USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1279 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 NoAdj-H: B 569 HIS HD1 : B 569 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD NoAdj-H: B 572 HIS HD1 : B 572 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD Set 1.1: B 562 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 THR OG1 : rot 110:sc= -1.27! USER MOD Set 2.2: A 93 THR OG1 : rot 157:sc= 0.413 USER MOD Set 3.1: A 75 THR OG1 : rot 150:sc= -0.256 USER MOD Set 3.2: B 602 LYS NZ :NH3+ -134:sc= -0.906 (180deg=-3.79!) USER MOD Set 4.1: A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-5.55e-05) USER MOD Set 4.2: A 61 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 46:sc= 0.152 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-4!) USER MOD Single : A 28 ASN : amide:sc= -2.74! K(o=-2.7!,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 40 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-0.81) USER MOD Single : A 45 MET CE :methyl -155:sc= -1.16 (180deg=-2.81!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0397) USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= -0.618 (180deg=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -2.62 (180deg=-3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 74 LYS NZ :NH3+ 139:sc= -0.613 (180deg=-3.12!) USER MOD Single : A 76 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.56) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00962) USER MOD Single : A 82 TYR OH : rot 130:sc= -0.468 USER MOD Single : A 85 GLN : amide:sc= -2.41! K(o=-2.4!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0153 (180deg=-0.344) USER MOD Single : A 91 GLN : amide:sc= -10.9! C(o=-11!,f=-19!) USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 547 SER OG : rot 28:sc= 0.694 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.65! K(o=-3.6!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0913) USER MOD Single : B 557 THR OG1 : rot 41:sc= 0.933 USER MOD Single : B 560 CYS SG : rot 33:sc= 0.395 USER MOD Single : B 564 MET CE :methyl 146:sc= -0.306 (180deg=-1.52!) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.423) USER MOD Single : B 581 GLN : amide:sc= -4.22! C(o=-4.2!,f=-2.1!) USER MOD Single : B 583 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4.3!) USER MOD Single : B 584 LYS NZ :NH3+ -116:sc= -6.61! (180deg=-7.64!) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.413 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.5!) USER MOD Single : B 591 ASN : amide:sc= -11.8! C(o=-12!,f=-6.2!) USER MOD Single : B 593 LYS NZ :NH3+ -178:sc= 0.444 (180deg=0.342) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.44! K(o=-4.4!,f=-0.035) USER MOD Single : B 598 ASN : amide:sc= -0.685 X(o=-0.69,f=-0.57) USER MOD Single : B 605 CYS SG : rot 134:sc= -1.1! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 91.109 -22.950 18.711 1.00 0.00 N ATOM 2 CA MET A 1 90.482 -23.092 17.367 1.00 0.00 C ATOM 3 C MET A 1 90.497 -24.567 16.952 1.00 0.00 C ATOM 4 O MET A 1 90.075 -25.435 17.690 1.00 0.00 O ATOM 5 CB MET A 1 91.272 -22.259 16.347 1.00 0.00 C ATOM 6 CG MET A 1 90.419 -22.015 15.099 1.00 0.00 C ATOM 7 SD MET A 1 91.493 -21.540 13.722 1.00 0.00 S ATOM 8 CE MET A 1 90.323 -20.445 12.882 1.00 0.00 C ATOM 0 H1 MET A 1 91.100 -21.949 18.994 1.00 0.00 H new ATOM 0 H2 MET A 1 90.575 -23.511 19.404 1.00 0.00 H new ATOM 0 H3 MET A 1 92.091 -23.290 18.674 1.00 0.00 H new ATOM 0 HA MET A 1 89.452 -22.738 17.403 1.00 0.00 H new ATOM 0 HB2 MET A 1 91.564 -21.307 16.790 1.00 0.00 H new ATOM 0 HB3 MET A 1 92.191 -22.778 16.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 89.860 -22.916 14.845 1.00 0.00 H new ATOM 0 HG3 MET A 1 89.688 -21.230 15.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 90.789 -20.033 11.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 89.433 -21.009 12.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 90.041 -19.632 13.551 1.00 0.00 H new ATOM 18 N ALA A 2 90.983 -24.852 15.776 1.00 0.00 N ATOM 19 CA ALA A 2 91.037 -26.262 15.300 1.00 0.00 C ATOM 20 C ALA A 2 92.166 -26.383 14.287 1.00 0.00 C ATOM 21 O ALA A 2 93.039 -27.220 14.397 1.00 0.00 O ATOM 22 CB ALA A 2 89.718 -26.620 14.620 1.00 0.00 C ATOM 0 H ALA A 2 91.348 -24.162 15.119 1.00 0.00 H new ATOM 0 HA ALA A 2 91.205 -26.934 16.141 1.00 0.00 H new ATOM 0 HB1 ALA A 2 89.757 -27.652 14.271 1.00 0.00 H new ATOM 0 HB2 ALA A 2 88.900 -26.508 15.331 1.00 0.00 H new ATOM 0 HB3 ALA A 2 89.554 -25.956 13.771 1.00 0.00 H new ATOM 28 N LEU A 3 92.153 -25.532 13.304 1.00 0.00 N ATOM 29 CA LEU A 3 93.217 -25.553 12.269 1.00 0.00 C ATOM 30 C LEU A 3 94.574 -25.610 12.949 1.00 0.00 C ATOM 31 O LEU A 3 95.187 -26.650 13.085 1.00 0.00 O ATOM 32 CB LEU A 3 93.143 -24.255 11.469 1.00 0.00 C ATOM 33 CG LEU A 3 91.924 -24.286 10.543 1.00 0.00 C ATOM 34 CD1 LEU A 3 91.715 -22.894 9.939 1.00 0.00 C ATOM 35 CD2 LEU A 3 92.129 -25.323 9.421 1.00 0.00 C ATOM 0 H LEU A 3 91.441 -24.814 13.172 1.00 0.00 H new ATOM 0 HA LEU A 3 93.083 -26.418 11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 3 93.076 -23.403 12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 3 94.053 -24.126 10.883 1.00 0.00 H new ATOM 0 HG LEU A 3 91.043 -24.571 11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 3 90.848 -22.910 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 3 91.549 -22.172 10.738 1.00 0.00 H new ATOM 0 HD13 LEU A 3 92.599 -22.608 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 3 91.254 -25.333 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 3 93.011 -25.059 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 3 92.267 -26.311 9.860 1.00 0.00 H new ATOM 47 N ASP A 4 95.032 -24.477 13.373 1.00 0.00 N ATOM 48 CA ASP A 4 96.345 -24.400 14.052 1.00 0.00 C ATOM 49 C ASP A 4 97.394 -25.117 13.205 1.00 0.00 C ATOM 50 O ASP A 4 98.460 -25.468 13.670 1.00 0.00 O ATOM 51 CB ASP A 4 96.230 -25.066 15.418 1.00 0.00 C ATOM 52 CG ASP A 4 97.602 -25.123 16.094 1.00 0.00 C ATOM 53 OD1 ASP A 4 98.095 -24.075 16.478 1.00 0.00 O ATOM 54 OD2 ASP A 4 98.135 -26.213 16.217 1.00 0.00 O ATOM 0 H ASP A 4 94.546 -23.586 13.277 1.00 0.00 H new ATOM 0 HA ASP A 4 96.644 -23.360 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 4 95.531 -24.511 16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 4 95.829 -26.073 15.307 1.00 0.00 H new ATOM 59 N GLY A 5 97.104 -25.315 11.955 1.00 0.00 N ATOM 60 CA GLY A 5 98.085 -25.984 11.064 1.00 0.00 C ATOM 61 C GLY A 5 99.331 -25.125 11.040 1.00 0.00 C ATOM 62 O GLY A 5 100.402 -25.540 10.643 1.00 0.00 O ATOM 0 H GLY A 5 96.228 -25.042 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 5 98.315 -26.985 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 5 97.677 -26.097 10.060 1.00 0.00 H new ATOM 66 N ILE A 6 99.168 -23.910 11.467 1.00 0.00 N ATOM 67 CA ILE A 6 100.292 -22.935 11.498 1.00 0.00 C ATOM 68 C ILE A 6 100.714 -22.733 12.959 1.00 0.00 C ATOM 69 O ILE A 6 101.514 -23.477 13.492 1.00 0.00 O ATOM 70 CB ILE A 6 99.814 -21.594 10.874 1.00 0.00 C ATOM 71 CG1 ILE A 6 98.275 -21.564 10.788 1.00 0.00 C ATOM 72 CG2 ILE A 6 100.400 -21.415 9.475 1.00 0.00 C ATOM 73 CD1 ILE A 6 97.747 -22.489 9.673 1.00 0.00 C ATOM 0 H ILE A 6 98.280 -23.540 11.805 1.00 0.00 H new ATOM 0 HA ILE A 6 101.144 -23.302 10.925 1.00 0.00 H new ATOM 0 HB ILE A 6 100.158 -20.781 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 6 97.851 -21.869 11.745 1.00 0.00 H new ATOM 0 HG13 ILE A 6 97.941 -20.543 10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 6 100.054 -20.471 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 6 101.488 -21.409 9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 6 100.076 -22.237 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 6 96.658 -22.440 9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 6 98.150 -22.168 8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 6 98.059 -23.514 9.873 1.00 0.00 H new ATOM 85 N ARG A 7 100.186 -21.731 13.609 1.00 0.00 N ATOM 86 CA ARG A 7 100.558 -21.483 15.022 1.00 0.00 C ATOM 87 C ARG A 7 99.439 -20.726 15.733 1.00 0.00 C ATOM 88 O ARG A 7 98.445 -21.303 16.128 1.00 0.00 O ATOM 89 CB ARG A 7 101.843 -20.659 15.070 1.00 0.00 C ATOM 90 CG ARG A 7 101.756 -19.442 14.114 1.00 0.00 C ATOM 91 CD ARG A 7 102.518 -19.724 12.815 1.00 0.00 C ATOM 92 NE ARG A 7 102.053 -18.788 11.754 1.00 0.00 N ATOM 93 CZ ARG A 7 102.653 -18.766 10.595 1.00 0.00 C ATOM 94 NH1 ARG A 7 102.243 -17.948 9.665 1.00 0.00 N ATOM 95 NH2 ARG A 7 103.662 -19.561 10.367 1.00 0.00 N ATOM 0 H ARG A 7 99.511 -21.074 13.217 1.00 0.00 H new ATOM 0 HA ARG A 7 100.715 -22.438 15.524 1.00 0.00 H new ATOM 0 HB2 ARG A 7 102.021 -20.314 16.089 1.00 0.00 H new ATOM 0 HB3 ARG A 7 102.691 -21.285 14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 7 100.712 -19.222 13.890 1.00 0.00 H new ATOM 0 HG3 ARG A 7 102.170 -18.559 14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 7 103.589 -19.605 12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 7 102.355 -20.755 12.502 1.00 0.00 H new ATOM 0 HE ARG A 7 101.266 -18.164 11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 7 101.454 -17.326 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 7 102.711 -17.930 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 7 103.982 -20.200 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 7 104.131 -19.543 9.461 1.00 0.00 H new ATOM 109 N MET A 8 99.597 -19.439 15.933 1.00 0.00 N ATOM 110 CA MET A 8 98.538 -18.670 16.658 1.00 0.00 C ATOM 111 C MET A 8 98.471 -17.196 16.173 1.00 0.00 C ATOM 112 O MET A 8 97.456 -16.796 15.640 1.00 0.00 O ATOM 113 CB MET A 8 98.782 -18.774 18.189 1.00 0.00 C ATOM 114 CG MET A 8 100.103 -19.525 18.469 1.00 0.00 C ATOM 115 SD MET A 8 100.548 -19.330 20.217 1.00 0.00 S ATOM 116 CE MET A 8 100.620 -21.085 20.662 1.00 0.00 C ATOM 0 H MET A 8 100.404 -18.894 15.629 1.00 0.00 H new ATOM 0 HA MET A 8 97.564 -19.106 16.435 1.00 0.00 H new ATOM 0 HB2 MET A 8 98.822 -17.777 18.627 1.00 0.00 H new ATOM 0 HB3 MET A 8 97.951 -19.296 18.662 1.00 0.00 H new ATOM 0 HG2 MET A 8 99.992 -20.582 18.226 1.00 0.00 H new ATOM 0 HG3 MET A 8 100.898 -19.134 17.834 1.00 0.00 H new ATOM 0 HE1 MET A 8 100.883 -21.183 21.715 1.00 0.00 H new ATOM 0 HE2 MET A 8 99.647 -21.545 20.487 1.00 0.00 H new ATOM 0 HE3 MET A 8 101.373 -21.584 20.052 1.00 0.00 H new ATOM 126 N PRO A 9 99.505 -16.378 16.325 1.00 0.00 N ATOM 127 CA PRO A 9 99.450 -14.963 15.850 1.00 0.00 C ATOM 128 C PRO A 9 98.803 -14.883 14.479 1.00 0.00 C ATOM 129 O PRO A 9 98.067 -13.970 14.160 1.00 0.00 O ATOM 130 CB PRO A 9 100.921 -14.568 15.771 1.00 0.00 C ATOM 131 CG PRO A 9 101.546 -15.323 16.883 1.00 0.00 C ATOM 132 CD PRO A 9 100.814 -16.668 16.936 1.00 0.00 C ATOM 0 HA PRO A 9 98.863 -14.314 16.500 1.00 0.00 H new ATOM 0 HB2 PRO A 9 101.357 -14.837 14.809 1.00 0.00 H new ATOM 0 HB3 PRO A 9 101.054 -13.493 15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 9 102.613 -15.465 16.709 1.00 0.00 H new ATOM 0 HG3 PRO A 9 101.446 -14.785 17.826 1.00 0.00 H new ATOM 0 HD2 PRO A 9 101.352 -17.439 16.384 1.00 0.00 H new ATOM 0 HD3 PRO A 9 100.707 -17.026 17.960 1.00 0.00 H new ATOM 140 N ASP A 10 99.082 -15.867 13.681 1.00 0.00 N ATOM 141 CA ASP A 10 98.509 -15.939 12.301 1.00 0.00 C ATOM 142 C ASP A 10 97.601 -17.159 12.224 1.00 0.00 C ATOM 143 O ASP A 10 96.680 -17.221 11.434 1.00 0.00 O ATOM 144 CB ASP A 10 99.648 -16.071 11.282 1.00 0.00 C ATOM 145 CG ASP A 10 99.137 -15.703 9.886 1.00 0.00 C ATOM 146 OD1 ASP A 10 98.598 -14.618 9.741 1.00 0.00 O ATOM 147 OD2 ASP A 10 99.295 -16.512 8.986 1.00 0.00 O ATOM 0 H ASP A 10 99.695 -16.644 13.926 1.00 0.00 H new ATOM 0 HA ASP A 10 97.940 -15.037 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 10 100.475 -15.419 11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 10 100.032 -17.091 11.282 1.00 0.00 H new ATOM 152 N GLY A 11 97.856 -18.129 13.055 1.00 0.00 N ATOM 153 CA GLY A 11 97.017 -19.361 13.064 1.00 0.00 C ATOM 154 C GLY A 11 95.870 -19.182 14.051 1.00 0.00 C ATOM 155 O GLY A 11 95.172 -20.117 14.390 1.00 0.00 O ATOM 0 H GLY A 11 98.616 -18.122 13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 11 96.626 -19.556 12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 11 97.621 -20.224 13.343 1.00 0.00 H new ATOM 159 N CYS A 12 95.678 -17.985 14.517 1.00 0.00 N ATOM 160 CA CYS A 12 94.581 -17.731 15.491 1.00 0.00 C ATOM 161 C CYS A 12 94.315 -16.227 15.603 1.00 0.00 C ATOM 162 O CYS A 12 93.387 -15.710 15.017 1.00 0.00 O ATOM 163 CB CYS A 12 94.995 -18.270 16.858 1.00 0.00 C ATOM 164 SG CYS A 12 93.644 -18.031 18.038 1.00 0.00 S ATOM 0 H CYS A 12 96.234 -17.167 14.266 1.00 0.00 H new ATOM 0 HA CYS A 12 93.674 -18.229 15.149 1.00 0.00 H new ATOM 0 HB2 CYS A 12 95.243 -19.329 16.783 1.00 0.00 H new ATOM 0 HB3 CYS A 12 95.891 -17.757 17.207 1.00 0.00 H new ATOM 0 HG CYS A 12 93.997 -18.492 19.201 1.00 0.00 H new ATOM 170 N TYR A 13 95.113 -15.533 16.375 1.00 0.00 N ATOM 171 CA TYR A 13 94.915 -14.071 16.564 1.00 0.00 C ATOM 172 C TYR A 13 93.771 -13.879 17.553 1.00 0.00 C ATOM 173 O TYR A 13 93.831 -13.051 18.439 1.00 0.00 O ATOM 174 CB TYR A 13 94.583 -13.392 15.217 1.00 0.00 C ATOM 175 CG TYR A 13 95.085 -11.960 15.224 1.00 0.00 C ATOM 176 CD1 TYR A 13 96.092 -11.561 14.334 1.00 0.00 C ATOM 177 CD2 TYR A 13 94.541 -11.034 16.123 1.00 0.00 C ATOM 178 CE1 TYR A 13 96.553 -10.239 14.346 1.00 0.00 C ATOM 179 CE2 TYR A 13 95.003 -9.712 16.134 1.00 0.00 C ATOM 180 CZ TYR A 13 96.009 -9.315 15.245 1.00 0.00 C ATOM 181 OH TYR A 13 96.465 -8.012 15.255 1.00 0.00 O ATOM 0 H TYR A 13 95.902 -15.926 16.887 1.00 0.00 H new ATOM 0 HA TYR A 13 95.827 -13.614 16.948 1.00 0.00 H new ATOM 0 HB2 TYR A 13 95.044 -13.944 14.398 1.00 0.00 H new ATOM 0 HB3 TYR A 13 93.506 -13.409 15.047 1.00 0.00 H new ATOM 0 HD1 TYR A 13 96.512 -12.273 13.639 1.00 0.00 H new ATOM 0 HD2 TYR A 13 93.764 -11.340 16.808 1.00 0.00 H new ATOM 0 HE1 TYR A 13 97.329 -9.932 13.661 1.00 0.00 H new ATOM 0 HE2 TYR A 13 94.583 -8.999 16.828 1.00 0.00 H new ATOM 0 HH TYR A 13 95.982 -7.502 15.938 1.00 0.00 H new ATOM 191 N ALA A 14 92.732 -14.656 17.402 1.00 0.00 N ATOM 192 CA ALA A 14 91.563 -14.558 18.317 1.00 0.00 C ATOM 193 C ALA A 14 90.383 -15.271 17.666 1.00 0.00 C ATOM 194 O ALA A 14 89.772 -16.144 18.249 1.00 0.00 O ATOM 195 CB ALA A 14 91.228 -13.079 18.565 1.00 0.00 C ATOM 0 H ALA A 14 92.645 -15.364 16.673 1.00 0.00 H new ATOM 0 HA ALA A 14 91.788 -15.025 19.276 1.00 0.00 H new ATOM 0 HB1 ALA A 14 90.372 -13.007 19.235 1.00 0.00 H new ATOM 0 HB2 ALA A 14 92.086 -12.583 19.018 1.00 0.00 H new ATOM 0 HB3 ALA A 14 90.988 -12.596 17.617 1.00 0.00 H new ATOM 201 N ASP A 15 90.062 -14.909 16.461 1.00 0.00 N ATOM 202 CA ASP A 15 88.924 -15.574 15.777 1.00 0.00 C ATOM 203 C ASP A 15 88.967 -15.294 14.268 1.00 0.00 C ATOM 204 O ASP A 15 88.075 -15.672 13.536 1.00 0.00 O ATOM 205 CB ASP A 15 87.620 -15.033 16.355 1.00 0.00 C ATOM 206 CG ASP A 15 86.461 -15.951 15.962 1.00 0.00 C ATOM 207 OD1 ASP A 15 85.330 -15.607 16.264 1.00 0.00 O ATOM 208 OD2 ASP A 15 86.724 -16.983 15.366 1.00 0.00 O ATOM 0 H ASP A 15 90.535 -14.185 15.921 1.00 0.00 H new ATOM 0 HA ASP A 15 88.990 -16.651 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 15 87.692 -14.967 17.441 1.00 0.00 H new ATOM 0 HB3 ASP A 15 87.438 -14.024 15.986 1.00 0.00 H new ATOM 213 N GLY A 16 89.991 -14.626 13.802 1.00 0.00 N ATOM 214 CA GLY A 16 90.099 -14.302 12.345 1.00 0.00 C ATOM 215 C GLY A 16 89.764 -12.827 12.146 1.00 0.00 C ATOM 216 O GLY A 16 89.329 -12.412 11.089 1.00 0.00 O ATOM 0 H GLY A 16 90.765 -14.287 14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 16 91.106 -14.513 11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.417 -14.926 11.768 1.00 0.00 H new ATOM 220 N THR A 17 89.961 -12.030 13.162 1.00 0.00 N ATOM 221 CA THR A 17 89.655 -10.580 13.056 1.00 0.00 C ATOM 222 C THR A 17 90.893 -9.831 12.568 1.00 0.00 C ATOM 223 O THR A 17 91.940 -9.866 13.182 1.00 0.00 O ATOM 224 CB THR A 17 89.257 -10.046 14.439 1.00 0.00 C ATOM 225 OG1 THR A 17 90.079 -10.647 15.428 1.00 0.00 O ATOM 226 CG2 THR A 17 87.794 -10.377 14.725 1.00 0.00 C ATOM 0 H THR A 17 90.324 -12.327 14.068 1.00 0.00 H new ATOM 0 HA THR A 17 88.837 -10.431 12.351 1.00 0.00 H new ATOM 0 HB THR A 17 89.388 -8.964 14.458 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.014 -10.620 15.137 1.00 0.00 H new ATOM 0 HG21 THR A 17 87.520 -9.995 15.708 1.00 0.00 H new ATOM 0 HG22 THR A 17 87.162 -9.915 13.967 1.00 0.00 H new ATOM 0 HG23 THR A 17 87.655 -11.458 14.704 1.00 0.00 H new ATOM 234 N TRP A 18 90.758 -9.136 11.477 1.00 0.00 N ATOM 235 CA TRP A 18 91.889 -8.340 10.918 1.00 0.00 C ATOM 236 C TRP A 18 91.392 -6.909 10.720 1.00 0.00 C ATOM 237 O TRP A 18 90.432 -6.667 10.015 1.00 0.00 O ATOM 238 CB TRP A 18 92.348 -8.939 9.572 1.00 0.00 C ATOM 239 CG TRP A 18 91.276 -9.805 8.988 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.115 -9.360 8.456 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.253 -11.257 8.863 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.381 -10.446 8.014 1.00 0.00 N ATOM 243 CE2 TRP A 18 90.041 -11.637 8.243 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.159 -12.270 9.225 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.736 -12.976 7.991 1.00 0.00 C ATOM 246 CZ3 TRP A 18 91.857 -13.619 8.973 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.648 -13.970 8.356 1.00 0.00 C ATOM 0 H TRP A 18 89.895 -9.083 10.936 1.00 0.00 H new ATOM 0 HA TRP A 18 92.741 -8.356 11.598 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.595 -8.137 8.876 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.256 -9.524 9.719 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.811 -8.326 8.387 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.464 -10.376 7.573 1.00 0.00 H new ATOM 0 HE3 TRP A 18 93.093 -12.009 9.