881 12.726 1.00 0.00 C ATOM 1221 OE1 GLU A 80 2.295 -4.955 12.507 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.371 -2.898 13.286 1.00 0.00 O ATOM 0 H GLU A 80 6.367 -4.226 9.162 1.00 0.00 H new ATOM 0 HA GLU A 80 5.669 -5.805 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.044 -3.286 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.550 -4.201 10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.993 -4.404 12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.704 -2.731 12.428 1.00 0.00 H new ATOM 1229 N LYS A 81 4.167 -6.427 8.613 1.00 0.00 N ATOM 1230 CA LYS A 81 3.231 -7.308 7.890 1.00 0.00 C ATOM 1231 C LYS A 81 3.850 -8.604 7.360 1.00 0.00 C ATOM 1232 O LYS A 81 3.267 -9.271 6.501 1.00 0.00 O ATOM 1233 CB LYS A 81 2.482 -6.506 6.828 1.00 0.00 C ATOM 1234 CG LYS A 81 3.336 -5.685 5.885 1.00 0.00 C ATOM 1235 CD LYS A 81 2.825 -5.482 4.459 1.00 0.00 C ATOM 1236 CE LYS A 81 1.514 -4.715 4.338 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.336 -5.600 4.394 1.00 0.00 N ATOM 0 H LYS A 81 4.596 -5.725 8.010 1.00 0.00 H new ATOM 0 HA LYS A 81 2.507 -7.673 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.884 -7.198 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.786 -5.835 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.480 -4.702 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.318 -6.155 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.589 -4.954 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.699 -6.460 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.451 -3.980 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.505 -4.162 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.530 -5.033 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.388 -6.296 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.318 -6.096 5.308 1.00 0.00 H new ATOM 1251 N TRP A 82 5.018 -8.943 7.875 1.00 0.00 N ATOM 1252 CA TRP A 82 5.767 -10.167 7.609 1.00 0.00 C ATOM 1253 C TRP A 82 6.403 -10.692 8.907 1.00 0.00 C ATOM 1254 O TRP A 82 6.597 -9.947 9.860 1.00 0.00 O ATOM 1255 CB TRP A 82 6.810 -9.854 6.520 1.00 0.00 C ATOM 1256 CG TRP A 82 7.826 -10.908 6.219 1.00 0.00 C ATOM 1257 CD1 TRP A 82 8.937 -11.118 6.953 1.00 0.00 C ATOM 1258 CD2 TRP A 82 7.884 -11.873 5.125 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.616 -12.205 6.460 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.008 -12.719 5.339 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.128 -12.103 3.957 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.360 -13.745 4.455 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.473 -13.129 3.051 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.587 -13.954 3.299 1.00 0.00 C ATOM 0 H TRP A 82 5.504 -8.334 8.533 1.00 0.00 H new ATOM 0 HA TRP A 82 5.113 -10.960 7.248 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.276 -9.627 5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.341 -8.948 6.812 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.246 -10.522 7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.467 -12.585 6.875 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.268 -11.482 3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.217 -14.370 4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.879 -13.282 2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.846 -14.741 2.607 1.00 0.00 H new ATOM 1275 N HIS A 83 6.799 -11.971 8.935 1.00 0.00 N ATOM 1276 CA HIS A 83 7.642 -12.586 9.954 1.00 0.00 C ATOM 1277 C HIS A 83 8.742 -13.408 9.273 1.00 0.00 C ATOM 1278 O HIS A 83 8.445 -14.254 8.432 1.00 0.00 O ATOM 1279 CB HIS A 83 6.793 -13.513 10.829 1.00 0.00 C ATOM 1280 CG HIS A 83 5.865 -12.837 11.808 1.00 0.00 C ATOM 1281 ND1 HIS A 83 5.830 -11.512 12.174 1.00 0.00 N ATOM 1282 CD2 HIS A 83 4.940 -13.492 12.567 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.921 -11.373 13.149 1.00 0.00 C ATOM 1284 NE2 HIS A 83 4.332 -12.555 13.421 1.00 0.00 N ATOM 0 H HIS A 83 6.524 -12.633 8.209 1.00 0.00 H new ATOM 0 HA HIS A 83 8.090 -11.808 10.572 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.197 -14.150 10.176 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.463 -14.167 11.387 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.397 -10.765 11.773 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.714 -14.547 12.520 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.692 -10.443 13.648 1.00 0.00 H new ATOM 1292 N ASP A 84 10.006 -13.196 9.626 1.00 0.00 N ATOM 1293 CA ASP A 84 11.158 -14.023 9.255 1.00 0.00 C ATOM 1294 C ASP A 84 11.067 -15.404 9.899 1.00 0.00 C ATOM 1295 O ASP A 84 11.324 -15.587 11.091 1.00 0.00 O ATOM 1296 CB ASP A 84 12.474 -13.341 9.640 1.00 0.00 C ATOM 1297 CG ASP A 84 12.623 -13.026 11.138 1.00 0.00 C ATOM 1298 OD1 ASP A 84 11.649 -12.566 11.777 1.00 0.00 O ATOM 1299 OD2 ASP A 84 13.730 -13.224 11.689 1.00 0.00 O ATOM 0 H ASP A 84 10.272 -12.402 10.209 1.00 0.00 H new ATOM 0 HA ASP A 84 11.142 -14.146 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.302 -13.981 9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.564 -12.412 9.077 1.00 0.00 H new ATOM 1304 N SER A 85 10.642 -16.378 9.107 1.00 0.00 N ATOM 1305 CA SER A 85 10.216 -17.690 9.574 1.00 0.00 C ATOM 1306 C SER A 85 10.250 -18.731 8.454 1.00 0.00 C ATOM 1307 O SER A 85 10.348 -18.383 7.276 1.00 0.00 O ATOM 1308 CB SER A 85 8.778 -17.561 10.111 1.00 0.00 C ATOM 1309 OG SER A 85 8.772 -17.495 11.523 1.00 0.00 O ATOM 0 H SER A 85 10.582 -16.275 8.094 1.00 0.00 H new ATOM 0 HA SER A 85 10.900 -18.026 10.353 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.310 -16.667 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.184 -18.413 9.780 1.00 0.00 H new ATOM 0 HG SER A 85 9.518 -16.938 11.828 1.00 0.00 H new ATOM 1315 N ARG A 86 10.071 -20.004 8.848 1.00 0.00 N ATOM 1316 CA ARG A 86 9.981 -21.228 8.037 1.00 0.00 C ATOM 1317 C ARG A 86 11.197 -21.481 7.150 1.00 0.00 C ATOM 1318 O ARG A 86 11.844 -22.527 7.275 1.00 0.00 O ATOM 1319 CB ARG A 86 8.670 -21.242 7.224 1.00 0.00 C ATOM 1320 CG ARG A 86 7.450 -21.702 8.043 1.00 0.00 C ATOM 1321 CD ARG A 86 6.190 -20.921 7.659 1.00 0.00 C ATOM 1322 NE ARG A 86 4.966 -21.571 8.153 1.00 0.00 N ATOM 1323 CZ ARG A 86 3.770 -20.995 8.330 1.00 0.00 C ATOM 1324 NH1 ARG A 86 3.572 -19.716 8.036 1.00 0.00 N ATOM 1325 NH2 ARG A 86 2.769 -21.721 8.810 1.00 0.00 N ATOM 0 H ARG A 86 9.977 -20.221 9.840 1.00 0.00 H new ATOM 0 HA ARG A 86 9.971 -22.060 8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.481 -20.241 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.791 -21.901 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.283 -22.767 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.652 -21.569 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.252 -19.911 8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.138 -20.827 6.574 1.00 0.00 H new ATOM 0 HE ARG A 86 5.035 -22.562 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.339 -19.153 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.653 -19.296 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.916 -22.704 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.852 -21.296 8.950 1.00 0.00 H new ATOM 1339 N ARG A 87 11.470 -20.592 6.204 1.00 0.00 N ATOM 1340 CA ARG A 87 12.427 -20.779 5.125 1.00 0.00 C ATOM 1341 C ARG A 87 12.974 -19.446 4.611 1.00 0.00 C ATOM 1342 O ARG A 87 13.786 -19.475 3.689 1.00 0.00 O ATOM 1343 CB ARG A 87 11.692 -21.529 3.998 1.00 0.00 C ATOM 1344 CG ARG A 87 12.642 -22.326 3.105 1.00 0.00 C ATOM 1345 CD ARG A 87 11.908 -22.990 1.946 1.00 0.00 C ATOM 1346 NE ARG A 87 11.424 -22.014 0.967 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.239 -22.045 0.355 1.00 0.00 C ATOM 1348 NH1 ARG A 87 9.309 -22.940 0.657 1.00 0.00 N ATOM 1349 NH2 ARG A 87 10.000 -21.142 -0.584 1.00 0.00 N ATOM 0 H ARG A 87 11.010 -19.682 6.168 1.00 0.00 H new ATOM 0 HA ARG A 87 13.286 -21.346 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.958 -22.205 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.142 -20.812 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.414 -21.664 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.146 -23.088 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.575 -23.697 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.065 -23.563 2.332 1.00 0.00 H new ATOM 0 HE ARG A 87 12.048 -21.242 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.488 -23.637 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.415 -22.932 0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.712 -20.451 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.104 -21.138 -1.071 1.00 0.00 H new ATOM 1363 N TRP A 88 12.504 -18.303 5.126 1.00 0.00 N ATOM 1364 CA TRP A 88 12.805 -17.006 4.544 1.00 0.00 C ATOM 1365 C TRP A 88 13.050 -15.985 5.633 1.00 0.00 C ATOM 1366 O TRP A 88 12.297 -15.880 6.605 1.00 0.00 O ATOM 1367 CB TRP A 88 11.633 -16.523 3.690 1.00 0.00 C ATOM 1368 CG TRP A 88 11.397 -17.284 2.436 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.605 -18.367 2.325 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.890 -16.997 1.096 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.572 -18.771 1.011 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.309 -17.937 0.194 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.731 -16.008 0.546 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.534 -17.881 -1.194 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.988 -15.960 -0.836 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.393 -16.891 -1.706 1.00 0.00 C ATOM 0 H TRP A 88 11.909 -18.260 5.953 1.00 0.00 H new ATOM 0 HA TRP A 88 13.697 -17.114 3.927 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.726 -16.562 4.294 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.800 -15.477 3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.079 -18.843 3.139 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.063 -19.590 0.679 1.00 0.00 H new ATOM 0 HE3 TRP A 88 13.185 -15.275 1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.055 -18.587 -1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.648 -15.202 -1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.595 -16.846 -2.766 1.00 0.00 H new ATOM 1387 N GLN A 89 14.069 -15.171 5.400 1.00 0.00 N ATOM 1388 CA GLN A 89 14.507 -14.106 6.274 1.00 0.00 C ATOM 1389 C GLN A 89 14.401 -12.817 5.474 1.00 0.00 C ATOM 1390 O GLN A 89 14.943 -12.742 4.372 1.00 0.00 O ATOM 1391 CB GLN A 89 15.946 -14.405 6.715 1.00 0.00 C ATOM 1392 CG GLN A 89 16.017 -15.344 7.926 1.00 0.00 C ATOM 1393 CD GLN A 89 15.430 -16.743 7.713 1.00 0.00 C ATOM 1394 OE1 GLN A 89 15.766 -17.450 6.767 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.534 -17.169 8.589 1.00 0.00 N ATOM 0 H GLN A 89 14.636 -15.243 4.555 1.00 0.00 H new ATOM 0 HA GLN A 89 13.902 -14.016 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.490 -14.852 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.448 -13.469 6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.061 -15.449 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.495 -14.873 8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.262 -16.573 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.115 -18.093 8.482 1.00 0.00 H new ATOM 1404 N LEU A 90 13.712 -11.810 6.007 1.00 0.00 N ATOM 1405 CA LEU A 90 13.718 -10.457 5.456 1.00 0.00 C ATOM 1406 C LEU A 90 14.698 -9.642 6.289 1.00 0.00 C ATOM 1407 O LEU A 90 14.353 -9.061 7.317 1.00 0.00 O ATOM 1408 CB LEU A 90 12.296 -9.860 5.411 1.00 0.00 C ATOM 1409 CG LEU A 90 11.759 -9.815 3.970 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.628 -11.232 3.395 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.400 -9.111 3.903 1.00 0.00 C ATOM 0 H LEU A 90 13.130 -11.911 6.839 1.00 0.00 H new ATOM 0 HA LEU A 90 14.046 -10.452 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.628 -10.456 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.307 -8.854 5.830 1.00 0.00 H new ATOM 0 HG LEU A 90 12.475 -9.249 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.247 -11.177 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.605 -11.715 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.939 -11.812 