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.802 -13.242 7.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.559 -14.389 9.256 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.422 -15.008 8.163 1.00 0.00 H new ATOM 258 N GLU A 19 92.027 -5.959 11.342 1.00 0.00 N ATOM 259 CA GLU A 19 91.573 -4.549 11.190 1.00 0.00 C ATOM 260 C GLU A 19 92.006 -4.031 9.824 1.00 0.00 C ATOM 261 O GLU A 19 93.158 -4.117 9.448 1.00 0.00 O ATOM 262 CB GLU A 19 92.152 -3.653 12.317 1.00 0.00 C ATOM 263 CG GLU A 19 93.263 -4.388 13.057 1.00 0.00 C ATOM 264 CD GLU A 19 94.343 -4.826 12.065 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.925 -3.960 11.432 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.571 -6.020 11.956 1.00 0.00 O ATOM 0 H GLU A 19 92.837 -6.095 11.947 1.00 0.00 H new ATOM 0 HA GLU A 19 90.486 -4.516 11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.539 -2.727 11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.361 -3.377 13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.697 -3.740 13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.856 -5.257 13.573 1.00 0.00 H new ATOM 273 N LEU A 20 91.089 -3.477 9.082 1.00 0.00 N ATOM 274 CA LEU A 20 91.448 -2.937 7.748 1.00 0.00 C ATOM 275 C LEU A 20 92.007 -1.535 7.960 1.00 0.00 C ATOM 276 O LEU A 20 91.466 -0.753 8.710 1.00 0.00 O ATOM 277 CB LEU A 20 90.184 -2.893 6.852 1.00 0.00 C ATOM 278 CG LEU A 20 90.428 -3.624 5.516 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.648 -3.022 4.785 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.644 -5.134 5.772 1.00 0.00 C ATOM 0 H LEU A 20 90.108 -3.376 9.344 1.00 0.00 H new ATOM 0 HA LEU A 20 92.190 -3.564 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.347 -3.354 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.907 -1.857 6.658 1.00 0.00 H new ATOM 0 HG LEU A 20 89.551 -3.496 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.805 -3.550 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.467 -1.966 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.534 -3.124 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.816 -5.643 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.509 -5.273 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.760 -5.552 6.253 1.00 0.00 H new ATOM 292 N SER A 21 93.087 -1.216 7.318 1.00 0.00 N ATOM 293 CA SER A 21 93.678 0.131 7.507 1.00 0.00 C ATOM 294 C SER A 21 92.887 1.147 6.700 1.00 0.00 C ATOM 295 O SER A 21 92.396 0.857 5.627 1.00 0.00 O ATOM 296 CB SER A 21 95.132 0.121 7.036 1.00 0.00 C ATOM 297 OG SER A 21 95.879 1.056 7.802 1.00 0.00 O ATOM 0 H SER A 21 93.586 -1.827 6.672 1.00 0.00 H new ATOM 0 HA SER A 21 93.643 0.400 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.555 -0.877 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.185 0.375 5.977 1.00 0.00 H new ATOM 0 HG SER A 21 96.813 1.051 7.504 1.00 0.00 H new ATOM 303 N VAL A 22 92.770 2.342 7.208 1.00 0.00 N ATOM 304 CA VAL A 22 92.018 3.398 6.472 1.00 0.00 C ATOM 305 C VAL A 22 92.771 4.721 6.557 1.00 0.00 C ATOM 306 O VAL A 22 92.854 5.347 7.594 1.00 0.00 O ATOM 307 CB VAL A 22 90.605 3.545 7.058 1.00 0.00 C ATOM 308 CG1 VAL A 22 89.968 4.862 6.601 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.742 2.396 6.552 1.00 0.00 C ATOM 0 H VAL A 22 93.163 2.634 8.103 1.00 0.00 H new ATOM 0 HA VAL A 22 91.929 3.111 5.424 1.00 0.00 H new ATOM 0 HB VAL A 22 90.672 3.535 8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 22 88.968 4.949 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.580 5.699 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 22 89.903 4.876 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.736 2.489 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.695 2.428 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.176 1.448 6.869 1.00 0.00 H new ATOM 319 N HIS A 23 93.296 5.154 5.450 1.00 0.00 N ATOM 320 CA HIS A 23 94.025 6.443 5.411 1.00 0.00 C ATOM 321 C HIS A 23 92.998 7.550 5.186 1.00 0.00 C ATOM 322 O HIS A 23 92.505 7.739 4.091 1.00 0.00 O ATOM 323 CB HIS A 23 95.011 6.396 4.238 1.00 0.00 C ATOM 324 CG HIS A 23 96.306 5.759 4.674 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.497 6.466 4.723 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.610 4.483 5.079 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.454 5.619 5.143 1.00 0.00 C ATOM 328 NE2 HIS A 23 97.967 4.396 5.375 1.00 0.00 N ATOM 0 H HIS A 23 93.249 4.661 4.558 1.00 0.00 H new ATOM 0 HA HIS A 23 94.570 6.627 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.579 5.831 3.412 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.199 7.405 3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 23 95.903 3.670 5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.490 5.894 5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.479 3.576 5.699 1.00 0.00 H new ATOM 336 N VAL A 24 92.662 8.278 6.210 1.00 0.00 N ATOM 337 CA VAL A 24 91.656 9.359 6.037 1.00 0.00 C ATOM 338 C VAL A 24 92.293 10.522 5.265 1.00 0.00 C ATOM 339 O VAL A 24 92.740 11.490 5.844 1.00 0.00 O ATOM 340 CB VAL A 24 91.175 9.840 7.417 1.00 0.00 C ATOM 341 CG1 VAL A 24 89.785 10.483 7.298 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.101 8.648 8.377 1.00 0.00 C ATOM 0 H VAL A 24 93.037 8.173 7.153 1.00 0.00 H new ATOM 0 HA VAL A 24 90.800 8.982 5.477 1.00 0.00 H new ATOM 0 HB VAL A 24 91.879 10.579 7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 24 89.455 10.820 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 24 89.835 11.335 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.078 9.751 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.760 8.989 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.402 7.909 7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.089 8.197 8.474 1.00 0.00 H new ATOM 352 N THR A 25 92.334 10.439 3.960 1.00 0.00 N ATOM 353 CA THR A 25 92.942 11.555 3.178 1.00 0.00 C ATOM 354 C THR A 25 92.197 12.834 3.550 1.00 0.00 C ATOM 355 O THR A 25 91.167 12.782 4.189 1.00 0.00 O ATOM 356 CB THR A 25 92.845 11.290 1.661 1.00 0.00 C ATOM 357 OG1 THR A 25 91.769 12.035 1.110 1.00 0.00 O ATOM 358 CG2 THR A 25 92.631 9.796 1.400 1.00 0.00 C ATOM 0 H THR A 25 91.978 9.658 3.409 1.00 0.00 H new ATOM 0 HA THR A 25 94.002 11.645 3.416 1.00 0.00 H new ATOM 0 HB THR A 25 93.776 11.601 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 25 92.124 12.755 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.564 9.620 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.469 9.232 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.707 9.472 1.879 1.00 0.00 H new ATOM 366 N ASP A 26 92.721 13.976 3.201 1.00 0.00 N ATOM 367 CA ASP A 26 92.052 15.249 3.594 1.00 0.00 C ATOM 368 C ASP A 26 92.302 15.425 5.094 1.00 0.00 C ATOM 369 O ASP A 26 92.712 16.472 5.555 1.00 0.00 O ATOM 370 CB ASP A 26 90.539 15.177 3.296 1.00 0.00 C ATOM 371 CG ASP A 26 89.999 16.578 2.982 1.00 0.00 C ATOM 372 OD1 ASP A 26 90.624 17.540 3.397 1.00 0.00 O ATOM 373 OD2 ASP A 26 88.970 16.662 2.333 1.00 0.00 O ATOM 0 H ASP A 26 93.581 14.084 2.662 1.00 0.00 H new ATOM 0 HA ASP A 26 92.448 16.094 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 26 90.357 14.511 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 26 90.011 14.758 4.153 1.00 0.00 H new ATOM 378 N LEU A 27 92.103 14.373 5.846 1.00 0.00 N ATOM 379 CA LEU A 27 92.372 14.417 7.306 1.00 0.00 C ATOM 380 C LEU A 27 93.854 14.102 7.483 1.00 0.00 C ATOM 381 O LEU A 27 94.514 14.619 8.359 1.00 0.00 O ATOM 382 CB LEU A 27 91.544 13.321 8.016 1.00 0.00 C ATOM 383 CG LEU A 27 90.454 13.903 8.933 1.00 0.00 C ATOM 384 CD1 LEU A 27 91.002 14.994 9.877 1.00 0.00 C ATOM 385 CD2 LEU A 27 89.330 14.453 8.070 1.00 0.00 C ATOM 0 H LEU A 27 91.761 13.476 5.501 1.00 0.00 H new ATOM 0 HA LEU A 27 92.110 15.388 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.079 12.680 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.211 12.691 8.605 1.00 0.00 H new ATOM 0 HG LEU A 27 90.079 13.104 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 27 90.194 15.373 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 27 91.783 14.570 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 27 91.417 15.811 9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 88.551 14.869 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 27 89.721 15.235 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 88.912 13.650 7.463 1.00 0.00 H new ATOM 397 N ASN A 28 94.349 13.214 6.653 1.00 0.00 N ATOM 398 CA ASN A 28 95.771 12.784 6.735 1.00 0.00 C ATOM 399 C ASN A 28 95.925 11.839 7.918 1.00 0.00 C ATOM 400 O ASN A 28 97.022 11.533 8.341 1.00 0.00 O ATOM 401 CB ASN A 28 96.710 13.987 6.910 1.00 0.00 C ATOM 402 CG ASN A 28 98.126 13.570 6.528 1.00 0.00 C ATOM 403 OD1 ASN A 28 98.964 14.396 6.226 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.419 12.304 6.531 1.00 0.00 N ATOM 0 H ASN A 28 93.813 12.764 5.911 1.00 0.00 H new ATOM 0 HA ASN A 28 96.041 12.283 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.380 14.816 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 28 96.686 14.337 7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.358 11.997 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.710 11.617 6.786 1.00 0.00 H new ATOM 411 N ARG A 29 94.834 11.363 8.461 1.00 0.00 N ATOM 412 CA ARG A 29 94.934 10.437 9.605 1.00 0.00 C ATOM 413 C ARG A 29 94.993 9.015 9.089 1.00 0.00 C ATOM 414 O ARG A 29 94.966 8.756 7.902 1.00 0.00 O ATOM 415 CB ARG A 29 93.704 10.554 10.491 1.00 0.00 C ATOM 416 CG ARG A 29 93.581 11.978 11.030 1.00 0.00 C ATOM 417 CD ARG A 29 92.165 12.199 11.571 1.00 0.00 C ATOM 418 NE ARG A 29 92.029 11.536 12.899 1.00 0.00 N ATOM 419 CZ ARG A 29 91.034 11.849 13.685 1.00 0.00 C ATOM 420 NH1 ARG A 29 90.904 11.260 14.843 1.00 0.00 N ATOM 421 NH2 ARG A 29 90.169 12.753 13.315 1.00 0.00 N ATOM 0 H ARG A 29 93.885 11.580 8.156 1.00 0.00 H new ATOM 0 HA ARG A 29 95.829 10.688 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 29 92.811 10.293 9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 29 93.773 9.848 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 29 94.314 12.144 11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 29 93.796 12.697 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.962 13.266 11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.431 11.794 10.874 1.00 0.00 H new ATOM 0 HE ARG A 29 92.712 10.838 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.580 10.554 15.135 1.00 0.00 H new ATOM 0 HH12 ARG A 29 90.126 11.506 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 29 90.270 13.216 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 29 89.392 12.997 13.929 1.00 0.00 H new ATOM 435 N ASP A 30 95.038 8.098 9.990 1.00 0.00 N ATOM 436 CA ASP A 30 95.058 6.662 9.624 1.00 0.00 C ATOM 437 C ASP A 30 94.262 5.919 10.677 1.00 0.00 C ATOM 438 O ASP A 30 94.605 5.922 11.843 1.00 0.00 O ATOM 439 CB ASP A 30 96.490 6.133 9.590 1.00 0.00 C ATOM 440 CG ASP A 30 97.171 6.571 8.292 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.141 7.307 8.375 1.00 0.00 O ATOM 442 OD2 ASP A 30 96.712 6.162 7.238 1.00 0.00 O ATOM 0 H ASP A 30 95.063 8.281 10.993 1.00 0.00 H new ATOM 0 HA ASP A 30 94.628 6.520 8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.047 6.508 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.488 5.045 9.662 1.00 0.00 H new ATOM 447 N VAL A 31 93.184 5.308 10.280 1.00 0.00 N ATOM 448 CA VAL A 31 92.323 4.581 11.254 1.00 0.00 C ATOM 449 C VAL A 31 92.245 3.106 10.883 1.00 0.00 C ATOM 450 O VAL A 31 92.463 2.720 9.752 1.00 0.00 O ATOM 451 CB VAL A 31 90.927 5.192 11.220 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.099 4.608 12.364 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.031 6.719 11.377 1.00 0.00 C ATOM 0 H VAL A 31 92.858 5.280 9.314 1.00 0.00 H new ATOM 0 HA VAL A 31 92.746 4.668 12.255 1.00 0.00 H new ATOM 0 HB VAL A 31 90.446 4.964 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.099 5.040 12.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.029 3.527 12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.578 4.840 13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.033 7.156 11.353 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.508 6.955 12.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.627 7.129 10.561 1.00 0.00 H new ATOM 463 N THR A 32 91.931 2.282 11.845 1.00 0.00 N ATOM 464 CA THR A 32 91.823 0.814 11.600 1.00 0.00 C ATOM 465 C THR A 32 90.522 0.317 12.241 1.00 0.00 C ATOM 466 O THR A 32 90.214 0.642 13.371 1.00 0.00 O ATOM 467 CB THR A 32 93.042 0.102 12.241 1.00 0.00 C ATOM 468 OG1 THR A 32 93.823 1.064 12.936 1.00 0.00 O ATOM 469 CG2 THR A 32 93.918 -0.575 11.174 1.00 0.00 C ATOM 0 H THR A 32 91.742 2.568 12.806 1.00 0.00 H new ATOM 0 HA THR A 32 91.812 0.599 10.531 1.00 0.00 H new ATOM 0 HB THR A 32 92.675 -0.665 12.922 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.596 0.623 13.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.764 -1.065 11.655 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.328 -1.316 10.635 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.284 0.176 10.474 1.00 0.00 H new ATOM 477 N LEU A 33 89.762 -0.460 11.520 1.00 0.00 N ATOM 478 CA LEU A 33 88.471 -0.984 12.047 1.00 0.00 C ATOM 479 C LEU A 33 88.567 -2.499 12.204 1.00 0.00 C ATOM 480 O LEU A 33 88.648 -3.222 11.239 1.00 0.00 O ATOM 481 CB LEU A 33 87.370 -0.648 11.029 1.00 0.00 C ATOM 482 CG LEU A 33 86.812 0.773 11.243 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.839 0.798 12.424 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.946 1.770 11.507 1.00 0.00 C ATOM 0 H LEU A 33 89.986 -0.759 10.571 1.00 0.00 H new ATOM 0 HA LEU A 33 88.245 -0.536 13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.770 -0.734 10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.561 -1.374 11.115 1.00 0.00 H new ATOM 0 HG LEU A 33 86.285 1.061 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.456 1.810 12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.009 0.119 12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.358 0.483 13.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.528 2.766 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.494 1.470 12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.624 1.784 10.654 1.00 0.00 H new ATOM 496 N ARG A 34 88.530 -2.975 13.413 1.00 0.00 N ATOM 497 CA ARG A 34 88.600 -4.438 13.646 1.00 0.00 C ATOM 498 C ARG A 34 87.419 -5.087 12.941 1.00 0.00 C ATOM 499 O ARG A 34 86.287 -4.974 13.368 1.00 0.00 O ATOM 500 CB ARG A 34 88.509 -4.719 15.146 1.00 0.00 C ATOM 501 CG ARG A 34 88.797 -6.203 15.408 1.00 0.00 C ATOM 502 CD ARG A 34 90.280 -6.519 15.161 1.00 0.00 C ATOM 503 NE ARG A 34 90.687 -7.664 16.023 1.00 0.00 N ATOM 504 CZ ARG A 34 90.764 -7.510 17.317 1.00 0.00 C ATOM 505 NH1 ARG A 34 91.122 -8.511 18.073 1.00 0.00 N ATOM 506 NH2 ARG A 34 90.482 -6.355 17.856 1.00 0.00 N ATOM 0 H ARG A 34 88.454 -2.407 14.257 1.00 0.00 H new ATOM 0 HA ARG A 34 89.539 -4.838 13.263 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.223 -4.098 15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.517 -4.459 15.516 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.532 -6.454 16.435 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.175 -6.820 14.759 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.442 -6.763 14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.892 -5.645 15.383 1.00 0.00 H new ATOM 0 HE ARG A 34 90.905 -8.567 15.602 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.342 -9.414 17.653 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.182 -8.391 19.084 1.00 0.00 H new ATOM 0 HH21 ARG A 34 90.201 -5.572 17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 34 90.542 -6.236 18.867 1.00 0.00 H new ATOM 520 N VAL A 35 87.676 -5.744 11.843 1.00 0.00 N ATOM 521 CA VAL A 35 86.578 -6.387 11.067 1.00 0.00 C ATOM 522 C VAL A 35 86.969 -7.799 10.667 1.00 0.00 C ATOM 523 O VAL A 35 87.963 -8.341 11.108 1.00 0.00 O ATOM 524 CB VAL A 35 86.328 -5.583 9.795 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.733 -4.224 10.160 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.644 -5.378 9.041 1.00 0.00 C ATOM 0 H VAL A 35 88.608 -5.864 11.447 1.00 0.00 H new ATOM 0 HA VAL A 35 85.683 -6.418 11.688 1.00 0.00 H new ATOM 0 HB VAL A 35 85.631 -6.128 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.554 -3.649 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.791 -4.369 10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.429 -3.682 10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.458 -4.803 8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.346 -4.837 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.066 -6.347 8.776 1.00 0.00 H new ATOM 536 N THR A 36 86.186 -8.386 9.810 1.00 0.00 N ATOM 537 CA THR A 36 86.470 -9.758 9.328 1.00 0.00 C ATOM 538 C THR A 36 86.092 -9.812 7.852 1.00 0.00 C ATOM 539 O THR A 36 85.563 -8.863 7.308 1.00 0.00 O ATOM 540 CB THR A 36 85.633 -10.765 10.120 1.00 0.00 C ATOM 541 OG1 THR A 36 84.321 -10.255 10.295 1.00 0.00 O ATOM 542 CG2 THR A 36 86.266 -11.005 11.486 1.00 0.00 C ATOM 0 H THR A 36 85.345 -7.962 9.417 1.00 0.00 H new ATOM 0 HA THR A 36 87.523 -10.006 9.462 1.00 0.00 H new ATOM 0 HB THR A 36 85.592 -11.706 9.571 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.784 -10.900 10.801 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.665 -11.723 12.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.274 -11.399 11.356 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.312 -10.065 12.036 1.00 0.00 H new ATOM 550 N GLY A 37 86.357 -10.897 7.191 1.00 0.00 N ATOM 551 CA GLY A 37 86.008 -10.979 5.750 1.00 0.00 C ATOM 552 C GLY A 37 84.522 -11.269 5.600 1.00 0.00 C ATOM 553 O GLY A 37 84.112 -12.092 4.806 1.00 0.00 O ATOM 0 H GLY A 37 86.799 -11.729 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 37 86.258 -10.043 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.592 -11.763 5.268 1.00 0.00 H new ATOM 557 N GLU A 38 83.710 -10.587 6.357 1.00 0.00 N ATOM 558 CA GLU A 38 82.242 -10.797 6.272 1.00 0.00 C ATOM 559 C GLU A 38 81.535 -9.464 6.514 1.00 0.00 C ATOM 560 O GLU A 38 80.323 -9.397 6.571 1.00 0.00 O ATOM 561 CB GLU A 38 81.812 -11.810 7.336 1.00 0.00 C ATOM 562 CG GLU A 38 81.857 -11.167 8.741 1.00 0.00 C ATOM 563 CD GLU A 38 80.487 -10.578 9.097 1.00 0.00 C ATOM 564 OE1 GLU A 38 79.626 -11.339 9.509 1.00 0.00 O ATOM 565 OE2 GLU A 38 80.324 -9.378 8.952 1.00 0.00 O ATOM 0 H GLU A 38 84.005 -9.887 7.037 1.00 0.00 H new ATOM 0 HA GLU A 38 81.977 -11.178 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.803 -12.164 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.468 -12.680 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.144 -11.913 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.615 -10.385 8.767 1.00 0.00 H new ATOM 572 N VAL A 39 82.279 -8.396 6.663 1.00 0.00 N ATOM 573 CA VAL A 39 81.635 -7.076 6.905 1.00 0.00 C ATOM 574 C VAL A 39 81.330 -6.387 5.577 1.00 0.00 C ATOM 575 O VAL A 39 82.131 -6.380 4.668 1.00 0.00 O ATOM 576 CB VAL A 39 82.559 -6.202 7.757 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.129 -7.054 8.893 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.704 -5.619 6.906 1.00 0.00 C ATOM 0 H VAL A 39 83.298 -8.384 6.627 1.00 0.00 H new ATOM 0 HA VAL A 39 80.697 -7.228 7.439 1.00 0.00 H new ATOM 0 HB VAL A 39 81.989 -5.367 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.790 -6.444 9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.313 -7.437 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.691 -7.889 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.346 -5.002 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.289 -6.432 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.287 -5.010 6.104 1.00 0.00 H new ATOM 588 N HIS A 40 80.185 -5.793 5.465 1.00 0.00 N ATOM 589 CA HIS A 40 79.840 -5.092 4.197 1.00 0.00 C ATOM 590 C HIS A 40 80.538 -3.727 4.178 1.00 0.00 C ATOM 591 O HIS A 40 80.690 -3.084 5.198 1.00 0.00 O ATOM 592 CB HIS A 40 78.317 -4.917 4.101 1.00 0.00 C ATOM 593 CG HIS A 40 77.633 -6.085 4.760 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.880 -7.395 4.381 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.711 -6.155 5.775 1.00 0.00 C ATOM 596 CE1 HIS A 40 77.121 -8.191 5.158 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.389 -7.485 6.025 1.00 0.00 N ATOM 0 H HIS A 40 79.470 -5.759 6.192 1.00 0.00 H new ATOM 0 HA HIS A 40 80.175 -5.679 3.342 1.00 0.00 H new ATOM 0 HB2 HIS A 40 78.016 -3.987 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 40 78.014 -4.847 3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.298 -5.306 6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 40 77.106 -9.269 5.089 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.735 -7.844 6.720 1.00 0.00 H new ATOM 605 N ILE A 41 80.972 -3.286 3.028 1.00 0.00 N ATOM 606 CA ILE A 41 81.670 -1.967 2.943 1.00 0.00 C ATOM 607 C ILE A 41 80.908 -0.920 3.733 1.00 0.00 C ATOM 608 O ILE A 41 81.430 -0.291 4.630 1.00 0.00 O ATOM 609 CB ILE A 41 81.709 -1.498 1.496 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.478 -2.506 0.653 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.392 -0.132 1.419 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.272 -2.195 -0.831 1.00 0.00 C ATOM 0 H ILE A 41 80.874 -3.781 2.142 1.00 0.00 H new ATOM 0 HA ILE A 41 82.677 -2.091 3.341 1.00 0.00 H new ATOM 0 HB ILE A 41 80.691 -1.413 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.539 -2.467 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.136 -3.517 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.419 0.203 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.835 0.588 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.410 -0.212 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.823 -2.917 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.211 -2.256 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.636 -1.190 -1.046 1.00 0.00 H new ATOM 624 N GLY A 42 79.679 -0.710 3.380 1.00 0.00 N ATOM 625 CA GLY A 42 78.882 0.313 4.080 1.00 0.00 C ATOM 626 C GLY A 42 78.902 0.013 5.567 1.00 0.00 C ATOM 627 O GLY A 42 78.552 0.833 6.392 1.00 0.00 O ATOM 0 H GLY A 42 79.193 -1.206 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.290 1.306 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.857 0.313 3.708 1.00 0.00 H new ATOM 631 N GLY A 43 79.337 -1.160 5.910 1.00 0.00 N ATOM 632 CA GLY A 43 79.414 -1.531 7.341 1.00 0.00 C ATOM 633 C GLY A 43 80.665 -0.894 7.941 1.00 0.00 C ATOM 634 O GLY A 43 80.740 -0.638 9.122 1.00 0.00 O ATOM 0 H GLY A 43 79.644 -1.881 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.524 -1.189 7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.452 -2.615 7.450 1.00 0.00 H new ATOM 638 N VAL A 44 81.653 -0.645 7.126 1.00 0.00 N ATOM 639 CA VAL A 44 82.918 -0.033 7.628 1.00 0.00 C ATOM 640 C VAL A 44 82.782 1.496 7.718 1.00 0.00 C ATOM 641 O VAL A 44 83.042 2.075 8.754 1.00 0.00 O ATOM 642 CB VAL A 44 84.064 -0.416 6.664 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.229 0.581 6.772 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.578 -1.815 7.011 1.00 0.00 C ATOM 0 H VAL A 44 81.639 -0.841 6.125 1.00 0.00 H new ATOM 0 HA VAL A 44 83.134 -0.407 8.629 1.00 0.00 H new ATOM 0 HB VAL A 44 83.674 -0.396 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 44 86.022 0.289 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.877 1.581 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.615 0.581 7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.386 -2.085 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.949 -1.823 8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.766 -2.536 6.913 1.00 0.00 H new ATOM 654 N MET A 45 82.400 2.173 6.661 1.00 0.00 N ATOM 655 CA MET A 45 82.299 3.654 6.774 1.00 0.00 C ATOM 656 C MET A 45 81.382 3.999 7.949 1.00 0.00 C ATOM 657 O MET A 45 81.532 5.024 8.584 1.00 0.00 O ATOM 658 CB MET A 45 81.781 4.282 5.467 1.00 0.00 C ATOM 659 CG MET A 45 80.619 3.459 4.851 1.00 0.00 C ATOM 660 SD MET A 45 79.135 4.510 4.731 1.00 0.00 S ATOM 661 CE MET A 45 78.388 3.777 3.252 1.00 0.00 C ATOM 0 H MET A 45 82.161 1.775 5.753 1.00 0.00 H new ATOM 0 HA MET A 45 83.292 4.067 6.953 1.00 0.00 H new ATOM 0 HB2 MET A 45 81.442 5.299 5.662 1.00 0.00 H new ATOM 0 HB3 MET A 45 82.598 4.351 4.749 1.00 0.00 H new ATOM 0 HG2 MET A 45 80.901 3.093 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.411 2.585 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.750 4.513 2.764 1.00 0.00 H new ATOM 0 HE2 MET A 45 79.174 3.465 2.564 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.790 2.911 3.537 1.00 0.00 H new ATOM 671 N LEU A 46 80.458 3.132 8.270 1.00 0.00 N ATOM 672 CA LEU A 46 79.565 3.397 9.435 1.00 0.00 C ATOM 673 C LEU A 46 80.426 3.423 10.701 1.00 0.00 C ATOM 674 O LEU A 46 80.548 4.433 11.364 1.00 0.00 O ATOM 675 CB LEU A 46 78.524 2.271 9.552 1.00 0.00 C ATOM 676 CG LEU A 46 77.580 2.518 10.775 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.145 2.799 10.309 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.560 1.283 11.689 1.00 0.00 C ATOM 0 H LEU A 46 80.284 2.256 7.778 1.00 0.00 H new ATOM 0 HA LEU A 46 79.049 4.348 9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.935 2.216 8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 79.029 1.312 9.664 1.00 0.00 H new ATOM 0 HG LEU A 46 77.962 3.382 11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.507 2.968 11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.136 3.685 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.772 1.944 9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.899 1.468 12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.198 0.421 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.568 1.083 12.052 1.00 0.00 H new ATOM 690 N LYS A 47 81.027 2.312 11.035 1.00 0.00 N ATOM 691 CA LYS A 47 81.886 2.253 12.255 1.00 0.00 C ATOM 692 C LYS A 47 82.921 3.381 12.227 1.00 0.00 C ATOM 693 O LYS A 47 83.053 4.148 13.159 1.00 0.00 O ATOM 694 CB LYS A 47 82.635 0.923 12.278 1.00 0.00 C ATOM 695 CG LYS A 47 81.651 -0.237 12.189 1.00 0.00 C ATOM 696 CD LYS A 47 82.431 -1.547 12.043 1.00 0.00 C ATOM 697 CE LYS A 47 81.465 -2.693 11.739 1.00 0.00 C ATOM 698 NZ LYS A 47 80.675 -3.013 12.961 1.00 0.00 N ATOM 0 H LYS A 47 80.960 1.438 10.513 1.00 0.00 H new ATOM 0 HA LYS A 47 81.251 2.355 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.337 0.878 11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.221 0.843 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.026 -0.269 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.984 -0.100 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.166 -1.456 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.982 -1.757 12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.797 -2.414 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.019 -3.572 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.079 -3.846 12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.322 -3.214 13.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.071 -2.202 13.206 1.00 0.00 H new ATOM 712 N LEU A 48 83.671 3.464 11.166 1.00 0.00 N ATOM 713 CA LEU A 48 84.726 4.512 11.058 1.00 0.00 C ATOM 714 C LEU A 48 84.172 5.867 11.517 1.00 0.00 C ATOM 715 O LEU A 48 84.757 6.530 12.351 1.00 0.00 O ATOM 716 CB LEU A 48 85.176 4.577 9.593 1.00 0.00 C ATOM 717 CG LEU A 48 86.173 5.721 9.341 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.471 5.492 10.112 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.486 5.760 7.846 1.00 0.00 C ATOM 0 H LEU A 48 83.599 2.844 10.359 1.00 0.00 H new ATOM 0 HA LEU A 48 85.575 4.268 11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.635 3.629 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.304 4.710 8.953 1.00 0.00 H new ATOM 0 HG LEU A 48 85.733 6.660 9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.160 6.314 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.256 5.443 11.180 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.925 4.555 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.192 6.565 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.922 4.809 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.567 5.934 7.286 1.00 0.00 H new ATOM 731 N VAL A 49 83.053 6.287 10.994 1.00 0.00 N ATOM 732 CA VAL A 49 82.485 7.597 11.425 1.00 0.00 C ATOM 733 C VAL A 49 82.076 7.503 12.898 1.00 0.00 C ATOM 734 O VAL A 49 82.385 8.368 13.694 1.00 0.00 O ATOM 735 CB VAL A 49 81.262 7.937 10.567 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.505 9.123 11.177 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.721 8.307 9.155 1.00 0.00 C ATOM 0 H VAL A 49 82.510 5.784 10.292 1.00 0.00 H new ATOM 0 HA VAL A 49 83.232 8.381 11.302 1.00 0.00 H new ATOM 0 HB VAL A 49 80.602 7.071 10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.637 9.357 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.176 8.865 12.184 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.163 9.991 11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.853 8.549 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.384 9.171 9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.253 7.465 8.713 1.00 0.00 H new ATOM 747 N GLU A 50 81.385 6.457 13.267 1.00 0.00 N ATOM 748 CA GLU A 50 80.958 6.308 14.688 1.00 0.00 C ATOM 749 C GLU A 50 82.151 6.569 15.609 1.00 0.00 C ATOM 750 O GLU A 50 82.026 7.196 16.642 1.00 0.00 O ATOM 751 CB GLU A 50 80.446 4.885 14.927 1.00 0.00 C ATOM 752 CG GLU A 50 79.096 4.688 14.228 1.00 0.00 C ATOM 753 CD GLU A 50 78.032 5.551 14.910 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.661 5.227 16.026 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.608 6.521 14.305 1.00 0.00 O ATOM 0 H GLU A 50 81.098 5.700 12.646 1.00 0.00 H new ATOM 0 HA GLU A 50 80.163 7.023 14.899 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.169 4.162 14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.341 4.703 15.996 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.178 4.958 13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.806 3.638 14.266 1.00 0.00 H new ATOM 762 N LYS A 51 83.304 6.085 15.244 1.00 0.00 N ATOM 763 CA LYS A 51 84.505 6.293 16.092 1.00 0.00 C ATOM 764 C LYS A 51 84.915 7.765 16.066 1.00 0.00 C ATOM 765 O LYS A 51 85.224 8.350 17.084 1.00 0.00 O ATOM 766 CB LYS A 51 85.640 5.437 15.551 1.00 0.00 C ATOM 767 CG LYS A 51 85.266 3.961 15.695 1.00 0.00 C ATOM 768 CD LYS A 51 86.430 3.086 15.216 1.00 0.00 C ATOM 769 CE LYS A 51 86.312 1.686 15.825 1.00 0.00 C ATOM 770 NZ LYS A 51 87.512 0.880 15.464 1.00 0.00 N ATOM 0 H LYS A 51 83.465 5.552 14.390 1.00 0.00 H new ATOM 0 HA LYS A 51 84.281 6.009 17.120 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.826 5.677 14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.561 5.646 16.095 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.032 3.735 16.735 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.371 3.744 15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.424 3.021 14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.379 3.539 15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.222 1.757 16.909 1.00 0.00 H new ATOM 0 HE3 LYS A 51 85.409 1.195 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.213 -0.063 15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.033 1.356 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.129 0.784 16.296 1.00 0.00 H new ATOM 784 N LEU A 52 84.913 8.376 14.911 1.00 0.00 N ATOM 785 CA LEU A 52 85.289 9.801 14.814 1.00 0.00 C ATOM 786 C LEU A 52 84.508 10.575 15.880 1.00 0.00 C ATOM 787 O LEU A 52 85.072 11.207 16.748 1.00 0.00 O ATOM 788 CB LEU A 52 84.915 10.271 13.396 1.00 0.00 C ATOM 789 CG LEU A 52 86.037 11.111 12.767 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.512 12.206 13.742 1.00 0.00 C ATOM 791 CD2 LEU A 52 87.226 10.213 12.369 1.00 0.00 C ATOM 0 H LEU A 52 84.663 7.936 14.025 1.00 0.00 H new ATOM 0 HA LEU A 52 86.354 9.964 14.982 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.711 9.405 12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.998 10.859 13.436 1.00 0.00 H new ATOM 0 HG LEU A 52 85.639 11.589 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.307 12.789 13.