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.048 -9.096 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.682 -9.647 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.502 -8.088 4.266 1.00 0.00 H new ATOM 1423 N SER A 91 15.951 -9.636 5.851 1.00 0.00 N ATOM 1424 CA SER A 91 17.003 -8.804 6.424 1.00 0.00 C ATOM 1425 C SER A 91 17.063 -7.518 5.604 1.00 0.00 C ATOM 1426 O SER A 91 16.518 -7.468 4.503 1.00 0.00 O ATOM 1427 CB SER A 91 18.317 -9.593 6.441 1.00 0.00 C ATOM 1428 OG SER A 91 18.122 -10.767 7.216 1.00 0.00 O ATOM 0 H SER A 91 16.270 -10.218 5.076 1.00 0.00 H new ATOM 0 HA SER A 91 16.805 -8.530 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.617 -9.854 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 91 19.118 -8.987 6.864 1.00 0.00 H new ATOM 0 HG SER A 91 18.953 -11.287 7.237 1.00 0.00 H new ATOM 1434 N VAL A 92 17.699 -6.476 6.122 1.00 0.00 N ATOM 1435 CA VAL A 92 17.777 -5.178 5.467 1.00 0.00 C ATOM 1436 C VAL A 92 19.249 -4.911 5.144 1.00 0.00 C ATOM 1437 O VAL A 92 20.139 -5.554 5.721 1.00 0.00 O ATOM 1438 CB VAL A 92 17.075 -4.134 6.359 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.855 -3.825 7.639 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.755 -2.842 5.602 1.00 0.00 C ATOM 0 H VAL A 92 18.181 -6.509 7.020 1.00 0.00 H new ATOM 0 HA VAL A 92 17.249 -5.131 4.515 1.00 0.00 H new ATOM 0 HB VAL A 92 16.132 -4.594 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 92 17.312 -3.084 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.971 -4.738 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.839 -3.433 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 92 16.262 -2.139 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.679 -2.400 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.096 -3.066 4.763 1.00 0.00 H new ATOM 1450 N ALA A 93 19.511 -3.996 4.211 1.00 0.00 N ATOM 1451 CA ALA A 93 20.867 -3.555 3.937 1.00 0.00 C ATOM 1452 C ALA A 93 21.484 -2.917 5.184 1.00 0.00 C ATOM 1453 O ALA A 93 20.793 -2.339 6.034 1.00 0.00 O ATOM 1454 CB ALA A 93 20.862 -2.565 2.770 1.00 0.00 C ATOM 0 H ALA A 93 18.798 -3.549 3.635 1.00 0.00 H new ATOM 0 HA ALA A 93 21.474 -4.418 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.881 -2.236 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.454 -3.050 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.247 -1.703 3.027 1.00 0.00 H new ATOM 1460 N THR A 94 22.802 -3.007 5.268 1.00 0.00 N ATOM 1461 CA THR A 94 23.631 -2.221 6.167 1.00 0.00 C ATOM 1462 C THR A 94 23.951 -0.862 5.528 1.00 0.00 C ATOM 1463 O THR A 94 24.066 0.118 6.269 1.00 0.00 O ATOM 1464 CB THR A 94 24.914 -3.012 6.515 1.00 0.00 C ATOM 1465 OG1 THR A 94 24.819 -4.411 6.239 1.00 0.00 O ATOM 1466 CG2 THR A 94 25.203 -2.875 8.010 1.00 0.00 C ATOM 0 H THR A 94 23.342 -3.652 4.692 1.00 0.00 H new ATOM 0 HA THR A 94 23.094 -2.029 7.096 1.00 0.00 H new ATOM 0 HB THR A 94 25.702 -2.591 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 94 25.662 -4.850 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.107 -3.431 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 94 25.345 -1.823 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.364 -3.273 8.581 1.00 0.00 H new ATOM 1474 N GLU A 95 23.976 -0.831 4.186 1.00 0.00 N ATOM 1475 CA GLU A 95 24.365 0.248 3.297 1.00 0.00 C ATOM 1476 C GLU A 95 25.791 0.665 3.571 1.00 0.00 C ATOM 1477 O GLU A 95 26.064 1.512 4.444 1.00 0.00 O ATOM 1478 CB GLU A 95 23.340 1.383 3.286 1.00 0.00 C ATOM 1479 CG GLU A 95 23.642 2.413 2.186 1.00 0.00 C ATOM 1480 CD GLU A 95 23.510 1.861 0.759 1.00 0.00 C ATOM 1481 OE1 GLU A 95 22.750 0.891 0.522 1.00 0.00 O ATOM 1482 OE2 GLU A 95 24.122 2.446 -0.168 1.00 0.00 O ATOM 0 H GLU A 95 23.692 -1.653 3.653 1.00 0.00 H new ATOM 0 HA GLU A 95 24.358 -0.111 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.342 0.971 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 95 23.336 1.878 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.966 3.260 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 95 24.654 2.792 2.326 1.00 0.00 H new TER 1489 GLU A 95