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 85.677 12.862 13.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.889 11.743 14.654 1.00 0.00 H new ATOM 0 HD21 LEU A 52 88.011 10.825 11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.615 9.710 13.255 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.894 9.469 11.646 1.00 0.00 H new ATOM 803 N ASP A 53 83.210 10.488 15.812 1.00 0.00 N ATOM 804 CA ASP A 53 82.329 11.160 16.804 1.00 0.00 C ATOM 805 C ASP A 53 82.302 12.655 16.550 1.00 0.00 C ATOM 806 O ASP A 53 82.909 13.437 17.253 1.00 0.00 O ATOM 807 CB ASP A 53 82.845 10.858 18.203 1.00 0.00 C ATOM 808 CG ASP A 53 81.702 10.929 19.221 1.00 0.00 C ATOM 809 OD1 ASP A 53 81.409 12.022 19.679 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.138 9.890 19.524 1.00 0.00 O ATOM 0 H ASP A 53 82.711 9.966 15.092 1.00 0.00 H new ATOM 0 HA ASP A 53 81.310 10.786 16.709 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.298 9.867 18.224 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.625 11.571 18.472 1.00 0.00 H new ATOM 815 N VAL A 54 81.595 13.042 15.540 1.00 0.00 N ATOM 816 CA VAL A 54 81.504 14.477 15.194 1.00 0.00 C ATOM 817 C VAL A 54 80.515 14.647 14.044 1.00 0.00 C ATOM 818 O VAL A 54 80.554 13.933 13.063 1.00 0.00 O ATOM 819 CB VAL A 54 82.891 14.971 14.788 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.488 14.014 13.761 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.794 16.379 14.193 1.00 0.00 C ATOM 0 H VAL A 54 81.068 12.418 14.929 1.00 0.00 H new ATOM 0 HA VAL A 54 81.155 15.059 16.047 1.00 0.00 H new ATOM 0 HB VAL A 54 83.533 15.006 15.668 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.478 14.364 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.569 13.018 14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.844 13.975 12.883 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.788 16.722 13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.150 16.359 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.375 17.059 14.934 1.00 0.00 H new ATOM 831 N LYS A 55 79.624 15.585 14.165 1.00 0.00 N ATOM 832 CA LYS A 55 78.622 15.806 13.091 1.00 0.00 C ATOM 833 C LYS A 55 79.324 16.379 11.848 1.00 0.00 C ATOM 834 O LYS A 55 78.776 17.194 11.134 1.00 0.00 O ATOM 835 CB LYS A 55 77.549 16.782 13.611 1.00 0.00 C ATOM 836 CG LYS A 55 76.355 16.002 14.190 1.00 0.00 C ATOM 837 CD LYS A 55 75.393 15.567 13.079 1.00 0.00 C ATOM 838 CE LYS A 55 74.086 15.035 13.692 1.00 0.00 C ATOM 839 NZ LYS A 55 73.619 13.859 12.912 1.00 0.00 N ATOM 0 H LYS A 55 79.546 16.212 14.966 1.00 0.00 H new ATOM 0 HA LYS A 55 78.145 14.866 12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.976 17.429 14.378 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.212 17.428 12.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.715 15.125 14.728 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.825 16.624 14.912 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.179 16.410 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.858 14.794 12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.247 14.754 14.733 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.325 15.815 13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.295 13.116 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 72.833 14.143 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.402 13.494 12.332 1.00 0.00 H new ATOM 853 N LYS A 56 80.529 15.957 11.573 1.00 0.00 N ATOM 854 CA LYS A 56 81.229 16.487 10.364 1.00 0.00 C ATOM 855 C LYS A 56 80.690 15.763 9.129 1.00 0.00 C ATOM 856 O LYS A 56 80.524 14.560 9.126 1.00 0.00 O ATOM 857 CB LYS A 56 82.744 16.266 10.500 1.00 0.00 C ATOM 858 CG LYS A 56 83.442 16.413 9.139 1.00 0.00 C ATOM 859 CD LYS A 56 84.952 16.587 9.360 1.00 0.00 C ATOM 860 CE LYS A 56 85.705 16.384 8.041 1.00 0.00 C ATOM 861 NZ LYS A 56 85.436 17.535 7.132 1.00 0.00 N ATOM 0 H LYS A 56 81.054 15.278 12.124 1.00 0.00 H new ATOM 0 HA LYS A 56 81.048 17.557 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.159 16.985 11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.936 15.273 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.252 15.534 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.040 17.272 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.157 17.582 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.304 15.870 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.775 16.299 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.390 15.453 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.961 17.406 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 84.417 17.586 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.742 18.417 7.589 1.00 0.00 H new ATOM 875 N ASP A 57 80.410 16.486 8.082 1.00 0.00 N ATOM 876 CA ASP A 57 79.876 15.833 6.848 1.00 0.00 C ATOM 877 C ASP A 57 80.768 14.654 6.487 1.00 0.00 C ATOM 878 O ASP A 57 81.948 14.818 6.249 1.00 0.00 O ATOM 879 CB ASP A 57 79.873 16.833 5.693 1.00 0.00 C ATOM 880 CG ASP A 57 79.022 16.287 4.543 1.00 0.00 C ATOM 881 OD1 ASP A 57 79.590 15.688 3.645 1.00 0.00 O ATOM 882 OD2 ASP A 57 77.818 16.480 4.580 1.00 0.00 O ATOM 0 H ASP A 57 80.526 17.498 8.024 1.00 0.00 H new ATOM 0 HA ASP A 57 78.857 15.490 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 57 79.476 17.791 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.892 17.012 5.351 1.00 0.00 H new ATOM 887 N TRP A 58 80.220 13.463 6.455 1.00 0.00 N ATOM 888 CA TRP A 58 81.040 12.263 6.123 1.00 0.00 C ATOM 889 C TRP A 58 80.491 11.566 4.879 1.00 0.00 C ATOM 890 O TRP A 58 81.239 11.042 4.079 1.00 0.00 O ATOM 891 CB TRP A 58 81.000 11.293 7.297 1.00 0.00 C ATOM 892 CG TRP A 58 81.720 11.878 8.473 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.156 12.090 9.684 1.00 0.00 C ATOM 894 CD2 TRP A 58 83.109 12.327 8.584 1.00 0.00 C ATOM 895 NE1 TRP A 58 82.097 12.646 10.527 1.00 0.00 N ATOM 896 CE2 TRP A 58 83.315 12.812 9.899 1.00 0.00 C ATOM 897 CE3 TRP A 58 84.202 12.366 7.690 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.549 13.317 10.308 1.00 0.00 C ATOM 899 CZ3 TRP A 58 85.444 12.873 8.105 1.00 0.00 C ATOM 900 CH2 TRP A 58 85.616 13.348 9.409 1.00 0.00 C ATOM 0 H TRP A 58 79.236 13.273 6.646 1.00 0.00 H new ATOM 0 HA TRP A 58 82.065 12.578 5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.966 11.077 7.565 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.460 10.347 7.013 1.00 0.00 H new ATOM 0 HD1 TRP A 58 80.134 11.861 9.949 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.914 12.903 11.497 1.00 0.00 H new ATOM 0 HE3 TRP A 58 84.082 12.003 6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.678 13.682 11.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 86.272 12.896 7.412 1.00 0.00 H new ATOM 0 HH2 TRP A 58 86.574 13.738 9.720 1.00 0.00 H new ATOM 911 N SER A 59 79.196 11.549 4.709 1.00 0.00 N ATOM 912 CA SER A 59 78.601 10.878 3.508 1.00 0.00 C ATOM 913 C SER A 59 79.421 11.243 2.272 1.00 0.00 C ATOM 914 O SER A 59 79.855 10.387 1.528 1.00 0.00 O ATOM 915 CB SER A 59 77.160 11.339 3.320 1.00 0.00 C ATOM 916 OG SER A 59 76.504 10.461 2.415 1.00 0.00 O ATOM 0 H SER A 59 78.521 11.970 5.348 1.00 0.00 H new ATOM 0 HA SER A 59 78.613 9.798 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.640 11.348 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.139 12.359 2.936 1.00 0.00 H new ATOM 0 HG SER A 59 75.576 10.752 2.292 1.00 0.00 H new ATOM 922 N ASP A 60 79.671 12.508 2.068 1.00 0.00 N ATOM 923 CA ASP A 60 80.501 12.908 0.904 1.00 0.00 C ATOM 924 C ASP A 60 81.821 12.150 1.011 1.00 0.00 C ATOM 925 O ASP A 60 82.324 11.606 0.050 1.00 0.00 O ATOM 926 CB ASP A 60 80.760 14.416 0.952 1.00 0.00 C ATOM 927 CG ASP A 60 81.796 14.794 -0.110 1.00 0.00 C ATOM 928 OD1 ASP A 60 81.704 14.274 -1.210 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.662 15.596 0.196 1.00 0.00 O ATOM 0 H ASP A 60 79.338 13.274 2.654 1.00 0.00 H new ATOM 0 HA ASP A 60 79.997 12.676 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 60 79.832 14.960 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.117 14.702 1.941 1.00 0.00 H new ATOM 934 N HIS A 61 82.360 12.090 2.199 1.00 0.00 N ATOM 935 CA HIS A 61 83.626 11.352 2.422 1.00 0.00 C ATOM 936 C HIS A 61 83.341 9.864 2.307 1.00 0.00 C ATOM 937 O HIS A 61 82.608 9.295 3.092 1.00 0.00 O ATOM 938 CB HIS A 61 84.157 11.663 3.823 1.00 0.00 C ATOM 939 CG HIS A 61 84.163 13.152 4.051 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.126 13.973 3.633 1.00 0.00 N ATOM 941 CD2 HIS A 61 85.077 13.981 4.654 1.00 0.00 C ATOM 942 CE1 HIS A 61 83.440 15.234 3.987 1.00 0.00 C ATOM 943 NE2 HIS A 61 84.618 15.294 4.612 1.00 0.00 N ATOM 0 H HIS A 61 81.968 12.528 3.032 1.00 0.00 H new ATOM 0 HA HIS A 61 84.370 11.650 1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.536 11.174 4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 61 85.166 11.265 3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 61 86.010 13.662 5.094 1.00 0.00 H new ATOM 0 HE1 HIS A 61 82.815 16.092 3.789 1.00 0.00 H new ATOM 0 HE2 HIS A 61 85.082 16.124 4.980 1.00 0.00 H new ATOM 951 N ALA A 62 83.914 9.234 1.320 1.00 0.00 N ATOM 952 CA ALA A 62 83.695 7.778 1.110 1.00 0.00 C ATOM 953 C ALA A 62 85.050 7.097 0.958 1.00 0.00 C ATOM 954 O ALA A 62 86.071 7.745 0.835 1.00 0.00 O ATOM 955 CB ALA A 62 82.856 7.582 -0.155 1.00 0.00 C ATOM 0 H ALA A 62 84.534 9.674 0.640 1.00 0.00 H new ATOM 0 HA ALA A 62 83.168 7.341 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.689 6.518 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.897 8.086 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.384 8.003 -1.011 1.00 0.00 H new ATOM 961 N LEU A 63 85.070 5.795 0.986 1.00 0.00 N ATOM 962 CA LEU A 63 86.363 5.050 0.868 1.00 0.00 C ATOM 963 C LEU A 63 86.612 4.624 -0.584 1.00 0.00 C ATOM 964 O LEU A 63 85.704 4.402 -1.360 1.00 0.00 O ATOM 965 CB LEU A 63 86.349 3.826 1.820 1.00 0.00 C ATOM 966 CG LEU A 63 84.917 3.317 1.965 1.00 0.00 C ATOM 967 CD1 LEU A 63 84.383 2.975 0.584 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.882 2.075 2.862 1.00 0.00 C ATOM 0 H LEU A 63 84.243 5.207 1.086 1.00 0.00 H new ATOM 0 HA LEU A 63 87.182 5.707 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 63 86.990 3.037 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 63 86.749 4.104 2.795 1.00 0.00 H new ATOM 0 HG LEU A 63 84.298 4.088 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 63 83.360 2.609 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 63 84.398 3.866 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 85.007 2.204 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.855 1.723 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 63 85.495 1.290 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 63 85.271 2.328 3.848 1.00 0.00 H new ATOM 980 N TRP A 64 87.859 4.548 -0.952 1.00 0.00 N ATOM 981 CA TRP A 64 88.235 4.171 -2.352 1.00 0.00 C ATOM 982 C TRP A 64 89.485 3.270 -2.279 1.00 0.00 C ATOM 983 O TRP A 64 90.336 3.445 -1.431 1.00 0.00 O ATOM 984 CB TRP A 64 88.461 5.504 -3.135 1.00 0.00 C ATOM 985 CG TRP A 64 89.898 5.751 -3.496 1.00 0.00 C ATOM 986 CD1 TRP A 64 90.936 5.734 -2.634 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.452 6.105 -4.795 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.101 6.012 -3.327 1.00 0.00 N ATOM 989 CE2 TRP A 64 91.852 6.257 -4.663 1.00 0.00 C ATOM 990 CE3 TRP A 64 89.882 6.295 -6.067 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.658 6.589 -5.752 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.689 6.633 -7.165 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.074 6.780 -7.008 1.00 0.00 C ATOM 0 H TRP A 64 88.650 4.733 -0.335 1.00 0.00 H new ATOM 0 HA TRP A 64 87.467 3.603 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.864 5.486 -4.047 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.098 6.336 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 64 90.868 5.536 -1.575 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.029 6.033 -2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.816 6.180 -6.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.725 6.698 -5.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.240 6.781 -8.136 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.690 7.041 -7.856 1.00 0.00 H new ATOM 1004 N TRP A 65 89.588 2.271 -3.124 1.00 0.00 N ATOM 1005 CA TRP A 65 90.778 1.361 -3.060 1.00 0.00 C ATOM 1006 C TRP A 65 91.829 1.847 -4.058 1.00 0.00 C ATOM 1007 O TRP A 65 91.814 1.460 -5.203 1.00 0.00 O ATOM 1008 CB TRP A 65 90.359 -0.072 -3.417 1.00 0.00 C ATOM 1009 CG TRP A 65 91.406 -1.059 -2.976 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.633 -0.750 -2.483 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.335 -2.518 -2.988 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.308 -1.920 -2.188 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.553 -3.036 -2.486 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.340 -3.432 -3.383 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.775 -4.410 -2.380 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.562 -4.815 -3.280 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.777 -5.303 -2.779 1.00 0.00 C ATOM 0 H TRP A 65 88.907 2.047 -3.849 1.00 0.00 H new ATOM 0 HA TRP A 65 91.190 1.370 -2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.407 -0.307 -2.941 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.206 -0.154 -4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.019 0.249 -2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.250 -1.954 -1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.399 -3.067 -3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.712 -4.781 -1.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.792 -5.507 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.941 -6.368 -2.702 1.00 0.00 H new ATOM 1028 N GLU A 66 92.732 2.699 -3.645 1.00 0.00 N ATOM 1029 CA GLU A 66 93.764 3.211 -4.598 1.00 0.00 C ATOM 1030 C GLU A 66 94.520 2.054 -5.242 1.00 0.00 C ATOM 1031 O GLU A 66 95.064 2.193 -6.316 1.00 0.00 O ATOM 1032 CB GLU A 66 94.757 4.107 -3.873 1.00 0.00 C ATOM 1033 CG GLU A 66 95.233 3.409 -2.605 1.00 0.00 C ATOM 1034 CD GLU A 66 96.223 4.310 -1.864 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.531 4.006 -0.723 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.655 5.289 -2.449 1.00 0.00 O ATOM 0 H GLU A 66 92.800 3.061 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 66 93.252 3.784 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.605 4.328 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.290 5.060 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.383 3.180 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.707 2.460 -2.856 1.00 0.00 H new ATOM 1043 N LYS A 67 94.561 0.908 -4.627 1.00 0.00 N ATOM 1044 CA LYS A 67 95.281 -0.212 -5.287 1.00 0.00 C ATOM 1045 C LYS A 67 94.478 -0.550 -6.535 1.00 0.00 C ATOM 1046 O LYS A 67 94.889 -1.310 -7.389 1.00 0.00 O ATOM 1047 CB LYS A 67 95.343 -1.444 -4.380 1.00 0.00 C ATOM 1048 CG LYS A 67 95.871 -1.067 -2.994 1.00 0.00 C ATOM 1049 CD LYS A 67 97.255 -0.423 -3.109 1.00 0.00 C ATOM 1050 CE LYS A 67 97.978 -0.480 -1.748 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.913 -1.639 -1.737 1.00 0.00 N ATOM 0 H LYS A 67 94.140 0.701 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 67 96.307 0.076 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.351 -1.886 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.988 -2.200 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.180 -0.377 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.927 -1.955 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.845 -0.941 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.157 0.612 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.526 0.446 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.252 -0.576 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.403 -1.681 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.378 -2.518 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.612 -1.528 -2.499 1.00 0.00 H new ATOM 1065 N LYS A 68 93.307 0.026 -6.612 1.00 0.00 N ATOM 1066 CA LYS A 68 92.387 -0.209 -7.755 1.00 0.00 C ATOM 1067 C LYS A 68 91.853 1.140 -8.237 1.00 0.00 C ATOM 1068 O LYS A 68 91.213 1.234 -9.265 1.00 0.00 O ATOM 1069 CB LYS A 68 91.201 -1.081 -7.288 1.00 0.00 C ATOM 1070 CG LYS A 68 91.653 -2.107 -6.238 1.00 0.00 C ATOM 1071 CD LYS A 68 92.410 -3.249 -6.925 1.00 0.00 C ATOM 1072 CE LYS A 68 93.187 -4.067 -5.884 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.329 -5.472 -6.362 1.00 0.00 N ATOM 0 H LYS A 68 92.944 0.668 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 68 92.918 -0.716 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.421 -0.446 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.766 -1.598 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.293 -1.627 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.788 -2.500 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.709 -3.893 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 93.097 -2.845 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.170 -3.626 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.665 -4.048 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.855 -6.027 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.386 -5.890 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.845 -5.481 -7.265 1.00 0.00 H new ATOM 1087 N ARG A 69 92.083 2.182 -7.479 1.00 0.00 N ATOM 1088 CA ARG A 69 91.559 3.516 -7.871 1.00 0.00 C ATOM 1089 C ARG A 69 90.066 3.352 -8.126 1.00 0.00 C ATOM 1090 O ARG A 69 89.541 3.785 -9.133 1.00 0.00 O ATOM 1091 CB ARG A 69 92.262 4.016 -9.145 1.00 0.00 C ATOM 1092 CG ARG A 69 93.695 4.497 -8.827 1.00 0.00 C ATOM 1093 CD ARG A 69 94.673 3.318 -8.855 1.00 0.00 C ATOM 1094 NE ARG A 69 95.069 3.027 -10.261 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.952 3.780 -10.858 1.00 0.00 C ATOM 1096 NH1 ARG A 69 96.318 3.514 -12.082 1.00 0.00 N ATOM 1097 NH2 ARG A 69 96.467 4.801 -10.229 1.00 0.00 N ATOM 0 H ARG A 69 92.611 2.162 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 69 91.742 4.248 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.298 3.216 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.689 4.832 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.002 5.250 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.717 4.972 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.556 3.551 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.210 2.438 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 69 94.650 2.240 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.914 2.717 -12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 69 97.008 4.103 -12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 69 96.179 5.009 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.157 5.391 -10.694 1.00 0.00 H new ATOM 1111 N THR A 70 89.389 2.693 -7.217 1.00 0.00 N ATOM 1112 CA THR A 70 87.929 2.443 -7.379 1.00 0.00 C ATOM 1113 C THR A 70 87.159 3.165 -6.289 1.00 0.00 C ATOM 1114 O THR A 70 87.712 3.887 -5.503 1.00 0.00 O ATOM 1115 CB THR A 70 87.684 0.932 -7.249 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.429 0.601 -7.826 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.703 0.492 -5.774 1.00 0.00 C ATOM 0 H THR A 70 89.794 2.315 -6.361 1.00 0.00 H new ATOM 0 HA THR A 70 87.595 2.806 -8.351 1.00 0.00 H new ATOM 0 HB THR A 70 88.484 0.410 -7.774 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.275 -0.363 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.527 -0.582 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.674 0.726 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.922 1.020 -5.227 1.00 0.00 H new ATOM 1125 N TRP A 71 85.890 2.906 -6.216 1.00 0.00 N ATOM 1126 CA TRP A 71 85.033 3.495 -5.154 1.00 0.00 C ATOM 1127 C TRP A 71 84.267 2.331 -4.543 1.00 0.00 C ATOM 1128 O TRP A 71 83.302 1.843 -5.080 1.00 0.00 O ATOM 1129 CB TRP A 71 84.080 4.555 -5.730 1.00 0.00 C ATOM 1130 CG TRP A 71 83.601 4.199 -7.105 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.553 2.956 -7.643 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.076 5.099 -8.125 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.024 3.040 -8.908 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.721 4.338 -9.259 1.00 0.00 C ATOM 1135 CE3 TRP A 71 82.878 6.491 -8.171 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.184 4.933 -10.402 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 82.341 7.095 -9.320 1.00 0.00 C ATOM 1138 CH2 TRP A 71 81.995 6.317 -10.434 1.00 0.00 C ATOM 0 H TRP A 71 85.396 2.294 -6.865 1.00 0.00 H new ATOM 0 HA TRP A 71 85.631 4.011 -4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.223 4.669 -5.067 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.588 5.519 -5.762 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.878 2.048 -7.157 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.873 2.236 -9.517 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.140 7.099 -7.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 81.917 4.328 -11.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 82.194 8.165 -9.345 1.00 0.00 H new ATOM 0 HH2 TRP A 71 81.583 6.787 -11.315 1.00 0.00 H new ATOM 1149 N LEU A 72 84.718 1.848 -3.440 1.00 0.00 N ATOM 1150 CA LEU A 72 84.045 0.671 -2.845 1.00 0.00 C ATOM 1151 C LEU A 72 82.611 1.048 -2.498 1.00 0.00 C ATOM 1152 O LEU A 72 82.297 1.474 -1.408 1.00 0.00 O ATOM 1153 CB LEU A 72 84.798 0.175 -1.602 1.00 0.00 C ATOM 1154 CG LEU A 72 86.345 0.265 -1.804 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.049 0.665 -0.484 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.916 -1.072 -2.354 1.00 0.00 C ATOM 0 H LEU A 72 85.518 2.209 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 72 84.041 -0.146 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.507 0.769 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.516 -0.856 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 72 86.543 1.041 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.125 0.722 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.681 1.637 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.838 -0.081 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.994 -0.981 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.703 -1.876 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.452 -1.298 -3.314 1.00 0.00 H new ATOM 1168 N LEU A 73 81.748 0.888 -3.455 1.00 0.00 N ATOM 1169 CA LEU A 73 80.296 1.210 -3.269 1.00 0.00 C ATOM 1170 C LEU A 73 79.485 -0.063 -3.492 1.00 0.00 C ATOM 1171 O LEU A 73 78.278 -0.030 -3.632 1.00 0.00 O ATOM 1172 CB LEU A 73 79.852 2.295 -4.272 1.00 0.00 C ATOM 1173 CG LEU A 73 80.273 1.935 -5.727 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.152 1.181 -6.451 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.563 3.216 -6.520 1.00 0.00 C ATOM 0 H LEU A 73 81.986 0.540 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 73 80.132 1.589 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.770 2.415 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.291 3.252 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 73 81.162 1.307 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.471 0.941 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.927 0.260 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.259 1.805 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.857 2.956 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.667 3.837 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.371 3.767 -6.039 1.00 0.00 H new ATOM 1187 N LYS A 74 80.146 -1.191 -3.528 1.00 0.00 N ATOM 1188 CA LYS A 74 79.426 -2.479 -3.745 1.00 0.00 C ATOM 1189 C LYS A 74 78.952 -3.008 -2.380 1.00 0.00 C ATOM 1190 O LYS A 74 79.504 -3.940 -1.829 1.00 0.00 O ATOM 1191 CB LYS A 74 80.387 -3.487 -4.436 1.00 0.00 C ATOM 1192 CG LYS A 74 79.900 -3.852 -5.863 1.00 0.00 C ATOM 1193 CD LYS A 74 79.793 -2.620 -6.788 1.00 0.00 C ATOM 1194 CE LYS A 74 81.019 -1.717 -6.647 1.00 0.00 C ATOM 1195 NZ LYS A 74 81.134 -0.846 -7.851 1.00 0.00 N ATOM 0 H LYS A 74 81.156 -1.275 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 74 78.558 -2.338 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.388 -3.058 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.461 -4.392 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.588 -4.574 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 74 78.927 -4.338 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 74 79.695 -2.946 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 74 78.892 -2.056 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 80.932 -1.105 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.919 -2.322 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 81.408 0.114 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.856 -1.233 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 80.218 -0.811 -8.343 1.00 0.00 H new ATOM 1209 N THR A 75 77.930 -2.414 -1.829 1.00 0.00 N ATOM 1210 CA THR A 75 77.429 -2.887 -0.509 1.00 0.00 C ATOM 1211 C THR A 75 76.914 -4.323 -0.674 1.00 0.00 C ATOM 1212 O THR A 75 76.889 -5.098 0.262 1.00 0.00 O ATOM 1213 CB THR A 75 76.301 -1.947 -0.022 1.00 0.00 C ATOM 1214 OG1 THR A 75 76.420 -0.698 -0.688 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.407 -1.720 1.493 1.00 0.00 C ATOM 0 H THR A 75 77.423 -1.626 -2.233 1.00 0.00 H new ATOM 0 HA THR A 75 78.226 -2.875 0.234 1.00 0.00 H new ATOM 0 HB THR A 75 75.337 -2.405 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.533 -0.293 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.606 -1.056 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.320 -2.675 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.371 -1.267 1.727 1.00 0.00 H new ATOM 1223 N HIS A 76 76.518 -4.682 -1.869 1.00 0.00 N ATOM 1224 CA HIS A 76 76.021 -6.067 -2.114 1.00 0.00 C ATOM 1225 C HIS A 76 77.225 -6.985 -2.336 1.00 0.00 C ATOM 1226 O HIS A 76 77.513 -7.390 -3.445 1.00 0.00 O ATOM 1227 CB HIS A 76 75.128 -6.079 -3.358 1.00 0.00 C ATOM 1228 CG HIS A 76 74.462 -7.422 -3.489 1.00 0.00 C ATOM 1229 ND1 HIS A 76 74.271 -8.262 -2.403 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.936 -8.084 -4.572 1.00 0.00 C ATOM 1231 CE1 HIS A 76 73.654 -9.371 -2.852 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.426 -9.313 -4.167 1.00 0.00 N ATOM 0 H HIS A 76 76.518 -4.073 -2.687 1.00 0.00 H new ATOM 0 HA HIS A 76 75.442 -6.413 -1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 76 74.375 -5.294 -3.285 1.00 0.00 H new ATOM 0 HB3 HIS A 76 75.723 -5.869 -4.247 1.00 0.00 H new ATOM 0 HD2 HIS A 76 73.921 -7.707 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 76 73.377 -10.206 -2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.975 -10.019 -4.749 1.00 0.00 H new ATOM 1240 N TRP A 77 77.934 -7.294 -1.279 1.00 0.00 N ATOM 1241 CA TRP A 77 79.147 -8.167 -1.358 1.00 0.00 C ATOM 1242 C TRP A 77 79.949 -7.910 -0.079 1.00 0.00 C ATOM 1243 O TRP A 77 79.459 -7.300 0.851 1.00 0.00 O ATOM 1244 CB TRP A 77 79.995 -7.804 -2.604 1.00 0.00 C ATOM 1245 CG TRP A 77 79.850 -8.823 -3.713 1.00 0.00 C ATOM 1246 CD1 TRP A 77 80.812 -9.036 -4.641 1.00 0.00 C ATOM 1247 CD2 TRP A 77 78.750 -9.754 -4.052 1.00 0.00 C ATOM 1248 NE1 TRP A 77 80.398 -10.019 -5.513 1.00 0.00 N ATOM 1249 CE2 TRP A 77 79.144 -10.493 -5.201 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.471 -10.044 -3.505 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 78.322 -11.462 -5.775 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.648 -11.021 -4.090 1.00 0.00 C ATOM 1253 CH2 TRP A 77 77.073 -11.727 -5.220 1.00 0.00 C ATOM 0 H TRP A 77 77.716 -6.968 -0.337 1.00 0.00 H new ATOM 0 HA TRP A 77 78.870 -9.217 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.694 -6.823 -2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 77 81.044 -7.729 -2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 77 81.757 -8.516 -4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 77 80.955 -10.356 -6.298 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.128 -9.509 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 78.653 -12.005 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 75.678 -11.229 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 77 76.433 -12.477 -5.661 1.00 0.00 H new ATOM 1264 N THR A 78 81.168 -8.364 -0.010 1.00 0.00 N ATOM 1265 CA THR A 78 81.971 -8.135 1.222 1.00 0.00 C ATOM 1266 C THR A 78 83.455 -8.034 0.852 1.00 0.00 C ATOM 1267 O THR A 78 83.827 -8.005 -0.304 1.00 0.00 O ATOM 1268 CB THR A 78 81.726 -9.324 2.190 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.673 -10.119 1.672 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.330 -8.849 3.597 1.00 0.00 C ATOM 0 H THR A 78 81.642 -8.882 -0.750 1.00 0.00 H new ATOM 0 HA THR A 78 81.676 -7.205 1.708 1.00 0.00 H new ATOM 0 HB THR A 78 82.654 -9.890 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.508 -10.875 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.168 -9.714 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 78 82.128 -8.232 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.412 -8.264 3.539 1.00 0.00 H new ATOM 1278 N LEU A 79 84.292 -7.995 1.842 1.00 0.00 N ATOM 1279 CA LEU A 79 85.756 -7.911 1.602 1.00 0.00 C ATOM 1280 C LEU A 79 86.167 -9.169 0.858 1.00 0.00 C ATOM 1281 O LEU A 79 86.688 -9.126 -0.235 1.00 0.00 O ATOM 1282 CB LEU A 79 86.492 -7.890 2.942 1.00 0.00 C ATOM 1283 CG LEU A 79 86.358 -6.531 3.645 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.890 -6.116 3.732 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.925 -6.649 5.066 1.00 0.00 C ATOM 0 H LEU A 79 84.021 -8.018 2.825 1.00 0.00 H new ATOM 0 HA LEU A 79 85.997 -7.011 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.095 -8.674 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.547 -8.114 2.781 1.00 0.00 H new ATOM 0 HG LEU A 79 86.906 -5.781 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.814 -5.151 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.474 -6.037 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.334 -6.863 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.835 -5.689 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.368 -7.406 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.975 -6.936 5.016 1.00 0.00 H new ATOM 1297 N ASP A 80 85.915 -10.296 1.464 1.00 0.00 N ATOM 1298 CA ASP A 80 86.260 -11.601 0.837 1.00 0.00 C ATOM 1299 C ASP A 80 85.885 -11.582 -0.634 1.00 0.00 C ATOM 1300 O ASP A 80 86.673 -11.912 -1.498 1.00 0.00 O ATOM 1301 CB ASP A 80 85.453 -12.690 1.526 1.00 0.00 C ATOM 1302 CG ASP A 80 85.861 -14.060 0.979 1.00 0.00 C ATOM 1303 OD1 ASP A 80 86.921 -14.534 1.355 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.108 -14.611 0.194 1.00 0.00 O ATOM 0 H ASP A 80 85.477 -10.368 2.382 1.00 0.00 H new ATOM 0 HA ASP A 80 87.330 -11.784 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.620 -12.653 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.388 -12.525 1.363 1.00 0.00 H new ATOM 1309 N LYS A 81 84.676 -11.205 -0.920 1.00 0.00 N ATOM 1310 CA LYS A 81 84.221 -11.167 -2.331 1.00 0.00 C ATOM 1311 C LYS A 81 85.276 -10.485 -3.192 1.00 0.00 C ATOM 1312 O LYS A 81 85.740 -11.025 -4.177 1.00 0.00 O ATOM 1313 CB LYS A 81 82.909 -10.390 -2.434 1.00 0.00 C ATOM 1314 CG LYS A 81 81.974 -10.797 -1.298 1.00 0.00 C ATOM 1315 CD LYS A 81 81.870 -12.322 -1.233 1.00 0.00 C ATOM 1316 CE LYS A 81 80.626 -12.731 -0.438 1.00 0.00 C ATOM 1317 NZ LYS A 81 79.428 -12.649 -1.321 1.00 0.00 N ATOM 0 H LYS A 81 83.979 -10.920 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 81 84.066 -12.188 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 81 83.106 -9.319 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.434 -10.586 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.347 -10.408 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.987 -10.362 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.819 -12.734 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 81 82.763 -12.736 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.742 -13.745 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.501 -12.078 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 78.590 -12.420 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 79.573 -11.907 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 79.284 -13.563 -1.796 1.00 0.00 H new ATOM 1331 N TYR A 82 85.656 -9.301 -2.822 1.00 0.00 N ATOM 1332 CA TYR A 82 86.686 -8.578 -3.621 1.00 0.00 C ATOM 1333 C TYR A 82 88.058 -9.215 -3.366 1.00 0.00 C ATOM 1334 O TYR A 82 88.849 -9.383 -4.273 1.00 0.00 O ATOM 1335 CB TYR A 82 86.700 -7.086 -3.219 1.00 0.00 C ATOM 1336 CG TYR A 82 85.827 -6.286 -4.162 1.00 0.00 C ATOM 1337 CD1 TYR A 82 86.396 -5.677 -5.288 1.00 0.00 C ATOM 1338 CD2 TYR A 82 84.455 -6.158 -3.915 1.00 0.00 C ATOM 1339 CE1 TYR A 82 85.593 -4.941 -6.166 1.00 0.00 C ATOM 1340 CE2 TYR A 82 83.652 -5.421 -4.794 1.00 0.00 C ATOM 1341 CZ TYR A 82 84.222 -4.813 -5.920 1.00 0.00 C ATOM 1342 OH TYR A 82 83.431 -4.090 -6.787 1.00 0.00 O ATOM 0 H TYR A 82 85.303 -8.801 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 82 86.452 -8.650 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 86.342 -6.974 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.721 -6.704 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 82 87.455 -5.776 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.016 -6.627 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 82 86.032 -4.472 -7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 82 82.594 -5.321 -4.604 1.00 0.00 H new ATOM 0 HH TYR A 82 82.646 -4.622 -7.035 1.00 0.00 H new ATOM 1352 N GLY A 83 88.345 -9.561 -2.136 1.00 0.00 N ATOM 1353 CA GLY A 83 89.667 -10.181 -1.800 1.00 0.00 C ATOM 1354 C GLY A 83 90.431 -9.213 -0.907 1.00 0.00 C ATOM 1355 O GLY A 83 91.596 -9.397 -0.613 1.00 0.00 O ATOM 0 H GLY A 83 87.716 -9.440 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.522 -11.134 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.232 -10.387 -2.709 1.00 0.00 H new ATOM 1359 N ILE A 84 89.770 -8.179 -0.473 1.00 0.00 N ATOM 1360 CA ILE A 84 90.427 -7.179 0.405 1.00 0.00 C ATOM 1361 C ILE A 84 90.882 -7.864 1.690 1.00 0.00 C ATOM 1362 O ILE A 84 90.377 -8.903 2.067 1.00 0.00 O ATOM 1363 CB ILE A 84 89.414 -6.072 0.723 1.00 0.00 C ATOM 1364 CG1 ILE A 84 89.021 -5.359 -0.574 1.00 0.00 C ATOM 1365 CG2 ILE A 84 90.023 -5.044 1.682 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.685 -4.643 -0.381 1.00 0.00 C ATOM 0 H ILE A 84 88.793 -7.983 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 84 91.296 -6.746 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 84 88.540 -6.525 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.792 -4.642 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.945 -6.080 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.289 -4.267 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.310 -5.538 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.904 -4.595 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.407 -4.136 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.916 -5.371 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.777 -3.911 0.421 1.00 0.00 H new ATOM 1378 N GLN A 85 91.832 -7.288 2.361 1.00 0.00 N ATOM 1379 CA GLN A 85 92.334 -7.893 3.623 1.00 0.00 C ATOM 1380 C GLN A 85 93.140 -6.841 4.393 1.00 0.00 C ATOM 1381 O GLN A 85 93.086 -5.664 4.100 1.00 0.00 O ATOM 1382 CB GLN A 85 93.232 -9.103 3.286 1.00 0.00 C ATOM 1383 CG GLN A 85 93.128 -10.181 4.389 1.00 0.00 C ATOM 1384 CD GLN A 85 91.978 -11.137 4.076 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.115 -12.338 4.196 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.845 -10.644 3.677 1.00 0.00 N ATOM 0 H GLN A 85 92.288 -6.417 2.089 1.00 0.00 H new ATOM 0 HA GLN A 85 91.498 -8.229 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.936 -9.527 2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.267 -8.777 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.064 -10.735 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.966 -9.708 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.735 -9.635 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.065 -11.266 3.463 1.00 0.00 H new ATOM 1395 N ALA A 86 93.887 -7.264 5.371 1.00 0.00 N ATOM 1396 CA ALA A 86 94.701 -6.306 6.169 1.00 0.00 C ATOM 1397 C ALA A 86 95.843 -5.752 5.316 1.00 0.00 C ATOM 1398 O ALA A 86 96.353 -4.679 5.567 1.00 0.00 O ATOM 1399 CB ALA A 86 95.286 -7.045 7.371 1.00 0.00 C ATOM 0 H ALA A 86 93.970 -8.240 5.655 1.00 0.00 H new ATOM 0 HA ALA A 86 94.071 -5.480 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.885 -6.356 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.476 -7.443 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.914 -7.865 7.023 1.00 0.00 H new ATOM 1405 N ASP A 87 96.253 -6.476 4.317 1.00 0.00 N ATOM 1406 CA ASP A 87 97.364 -5.989 3.461 1.00 0.00 C ATOM 1407 C ASP A 87 96.816 -4.952 2.490 1.00 0.00 C ATOM 1408 O ASP A 87 97.547 -4.297 1.774 1.00 0.00 O ATOM 1409 CB ASP A 87 97.951 -7.162 2.679 1.00 0.00 C ATOM 1410 CG ASP A 87 96.823 -7.941 2.001 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.920 -9.156 1.943 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.881 -7.310 1.552 1.00 0.00 O ATOM 0 H ASP A 87 95.867 -7.383 4.056 1.00 0.00 H new ATOM 0 HA ASP A 87 98.143 -5.542 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.656 -6.798 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.508 -7.817 3.349 1.00 0.00 H new ATOM 1417 N ALA A 88 95.522 -4.807 2.466 1.00 0.00 N ATOM 1418 CA ALA A 88 94.879 -3.826 1.555 1.00 0.00 C ATOM 1419 C ALA A 88 94.541 -2.561 2.342 1.00 0.00 C ATOM 1420 O ALA A 88 93.710 -2.582 3.226 1.00 0.00 O ATOM 1421 CB ALA A 88 93.595 -4.456 1.032 1.00 0.00 C ATOM 0 H ALA A 88 94.874 -5.336 3.049 1.00 0.00 H new ATOM 0 HA ALA A 88 95.543 -3.567 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.096 -3.760 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.833 -5.374 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.935 -4.686 1.869 1.00 0.00 H new ATOM 1427 N LYS A 89 95.176 -1.458 2.041 1.00 0.00 N ATOM 1428 CA LYS A 89 94.878 -0.199 2.790 1.00 0.00 C ATOM 1429 C LYS A 89 93.823 0.612 2.048 1.00 0.00 C ATOM 1430 O LYS A 89 94.037 1.097 0.955 1.00 0.00 O ATOM 1431 CB LYS A 89 96.147 0.652 2.950 1.00 0.00 C ATOM 1432 CG LYS A 89 97.368 -0.235 3.214 1.00 0.00 C ATOM 1433 CD LYS A 89 97.268 -0.897 4.594 1.00 0.00 C ATOM 1434 CE LYS A 89 98.243 -2.070 4.660 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.618 -1.594 4.340 1.00 0.00 N ATOM 0 H LYS A 89 95.885 -1.374 1.313 1.00 0.00 H new ATOM 0 HA LYS A 89 94.506 -0.472 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.310 1.243 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.018 1.355 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.441 -1.001 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.278 0.363 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.498 -0.173 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.250 -1.244 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.224 -2.517 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.943 -2.846 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.314 -2.284 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.718 -1.490 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.783 -0.675 4.798 1.00 0.00 H new ATOM 1449 N LEU A 90 92.695 0.779 2.666 1.00 0.00 N ATOM 1450 CA LEU A 90 91.598 1.582 2.055 1.00 0.00 C ATOM 1451 C LEU A 90 91.761 3.023 2.519 1.00 0.00 C ATOM 1452 O LEU A 90 92.644 3.328 3.291 1.00 0.00 O ATOM 1453 CB LEU A 90 90.236 1.036 2.486 1.00 0.00 C ATOM 1454 CG LEU A 90 90.252 -0.489 2.418 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.839 -1.022 2.657 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.747 -0.948 1.039 1.00 0.00 C ATOM 0 H LEU A 90 92.479 0.389 3.583 1.00 0.00 H new ATOM 0 HA LEU A 90 91.650 1.527 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.006 1.363 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.453 1.431 1.839 1.00 0.00 H new ATOM 0 HG LEU A 90 90.925 -0.875 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.848 -2.111 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.492 -0.705 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.168 -0.631 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.755 -2.037 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.082 -0.562 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.756 -0.571 0.871 1.00 0.00 H new ATOM 1468 N GLN A 91 90.939 3.920 2.047 1.00 0.00 N ATOM 1469 CA GLN A 91 91.062 5.353 2.471 1.00 0.00 C ATOM 1470 C GLN A 91 89.667 5.862 2.768 1.00 0.00 C ATOM 1471 O GLN A 91 88.709 5.190 2.500 1.00 0.00 O ATOM 1472 CB GLN A 91 91.668 6.219 1.355 1.00 0.00 C ATOM 1473 CG GLN A 91 92.939 5.574 0.775 1.00 0.00 C ATOM 1474 CD GLN A 91 93.190 6.112 -0.624 1.00 0.00 C ATOM 1475 OE1 GLN A 91 93.996 5.583 -1.360 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.527 7.152 -1.022 1.00 0.00 N ATOM 0 H GLN A 91 90.186 3.727 1.386 1.00 0.00 H new ATOM 0 HA GLN A 91 91.715 5.413 3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 91 90.934 6.359 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 91 91.906 7.208 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 91 93.793 5.789 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 91 92.828 4.490 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 91 91.850 7.594 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.682 7.529 -1.957 1.00 0.00 H new ATOM 1485 N PHE A 92 89.543 7.040 3.313 1.00 0.00 N ATOM 1486 CA PHE A 92 88.188 7.600 3.607 1.00 0.00 C ATOM 1487 C PHE A 92 88.222 9.091 3.299 1.00 0.00 C ATOM 1488 O PHE A 92 88.705 9.891 4.075 1.00 0.00 O ATOM 1489 CB PHE A 92 87.833 7.341 5.072 1.00 0.00 C ATOM 1490 CG PHE A 92 86.378 7.674 5.331 1.00 0.00 C ATOM 1491 CD1 PHE A 92 85.366 6.958 4.674 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.037 8.688 6.237 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.021 7.256 4.923 1.00 0.00 C ATOM 1494 CE2 PHE A 92 84.691 8.984 6.483 1.00 0.00 C ATOM 1495 CZ PHE A 92 83.684 8.269 5.828 1.00 0.00 C ATOM 0 H PHE A 92 90.324 7.644 3.570 1.00 0.00 H new ATOM 0 HA PHE A 92 87.424 7.122 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.023 6.297 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 92 88.471 7.943 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.625 6.176 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 92 86.813 9.241 6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.243 6.704 4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.430 9.766 7.180 1.00 0.00 H new ATOM 0 HZ PHE A 92 82.646 8.498 6.020 1.00 0.00 H new ATOM 1505 N THR A 93 87.760 9.458 2.133 1.00 0.00 N ATOM 1506 CA THR A 93 87.817 10.892 1.730 1.00 0.00 C ATOM 1507 C THR A 93 86.829 11.179 0.581 1.00 0.00 C ATOM 1508 O THR A 93 86.548 10.312 -0.223 1.00 0.00 O ATOM 1509 CB THR A 93 89.243 11.147 1.242 1.00 0.00 C ATOM 1510 OG1 THR A 93 89.343 12.443 0.673 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.609 10.095 0.188 1.00 0.00 C ATOM 0 H THR A 93 87.347 8.828 1.445 1.00 0.00 H new ATOM 0 HA THR A 93 87.549 11.535 2.568 1.00 0.00 H new ATOM 0 HB THR A 93 89.928 11.081 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 93 90.275 12.745 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.625 10.271 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.545 9.100 0.629 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.917 10.165 -0.651 1.00 0.00 H new ATOM 1519 N PRO A 94 86.327 12.398 0.480 1.00 0.00 N ATOM 1520 CA PRO A 94 85.390 12.798 -0.611 1.00 0.00 C ATOM 1521 C PRO A 94 85.715 12.110 -1.942 1.00 0.00 C ATOM 1522 O PRO A 94 86.839 12.242 -2.395 1.00 0.00 O ATOM 1523 CB PRO A 94 85.618 14.305 -0.706 1.00 0.00 C ATOM 1524 CG PRO A 94 85.899 14.730 0.703 1.00 0.00 C ATOM 1525 CD PRO A 94 86.585 13.533 1.392 1.00 0.00 C ATOM 0 HA PRO A 94 84.358 12.516 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 94 86.453 14.539 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 94 84.742 14.815 -1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 94 86.542 15.610 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 94 84.977 14.998 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.653 13.706 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 94 86.169 13.351 2.383 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 50.981 41.017 11.331 1.00 0.00 N ATOM 1535 CA TYR B 541 49.823 40.836 12.252 1.00 0.00 C ATOM 1536 C TYR B 541 48.626 40.300 11.464 1.00 0.00 C ATOM 1537 O TYR B 541 47.589 39.997 12.021 1.00 0.00 O ATOM 1538 CB TYR B 541 49.463 42.180 12.887 1.00 0.00 C ATOM 1539 CG TYR B 541 50.540 42.575 13.869 1.00 0.00 C ATOM 1540 CD1 TYR B 541 50.534 42.045 15.164 1.00 0.00 C ATOM 1541 CD2 TYR B 541 51.547 43.468 13.483 1.00 0.00 C ATOM 1542 CE1 TYR B 541 51.533 42.409 16.075 1.00 0.00 C ATOM 1543 CE2 TYR B 541 52.547 43.832 14.394 1.00 0.00 C ATOM 1544 CZ TYR B 541 52.540 43.302 15.690 1.00 0.00 C ATOM 1545 OH TYR B 541 53.526 43.659 16.587 1.00 0.00 O ATOM 0 HA TYR B 541 50.086 40.126 13.036 1.00 0.00 H new ATOM 0 HB2 TYR B 541 49.361 42.943 12.116 1.00 0.00 H new ATOM 0 HB3 TYR B 541 48.501 42.109 13.394 1.00 0.00 H new ATOM 0 HD1 TYR B 541 49.758 41.355 15.461 1.00 0.00 H new ATOM 0 HD2 TYR B 541 51.553 43.876 12.483 1.00 0.00 H new ATOM 0 HE1 TYR B 541 51.527 42.001 17.075 1.00 0.00 H new ATOM 0 HE2 TYR B 541 53.323 44.521 14.097 1.00 0.00 H new ATOM 0 HH TYR B 541 54.147 44.285 16.159 1.00 0.00 H new ATOM 1555 N HIS B 542 48.769 40.181 10.166 1.00 0.00 N ATOM 1556 CA HIS B 542 47.661 39.665 9.308 1.00 0.00 C ATOM 1557 C HIS B 542 48.182 38.447 8.534 1.00 0.00 C ATOM 1558 O HIS B 542 47.596 37.384 8.558 1.00 0.00 O ATOM 1559 CB HIS B 542 47.241 40.779 8.329 1.00 0.00 C ATOM 1560 CG HIS B 542 46.076 41.554 8.893 1.00 0.00 C ATOM 1561 ND1 HIS B 542 46.054 42.006 10.204 1.00 0.00 N ATOM 1562 CD2 HIS B 542 44.887 41.957 8.338 1.00 0.00 C ATOM 1563 CE1 HIS B 542 44.887 42.647 10.392 1.00 0.00 C ATOM 1564 NE2 HIS B 542 44.137 42.647 9.286 1.00 0.00 N ATOM 0 H HIS B 542 49.620 40.424 9.659 1.00 0.00 H new ATOM 0 HA HIS B 542 46.800 39.373 9.909 1.00 0.00 H new ATOM 0 HB2 HIS B 542 48.081 41.450 8.148 1.00 0.00 H new ATOM 0 HB3 HIS B 542 46.967 40.345 7.368 1.00 0.00 H new ATOM 0 HD2 HIS B 542 44.580 41.767 7.320 1.00 0.00 H new ATOM 0 HE1 HIS B 542 44.592 43.106 11.324 1.00 0.00 H new ATOM 0 HE2 HIS B 542 43.214 43.063 9.163 1.00 0.00 H new ATOM 1572 N GLU B 543 49.285 38.600 7.859 1.00 0.00 N ATOM 1573 CA GLU B 543 49.863 37.460 7.093 1.00 0.00 C ATOM 1574 C GLU B 543 50.535 36.495 8.073 1.00 0.00 C ATOM 1575 O GLU B 543 51.210 35.565 7.678 1.00 0.00 O ATOM 1576 CB GLU B 543 50.919 37.996 6.126 1.00 0.00 C ATOM 1577 CG GLU B 543 51.813 39.002 6.867 1.00 0.00 C ATOM 1578 CD GLU B 543 53.164 39.120 6.156 1.00 0.00 C ATOM 1579 OE1 GLU B 543 53.201 38.902 4.956 1.00 0.00 O ATOM 1580 OE2 GLU B 543 54.138 39.425 6.824 1.00 0.00 O ATOM 0 H GLU B 543 49.815 39.470 7.804 1.00 0.00 H new ATOM 0 HA GLU B 543 49.077 36.946 6.540 1.00 0.00 H new ATOM 0 HB2 GLU B 543 51.520 37.176 5.733 1.00 0.00 H new ATOM 0 HB3 GLU B 543 50.439 38.476 5.273 1.00 0.00 H new ATOM 0 HG2 GLU B 543 51.326 39.976 6.905 1.00 0.00 H new ATOM 0 HG3 GLU B 543 51.961 38.680 7.898 1.00 0.00 H new ATOM 1587 N ARG B 544 50.322 36.704 9.346 1.00 0.00 N ATOM 1588 CA ARG B 544 50.900 35.824 10.389 1.00 0.00 C ATOM 1589 C ARG B 544 52.315 35.362 10.018 1.00 0.00 C ATOM 1590 O ARG B 544 52.963 35.940 9.167 1.00 0.00 O ATOM 1591 CB ARG B 544 49.960 34.651 10.534 1.00 0.00 C ATOM 1592 CG ARG B 544 48.591 35.187 10.973 1.00 0.00 C ATOM 1593 CD ARG B 544 48.657 35.746 12.411 1.00 0.00 C ATOM 1594 NE ARG B 544 47.447 35.316 13.185 1.00 0.00 N ATOM 1595 CZ ARG B 544 46.244 35.410 12.678 1.00 0.00 C ATOM 1596 NH1 ARG B 544 45.222 34.945 13.345 1.00 0.00 N ATOM 1597 NH2 ARG B 544 46.052 35.999 11.531 1.00 0.00 N ATOM 0 H ARG B 544 49.755 37.470 9.709 1.00 0.00 H new ATOM 0 HA ARG B 544 51.000 36.361 11.332 1.00 0.00 H new ATOM 0 HB2 ARG B 544 49.873 34.114 9.589 1.00 0.00 H new ATOM 0 HB3 ARG B 544 50.345 33.944 11.269 1.00 0.00 H new ATOM 0 HG2 ARG B 544 48.265 35.970 10.288 1.00 0.00 H new ATOM 0 HG3 ARG B 544 47.850 34.390 10.922 1.00 0.00 H new ATOM 0 HD2 ARG B 544 49.561 35.391 12.907 1.00 0.00 H new ATOM 0 HD3 ARG B 544 48.714 36.834 12.385 1.00 0.00 H new ATOM 0 HE ARG B 544 47.564 34.942 14.127 1.00 0.00 H new ATOM 0 HH11 ARG B 544 45.363 34.511 14.257 1.00 0.00 H new ATOM 0 HH12 ARG B 544 44.283 35.016 12.954 1.00 0.00 H new ATOM 0 HH21 ARG B 544 46.843 36.392 11.021 1.00 0.00 H new ATOM 0 HH22 ARG B 544 45.111 36.067 11.144 1.00 0.00 H new ATOM 1611 N ARG B 545 52.810 34.342 10.678 1.00 0.00 N ATOM 1612 CA ARG B 545 54.191 33.846 10.403 1.00 0.00 C ATOM 1613 C ARG B 545 54.130 32.473 9.721 1.00 0.00 C ATOM 1614 O ARG B 545 53.101 32.061 9.223 1.00 0.00 O ATOM 1615 CB ARG B 545 54.930 33.725 11.741 1.00 0.00 C ATOM 1616 CG ARG B 545 53.995 33.122 12.819 1.00 0.00 C ATOM 1617 CD ARG B 545 53.329 34.232 13.645 1.00 0.00 C ATOM 1618 NE ARG B 545 52.560 33.618 14.764 1.00 0.00 N ATOM 1619 CZ ARG B 545 52.162 34.354 15.765 1.00 0.00 C ATOM 1620 NH1 ARG B 545 51.491 33.814 16.747 1.00 0.00 N ATOM 1621 NH2 ARG B 545 52.436 35.629 15.786 1.00 0.00 N ATOM 0 H ARG B 545 52.309 33.828 11.403 1.00 0.00 H new ATOM 0 HA ARG B 545 54.712 34.539 9.742 1.00 0.00 H new ATOM 0 HB2 ARG B 545 55.812 33.096 11.622 1.00 0.00 H new ATOM 0 HB3 ARG B 545 55.280 34.706 12.061 1.00 0.00 H new ATOM 0 HG2 ARG B 545 53.230 32.509 12.342 1.00 0.00 H new ATOM 0 HG3 ARG B 545 54.566 32.466 13.476 1.00 0.00 H new ATOM 0 HD2 ARG B 545 54.085 34.912 14.038 1.00 0.00 H new ATOM 0 HD3 ARG B 545 52.666 34.823 13.014 1.00 0.00 H new ATOM 0 HE ARG B 545 52.345 32.621 14.747 1.00 0.00 H new ATOM 0 HH11 ARG B 545 51.278 32.817 16.731 1.00 0.00 H new ATOM 0 HH12 ARG B 545 51.180 34.390 17.529 1.00 0.00 H new ATOM 0 HH21 ARG B 545 52.961 36.050 15.020 1.00 0.00 H new ATOM 0 HH22 ARG B 545 52.125 36.205 16.568 1.00 0.00 H new ATOM 1635 N GLY B 546 55.232 31.766 9.693 1.00 0.00 N ATOM 1636 CA GLY B 546 55.256 30.419 9.043 1.00 0.00 C ATOM 1637 C GLY B 546 54.930 29.338 10.076 1.00 0.00 C ATOM 1638 O GLY B 546 53.781 29.042 10.341 1.00 0.00 O ATOM 0 H GLY B 546 56.121 32.065 10.094 1.00 0.00 H new ATOM 0 HA2 GLY B 546 54.533 30.386 8.228 1.00 0.00 H new ATOM 0 HA3 GLY B 546 56.237 30.233 8.606 1.00 0.00 H new ATOM 1642 N SER B 547 55.936 28.746 10.661 1.00 0.00 N ATOM 1643 CA SER B 547 55.697 27.685 11.678 1.00 0.00 C ATOM 1644 C SER B 547 56.935 27.596 12.563 1.00 0.00 C ATOM 1645 O SER B 547 58.007 27.291 12.102 1.00 0.00 O ATOM 1646 CB SER B 547 55.459 26.343 10.978 1.00 0.00 C ATOM 1647 OG SER B 547 54.080 26.225 10.649 1.00 0.00 O ATOM 0 H SER B 547 56.917 28.954 10.476 1.00 0.00 H new ATOM 0 HA SER B 547 54.819 27.923 12.279 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.067 26.277 10.076 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.762 25.522 11.628 1.00 0.00 H new ATOM 0 HG SER B 547 53.698 27.118 10.516 1.00 0.00 H new ATOM 1653 N LEU B 548 56.804 27.882 13.821 1.00 0.00 N ATOM 1654 CA LEU B 548 57.988 27.834 14.713 1.00 0.00 C ATOM 1655 C LEU B 548 58.560 26.421 14.762 1.00 0.00 C ATOM 1656 O LEU B 548 57.840 25.461 14.905 1.00 0.00 O ATOM 1657 CB LEU B 548 57.569 28.286 16.131 1.00 0.00 C ATOM 1658 CG LEU B 548 57.962 29.757 16.359 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.093 30.672 15.493 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.777 30.126 17.828 1.00 0.00 C ATOM 0 H LEU B 548 55.928 28.147 14.272 1.00 0.00 H new ATOM 0 HA LEU B 548 58.758 28.502 14.327 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.493 28.166 16.255 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.049 27.654 16.878 1.00 0.00 H new ATOM 0 HG LEU B 548 59.009 29.885 16.083 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.378 31.711 15.661 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.236 30.422 14.442 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.045 30.536 15.759 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.058 31.168 17.979 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.733 29.987 18.110 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.408 29.487 18.446 1.00 0.00 H new ATOM 1672 N CYS B 549 59.862 26.296 14.689 1.00 0.00 N ATOM 1673 CA CYS B 549 60.477 24.949 14.771 1.00 0.00 C ATOM 1674 C CYS B 549 60.595 24.636 16.253 1.00 0.00 C ATOM 1675 O CYS B 549 61.430 25.168 16.955 1.00 0.00 O ATOM 1676 CB CYS B 549 61.868 25.002 14.114 1.00 0.00 C ATOM 1677 SG CYS B 549 62.956 23.687 14.749 1.00 0.00 S ATOM 0 H CYS B 549 60.518 27.069 14.577 1.00 0.00 H new ATOM 0 HA CYS B 549 59.890 24.186 14.260 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.765 24.901 13.034 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.323 25.975 14.301 1.00 0.00 H new ATOM 1682 N SER B 550 59.726 23.799 16.736 1.00 0.00 N ATOM 1683 CA SER B 550 59.734 23.469 18.183 1.00 0.00 C ATOM 1684 C SER B 550 61.132 23.068 18.606 1.00 0.00 C ATOM 1685 O SER B 550 61.777 22.234 18.002 1.00 0.00 O ATOM 1686 CB SER B 550 58.724 22.367 18.486 1.00 0.00 C ATOM 1687 OG SER B 550 58.935 21.886 19.807 1.00 0.00 O ATOM 0 H SER B 550 59.007 23.327 16.188 1.00 0.00 H new ATOM 0 HA SER B 550 59.440 24.349 18.755 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.709 22.750 18.384 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.831 21.553 17.769 1.00 0.00 H new ATOM 0 HG SER B 550 58.083 21.876 20.291 1.00 0.00 H new ATOM 1693 N GLY B 551 61.614 23.714 19.624 1.00 0.00 N ATOM 1694 CA GLY B 551 62.998 23.466 20.116 1.00 0.00 C ATOM 1695 C GLY B 551 63.800 24.703 19.762 1.00 0.00 C ATOM 1696 O GLY B 551 64.672 25.140 20.486 1.00 0.00 O ATOM 0 H GLY B 551 61.098 24.420 20.149 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.004 23.293 21.192 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.424 22.578 19.648 1.00 0.00 H new ATOM 1700 N CYS B 552 63.468 25.284 18.646 1.00 0.00 N ATOM 1701 CA CYS B 552 64.137 26.521 18.190 1.00 0.00 C ATOM 1702 C CYS B 552 63.161 27.671 18.411 1.00 0.00 C ATOM 1703 O CYS B 552 63.534 28.783 18.727 1.00 0.00 O ATOM 1704 CB CYS B 552 64.409 26.390 16.692 1.00 0.00 C ATOM 1705 SG CYS B 552 65.964 25.515 16.415 1.00 0.00 S ATOM 0 H CYS B 552 62.741 24.940 18.018 1.00 0.00 H new ATOM 0 HA CYS B 552 65.070 26.692 18.727 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.591 25.853 16.212 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.453 27.379 16.235 1.00 0.00 H new ATOM 1710 N GLN B 553 61.907 27.388 18.219 1.00 0.00 N ATOM 1711 CA GLN B 553 60.855 28.417 18.369 1.00 0.00 C ATOM 1712 C GLN B 553 61.164 29.608 17.484 1.00 0.00 C ATOM 1713 O GLN B 553 61.220 30.744 17.908 1.00 0.00 O ATOM 1714 CB GLN B 553 60.698 28.831 19.818 1.00 0.00 C ATOM 1715 CG GLN B 553 60.175 27.630 20.604 1.00 0.00 C ATOM 1716 CD GLN B 553 58.748 27.277 20.175 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.789 27.696 20.791 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.578 26.516 19.129 1.00 0.00 N ATOM 0 H GLN B 553 61.562 26.464 17.958 1.00 0.00 H new ATOM 0 HA GLN B 553 59.903 27.991 18.051 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.653 29.164 20.224 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.007 29.670 19.901 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.830 26.773 20.445 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.194 27.852 21.671 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.387 26.167 18.615 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.636 26.270 18.825 1.00 0.00 H new ATOM 1727 N LYS B 554 61.311 29.319 16.232 1.00 0.00 N ATOM 1728 CA LYS B 554 61.569 30.364 15.196 1.00 0.00 C ATOM 1729 C LYS B 554 60.761 29.964 13.943 1.00 0.00 C ATOM 1730 O LYS B 554 60.901 28.853 13.472 1.00 0.00 O ATOM 1731 CB LYS B 554 63.056 30.404 14.837 1.00 0.00 C ATOM 1732 CG LYS B 554 63.891 30.825 16.053 1.00 0.00 C ATOM 1733 CD LYS B 554 63.593 32.286 16.429 1.00 0.00 C ATOM 1734 CE LYS B 554 64.768 32.869 17.222 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.952 32.093 18.481 1.00 0.00 N ATOM 0 H LYS B 554 61.263 28.370 15.862 1.00 0.00 H new ATOM 0 HA LYS B 554 61.279 31.347 15.568 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.379 29.423 14.489 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.219 31.103 14.017 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.669 30.173 16.898 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.952 30.709 15.831 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.423 32.875 15.528 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.680 32.339 17.022 1.00 0.00 H new ATOM 0 HE2 LYS B 554 65.678 32.832 16.623 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.580 33.918 17.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.578 32.618 19.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 64.029 31.948 18.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 65.378 31.170 18.261 1.00 0.00 H new ATOM 1749 N PRO B 555 59.906 30.810 13.403 1.00 0.00 N ATOM 1750 CA PRO B 555 59.096 30.420 12.211 1.00 0.00 C ATOM 1751 C PRO B 555 59.870 29.689 11.116 1.00 0.00 C ATOM 1752 O PRO B 555 60.974 30.042 10.752 1.00 0.00 O ATOM 1753 CB PRO B 555 58.592 31.771 11.712 1.00 0.00 C ATOM 1754 CG PRO B 555 58.646 32.743 12.900 1.00 0.00 C ATOM 1755 CD PRO B 555 59.659 32.185 13.920 1.00 0.00 C ATOM 0 HA PRO B 555 58.321 29.700 12.476 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.210 32.133 10.891 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.574 31.685 11.331 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.947 33.736 12.567 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.661 32.844 13.356 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.573 32.778 13.951 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.253 32.172 14.931 1.00 0.00 H new ATOM 1763 N ILE B 556 59.253 28.673 10.587 1.00 0.00 N ATOM 1764 CA ILE B 556 59.861 27.874 9.498 1.00 0.00 C ATOM 1765 C ILE B 556 59.315 28.400 8.169 1.00 0.00 C ATOM 1766 O ILE B 556 58.210 28.083 7.775 1.00 0.00 O ATOM 1767 CB ILE B 556 59.436 26.422 9.694 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.091 25.851 10.974 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.869 25.602 8.486 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.262 24.673 11.529 1.00 0.00 C ATOM 0 H ILE B 556 58.327 28.357 10.874 1.00 0.00 H new ATOM 0 HA ILE B 556 60.949 27.945 9.503 1.00 0.00 H new ATOM 0 HB ILE B 556 58.352 26.373 9.798 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.105 25.517 10.752 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.171 26.634 11.728 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.566 24.564 8.624 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.398 26.001 7.588 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.953 25.653 8.381 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.739 24.285 12.429 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.257 25.018 11.771 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.205 23.884 10.780 1.00 0.00 H new ATOM 1782 N THR B 557 60.063 29.235 7.493 1.00 0.00 N ATOM 1783 CA THR B 557 59.570 29.825 6.208 1.00 0.00 C ATOM 1784 C THR B 557 60.155 29.093 4.998 1.00 0.00 C ATOM 1785 O THR B 557 61.227 29.404 4.518 1.00 0.00 O ATOM 1786 CB THR B 557 59.970 31.296 6.173 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.385 31.405 6.252 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.328 32.003 7.367 1.00 0.00 C ATOM 0 H THR B 557 60.996 29.535 7.775 1.00 0.00 H new ATOM 0 HA THR B 557 58.486 29.722 6.158 1.00 0.00 H new ATOM 0 HB THR B 557 59.632 31.756 5.244 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.798 30.714 5.693 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.604 33.057 7.357 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.244 31.911 7.304 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.678 31.545 8.292 1.00 0.00 H new ATOM 1796 N GLY B 558 59.438 28.123 4.507 1.00 0.00 N ATOM 1797 CA GLY B 558 59.894 27.341 3.327 1.00 0.00 C ATOM 1798 C GLY B 558 59.254 25.963 3.419 1.00 0.00 C ATOM 1799 O GLY B 558 58.118 25.762 3.035 1.00 0.00 O ATOM 0 H GLY B 558 58.535 27.834 4.883 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.603 27.838 2.402 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.981 27.260 3.317 1.00 0.00 H new ATOM 1803 N ARG B 559 59.969 25.025 3.966 1.00 0.00 N ATOM 1804 CA ARG B 559 59.436 23.649 4.152 1.00 0.00 C ATOM 1805 C ARG B 559 59.329 23.412 5.649 1.00 0.00 C ATOM 1806 O ARG B 559 60.060 23.998 6.422 1.00 0.00 O ATOM 1807 CB ARG B 559 60.415 22.640 3.532 1.00 0.00 C ATOM 1808 CG ARG B 559 60.103 22.461 2.038 1.00 0.00 C ATOM 1809 CD ARG B 559 59.006 21.403 1.849 1.00 0.00 C ATOM 1810 NE ARG B 559 58.347 21.600 0.528 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.599 20.656 0.025 1.00 0.00 C ATOM 1812 NH1 ARG B 559 57.017 20.830 -1.130 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.433 19.538 0.678 1.00 0.00 N ATOM 0 H ARG B 559 60.924 25.157 4.300 1.00 0.00 H new ATOM 0 HA ARG B 559 58.464 23.531 3.672 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.440 22.989 3.659 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.338 21.682 4.046 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.781 23.410 1.610 1.00 0.00 H new ATOM 0 HG3 ARG B 559 61.004 22.160 1.504 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.436 20.403 1.907 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.270 21.480 2.649 1.00 0.00 H new ATOM 0 HE ARG B 559 58.480 22.472 0.017 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.147 21.704 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.433 20.092 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.888 19.402 1.581 1.00 0.00 H new ATOM 0 HH22 ARG B 559 56.849 18.800 0.285 1.00 0.00 H new ATOM 1827 N CYS B 560 58.432 22.571 6.080 1.00 0.00 N ATOM 1828 CA CYS B 560 58.311 22.324 7.545 1.00 0.00 C ATOM 1829 C CYS B 560 57.957 20.880 7.831 1.00 0.00 C ATOM 1830 O CYS B 560 56.982 20.343 7.344 1.00 0.00 O ATOM 1831 CB CYS B 560 57.247 23.239 8.148 1.00 0.00 C ATOM 1832 SG CYS B 560 55.673 22.988 7.289 1.00 0.00 S ATOM 0 H CYS B 560 57.784 22.049 5.490 1.00 0.00 H new ATOM 0 HA CYS B 560 59.278 22.539 8.000 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.131 23.027 9.211 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.558 24.280 8.063 1.00 0.00 H new ATOM 0 HG CYS B 560 55.572 21.745 6.923 1.00 0.00 H new ATOM 1838 N ILE B 561 58.748 20.261 8.655 1.00 0.00 N ATOM 1839 CA ILE B 561 58.493 18.861 9.040 1.00 0.00 C ATOM 1840 C ILE B 561 57.627 18.879 10.273 1.00 0.00 C ATOM 1841 O ILE B 561 57.730 19.752 11.109 1.00 0.00 O ATOM 1842 CB ILE B 561 59.821 18.191 9.358 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.629 18.176 8.075 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.614 16.750 9.855 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.948 17.452 8.307 1.00 0.00 C ATOM 0 H ILE B 561 59.574 20.679 9.083 1.00 0.00 H new ATOM 0 HA ILE B 561 57.999 18.315 8.237 1.00 0.00 H new ATOM 0 HB ILE B 561 60.334 18.738 10.149 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.065 17.680 7.285 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.817 19.196 7.741 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.581 16.298 10.074 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.006 16.761 10.759 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.108 16.168 9.084 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.526 17.443 7.383 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.514 17.966 9.084 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.750 16.427 8.621 1.00 0.00 H new ATOM 1857 N THR B 562 56.778 17.912 10.382 1.00 0.00 N ATOM 1858 CA THR B 562 55.868 17.819 11.559 1.00 0.00 C ATOM 1859 C THR B 562 56.152 16.533 12.302 1.00 0.00 C ATOM 1860 O THR B 562 56.527 15.529 11.728 1.00 0.00 O ATOM 1861 CB THR B 562 54.401 17.844 11.131 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.200 18.875 10.174 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.528 18.102 12.365 1.00 0.00 C ATOM 0 H THR B 562 56.668 17.164 9.697 1.00 0.00 H new ATOM 0 HA THR B 562 56.048 18.679 12.204 1.00 0.00 H new ATOM 0 HB THR B 562 54.130 16.888 10.683 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.259 18.888 9.900 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.479 18.122 12.071 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.685 17.308 13.095 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.799 19.060 12.808 1.00 0.00 H new ATOM 1871 N ALA B 563 55.999 16.577 13.587 1.00 0.00 N ATOM 1872 CA ALA B 563 56.272 15.398 14.441 1.00 0.00 C ATOM 1873 C ALA B 563 55.031 15.067 15.258 1.00 0.00 C ATOM 1874 O ALA B 563 53.939 14.944 14.737 1.00 0.00 O ATOM 1875 CB ALA B 563 57.432 15.740 15.363 1.00 0.00 C ATOM 0 H ALA B 563 55.687 17.404 14.096 1.00 0.00 H new ATOM 0 HA ALA B 563 56.527 14.532 13.830 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.652 14.886 16.003 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.311 15.983 14.767 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.165 16.597 15.981 1.00 0.00 H new ATOM 1881 N MET B 564 55.196 14.924 16.536 1.00 0.00 N ATOM 1882 CA MET B 564 54.052 14.606 17.434 1.00 0.00 C ATOM 1883 C MET B 564 53.077 15.780 17.440 1.00 0.00 C ATOM 1884 O MET B 564 52.379 16.008 18.404 1.00 0.00 O ATOM 1885 CB MET B 564 54.594 14.399 18.843 1.00 0.00 C ATOM 1886 CG MET B 564 55.942 13.676 18.772 1.00 0.00 C ATOM 1887 SD MET B 564 56.375 13.023 20.407 1.00 0.00 S ATOM 1888 CE MET B 564 55.060 11.785 20.539 1.00 0.00 C ATOM 0 H MET B 564 56.094 15.015 17.010 1.00 0.00 H new ATOM 0 HA MET B 564 53.538 13.709 17.089 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.711 15.360 19.344 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.887 13.816 19.434 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.892 12.863 18.047 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.716 14.362 18.428 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.430 10.918 21.086 1.00 0.00 H new ATOM 0 HE2 MET B 564 54.209 12.213 21.070 1.00 0.00 H new ATOM 0 HE3 MET B 564 54.748 11.478 19.541 1.00 0.00 H new ATOM 1898 N ALA B 565 53.094 16.520 16.370 1.00 0.00 N ATOM 1899 CA ALA B 565 52.256 17.742 16.176 1.00 0.00 C ATOM 1900 C ALA B 565 53.201 18.927 16.239 1.00 0.00 C ATOM 1901 O ALA B 565 52.841 20.050 15.945 1.00 0.00 O ATOM 1902 CB ALA B 565 51.163 17.904 17.237 1.00 0.00 C ATOM 0 H ALA B 565 53.693 16.315 15.570 1.00 0.00 H new ATOM 0 HA ALA B 565 51.736 17.666 15.221 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.593 18.811 17.036 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.497 17.042 17.207 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.621 17.975 18.224 1.00 0.00 H new ATOM 1908 N LYS B 566 54.427 18.671 16.610 1.00 0.00 N ATOM 1909 CA LYS B 566 55.427 19.764 16.681 1.00 0.00 C ATOM 1910 C LYS B 566 55.968 20.007 15.278 1.00 0.00 C ATOM 1911 O LYS B 566 55.888 19.152 14.427 1.00 0.00 O ATOM 1912 CB LYS B 566 56.579 19.330 17.600 1.00 0.00 C ATOM 1913 CG LYS B 566 56.342 19.833 19.026 1.00 0.00 C ATOM 1914 CD LYS B 566 57.247 19.060 20.002 1.00 0.00 C ATOM 1915 CE LYS B 566 56.541 17.776 20.466 1.00 0.00 C ATOM 1916 NZ LYS B 566 57.560 16.777 20.897 1.00 0.00 N ATOM 0 H LYS B 566 54.776 17.747 16.867 1.00 0.00 H new ATOM 0 HA LYS B 566 54.971 20.673 17.073 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.663 18.243 17.600 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.523 19.723 17.221 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.553 20.901 19.086 1.00 0.00 H new ATOM 0 HG3 LYS B 566 55.296 19.699 19.301 1.00 0.00 H new ATOM 0 HD2 LYS B 566 58.191 18.811 19.517 1.00 0.00 H new ATOM 0 HD3 LYS B 566 57.486 19.685 20.862 1.00 0.00 H new ATOM 0 HE2 LYS B 566 55.863 17.998 21.290 1.00 0.00 H new ATOM 0 HE3 LYS B 566 55.936 17.368 19.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 57.083 15.908 21.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 58.190 16.557 20.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 58.119 17.168 21.682 1.00 0.00 H new ATOM 1930 N LYS B 567 56.539 21.155 15.043 1.00 0.00 N ATOM 1931 CA LYS B 567 57.118 21.459 13.705 1.00 0.00 C ATOM 1932 C LYS B 567 58.629 21.311 13.823 1.00 0.00 C ATOM 1933 O LYS B 567 59.144 21.079 14.899 1.00 0.00 O ATOM 1934 CB LYS B 567 56.740 22.886 13.297 1.00 0.00 C ATOM 1935 CG LYS B 567 55.325 23.219 13.799 1.00 0.00 C ATOM 1936 CD LYS B 567 54.288 22.239 13.212 1.00 0.00 C ATOM 1937 CE LYS B 567 54.220 22.405 11.692 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.925 21.863 11.193 1.00 0.00 N ATOM 0 H LYS B 567 56.630 21.904 15.729 1.00 0.00 H new ATOM 0 HA LYS B 567 56.735 20.781 12.942 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.458 23.594 13.712 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.783 22.987 12.213 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.300 23.172 14.888 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.066 24.240 13.518 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.560 21.214 13.463 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.308 22.426 13.652 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.313 23.458 11.425 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.052 21.882 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.877 21.975 10.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.854 20.854 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.139 22.381 11.634 1.00 0.00 H new ATOM 1952 N PHE B 568 59.357 21.420 12.753 1.00 0.00 N ATOM 1953 CA PHE B 568 60.831 21.254 12.884 1.00 0.00 C ATOM 1954 C PHE B 568 61.530 21.868 11.685 1.00 0.00 C ATOM 1955 O PHE B 568 61.151 21.651 10.552 1.00 0.00 O ATOM 1956 CB PHE B 568 61.164 19.737 12.959 1.00 0.00 C ATOM 1957 CG PHE B 568 61.654 19.363 14.347 1.00 0.00 C ATOM 1958 CD1 PHE B 568 62.904 19.812 14.790 1.00 0.00 C ATOM 1959 CD2 PHE B 568 60.859 18.570 15.186 1.00 0.00 C ATOM 1960 CE1 PHE B 568 63.359 19.470 16.069 1.00 0.00 C ATOM 1961 CE2 PHE B 568 61.314 18.228 16.465 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.564 18.678 16.906 1.00 0.00 C ATOM 0 H PHE B 568 59.010 21.612 11.813 1.00 0.00 H new ATOM 0 HA PHE B 568 61.175 21.755 13.789 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.278 19.152 12.711 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.926 19.490 12.220 1.00 0.00 H new ATOM 0 HD1 PHE B 568 63.518 20.423 14.144 1.00 0.00 H new ATOM 0 HD2 PHE B 568 59.895 18.223 14.845 1.00 0.00 H new ATOM 0 HE1 PHE B 568 64.323 19.817 16.410 1.00 0.00 H new ATOM 0 HE2 PHE B 568 60.701 17.617 17.111 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.915 18.414 17.893 1.00 0.00 H new ATOM 1972 N HIS B 569 62.587 22.587 11.921 1.00 0.00 N ATOM 1973 CA HIS B 569 63.342 23.154 10.782 1.00 0.00 C ATOM 1974 C HIS B 569 63.712 21.957 9.888 1.00 0.00 C ATOM 1975 O HIS B 569 64.437 21.089 10.331 1.00 0.00 O ATOM 1976 CB HIS B 569 64.633 23.794 11.300 1.00 0.00 C ATOM 1977 CG HIS B 569 64.399 25.214 11.726 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.611 25.622 13.031 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.032 26.338 11.032 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.383 26.943 13.081 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.023 27.432 11.891 1.00 0.00 N ATOM 0 H HIS B 569 62.957 22.804 12.847 1.00 0.00 H new ATOM 0 HA HIS B 569 62.762 23.906 10.248 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.016 23.217 12.142 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.395 23.766 10.521 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.788 26.369 9.980 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.479 27.540 13.976 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.792 28.399 11.662 1.00 0.00 H new ATOM 1988 N PRO B 570 63.230 21.864 8.673 1.00 0.00 N ATOM 1989 CA PRO B 570 63.579 20.696 7.827 1.00 0.00 C ATOM 1990 C PRO B 570 65.085 20.389 7.870 1.00 0.00 C ATOM 1991 O PRO B 570 65.534 19.373 7.382 1.00 0.00 O ATOM 1992 CB PRO B 570 63.112 21.164 6.443 1.00 0.00 C ATOM 1993 CG PRO B 570 62.051 22.248 6.676 1.00 0.00 C ATOM 1994 CD PRO B 570 62.326 22.870 8.051 1.00 0.00 C ATOM 0 HA PRO B 570 63.118 19.761 8.146 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.948 21.559 5.866 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.697 20.333 5.874 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.099 23.007 5.895 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.050 21.819 6.642 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.800 23.848 7.969 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.411 23.007 8.627 1.00 0.00 H new ATOM 2002 N GLU B 571 65.866 21.263 8.466 1.00 0.00 N ATOM 2003 CA GLU B 571 67.337 21.033 8.557 1.00 0.00 C ATOM 2004 C GLU B 571 67.702 20.505 9.951 1.00 0.00 C ATOM 2005 O GLU B 571 68.354 19.497 10.105 1.00 0.00 O ATOM 2006 CB GLU B 571 68.055 22.367 8.337 1.00 0.00 C ATOM 2007 CG GLU B 571 67.305 23.160 7.278 1.00 0.00 C ATOM 2008 CD GLU B 571 68.159 24.343 6.819 1.00 0.00 C ATOM 2009 OE1 GLU B 571 69.164 24.606 7.458 1.00 0.00 O ATOM 2010 OE2 GLU B 571 67.793 24.966 5.836 1.00 0.00 O ATOM 0 H GLU B 571 65.540 22.130 8.894 1.00 0.00 H new ATOM 0 HA GLU B 571 67.636 20.304 7.804 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.099 22.930 9.269 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.084 22.194 8.021 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.069 22.519 6.429 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.357 23.518 7.681 1.00 0.00 H new ATOM 2017 N HIS B 572 67.288 21.191 10.970 1.00 0.00 N ATOM 2018 CA HIS B 572 67.625 20.738 12.354 1.00 0.00 C ATOM 2019 C HIS B 572 67.120 19.314 12.571 1.00 0.00 C ATOM 2020 O HIS B 572 67.386 18.702 13.586 1.00 0.00 O ATOM 2021 CB HIS B 572 67.013 21.703 13.375 1.00 0.00 C ATOM 2022 CG HIS B 572 67.426 23.100 12.984 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.756 24.263 13.384 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.470 23.532 12.199 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.410 25.305 12.835 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.455 24.916 12.108 1.00 0.00 N ATOM 0 H HIS B 572 66.732 22.044 10.913 1.00 0.00 H new ATOM 0 HA HIS B 572 68.707 20.738 12.487 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.927 21.613 13.384 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.361 21.468 14.381 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.195 22.888 11.723 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.120 26.337 12.969 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.106 25.509 11.594 1.00 0.00 H new ATOM 2033 N PHE B 573 66.422 18.772 11.606 1.00 0.00 N ATOM 2034 CA PHE B 573 65.921 17.367 11.715 1.00 0.00 C ATOM 2035 C PHE B 573 66.428 16.603 10.489 1.00 0.00 C ATOM 2036 O PHE B 573 65.669 16.027 9.738 1.00 0.00 O ATOM 2037 CB PHE B 573 64.391 17.369 11.738 1.00 0.00 C ATOM 2038 CG PHE B 573 63.879 16.079 12.340 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.457 15.035 11.508 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.825 15.931 13.731 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.981 13.843 12.068 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.350 14.739 14.290 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.928 13.695 13.459 1.00 0.00 C ATOM 0 H PHE B 573 66.175 19.247 10.738 1.00 0.00 H new ATOM 0 HA PHE B 573 66.277 16.896 12.631 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.029 18.219 12.317 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.004 17.486 10.726 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.499 15.149 10.435 1.00 0.00 H new ATOM 0 HD2 PHE B 573 64.150 16.737 14.373 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.655 13.038 11.427 1.00 0.00 H new ATOM 0 HE2 PHE B 573 63.309 14.625 15.363 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.562 12.775 13.891 1.00 0.00 H new ATOM 2053 N VAL B 574 67.716 16.632 10.280 1.00 0.00 N ATOM 2054 CA VAL B 574 68.325 15.951 9.098 1.00 0.00 C ATOM 2055 C VAL B 574 68.784 14.530 9.465 1.00 0.00 C ATOM 2056 O VAL B 574 68.688 14.098 10.596 1.00 0.00 O ATOM 2057 CB VAL B 574 69.560 16.724 8.625 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.149 18.072 7.988 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.500 16.944 9.822 1.00 0.00 C ATOM 0 H VAL B 574 68.384 17.106 10.888 1.00 0.00 H new ATOM 0 HA VAL B 574 67.568 15.911 8.315 1.00 0.00 H new ATOM 0 HB VAL B 574 70.081 16.147 7.861 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.041 18.606 7.659 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.500 17.887 7.132 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.616 18.675 8.724 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.383 17.494 9.495 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.981 17.515 10.592 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.803 15.979 10.229 1.00 0.00 H new ATOM 2069 N CYS B 575 69.291 13.816 8.494 1.00 0.00 N ATOM 2070 CA CYS B 575 69.785 12.418 8.722 1.00 0.00 C ATOM 2071 C CYS B 575 71.131 12.495 9.406 1.00 0.00 C ATOM 2072 O CYS B 575 71.870 13.433 9.179 1.00 0.00 O ATOM 2073 CB CYS B 575 69.915 11.719 7.351 1.00 0.00 C ATOM 2074 SG CYS B 575 71.570 10.997 7.094 1.00 0.00 S ATOM 0 H CYS B 575 69.387 14.146 7.534 1.00 0.00 H new ATOM 0 HA CYS B 575 69.096 11.852 9.349 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.163 10.934 7.274 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.708 12.438 6.558 1.00 0.00 H new ATOM 2079 N ALA B 576 71.493 11.533 10.231 1.00 0.00 N ATOM 2080 CA ALA B 576 72.839 11.660 10.863 1.00 0.00 C ATOM 2081 C ALA B 576 73.885 10.853 10.081 1.00 0.00 C ATOM 2082 O ALA B 576 74.420 9.865 10.539 1.00 0.00 O ATOM 2083 CB ALA B 576 72.754 11.121 12.296 1.00 0.00 C ATOM 0 H ALA B 576 70.945 10.710 10.481 1.00 0.00 H new ATOM 0 HA ALA B 576 73.140 12.708 10.861 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.729 11.205 12.775 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.022 11.699 12.859 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.450 10.074 12.274 1.00 0.00 H new ATOM 2089 N PHE B 577 74.271 11.406 8.969 1.00 0.00 N ATOM 2090 CA PHE B 577 75.394 10.900 8.129 1.00 0.00 C ATOM 2091 C PHE B 577 75.859 12.173 7.439 1.00 0.00 C ATOM 2092 O PHE B 577 76.981 12.628 7.541 1.00 0.00 O ATOM 2093 CB PHE B 577 74.963 9.833 7.094 1.00 0.00 C ATOM 2094 CG PHE B 577 76.181 9.100 6.480 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.973 7.919 5.728 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.511 9.572 6.641 1.00 0.00 C ATOM 2097 CE1 PHE B 577 77.057 7.239 5.161 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.580 8.877 6.067 1.00 0.00 C ATOM 2099 CZ PHE B 577 78.355 7.716 5.331 1.00 0.00 C ATOM 0 H PHE B 577 73.826 12.240 8.585 1.00 0.00 H new ATOM 0 HA PHE B 577 76.157 10.388 8.716 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.306 9.107 7.573 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.387 10.309 6.300 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.971 7.540 5.591 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.697 10.471 7.209 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.886 6.339 4.588 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.588 9.243 6.195 1.00 0.00 H new ATOM 0 HZ PHE B 577 79.187 7.185 4.892 1.00 0.00 H new ATOM 2109 N CYS B 578 74.894 12.763 6.765 1.00 0.00 N ATOM 2110 CA CYS B 578 75.069 14.050 6.046 1.00 0.00 C ATOM 2111 C CYS B 578 74.127 15.058 6.709 1.00 0.00 C ATOM 2112 O CYS B 578 72.935 14.837 6.801 1.00 0.00 O ATOM 2113 CB CYS B 578 74.666 13.877 4.581 1.00 0.00 C ATOM 2114 SG CYS B 578 73.021 13.115 4.484 1.00 0.00 S ATOM 0 H CYS B 578 73.953 12.377 6.688 1.00 0.00 H new ATOM 0 HA CYS B 578 76.106 14.384 6.088 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.659 14.845 4.079 1.00 0.00 H new ATOM 0 HB3 CYS B 578 75.397 13.255 4.064 1.00 0.00 H new ATOM 2119 N LEU B 579 74.647 16.136 7.205 1.00 0.00 N ATOM 2120 CA LEU B 579 73.790 17.132 7.902 1.00 0.00 C ATOM 2121 C LEU B 579 72.945 17.963 6.910 1.00 0.00 C ATOM 2122 O LEU B 579 72.456 19.010 7.288 1.00 0.00 O ATOM 2123 CB LEU B 579 74.704 18.115 8.670 1.00 0.00 C ATOM 2124 CG LEU B 579 75.055 17.580 10.071 1.00 0.00 C ATOM 2125 CD1 LEU B 579 75.930 16.305 9.961 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.801 18.684 10.873 1.00 0.00 C ATOM 0 H LEU B 579 75.637 16.376 7.159 1.00 0.00 H new ATOM 0 HA LEU B 579 73.119 16.587 8.566 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.620 18.281 8.103 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.206 19.080 8.762 1.00 0.00 H new ATOM 0 HG LEU B 579 74.136 17.316 10.594 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.169 15.940 10.960 1.00 0.00 H new ATOM 0 HD12 LEU B 579 75.385 15.536 9.415 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.853 16.542 9.431 1.00 0.00 H new ATOM 0 HD21 LEU B 579 76.050 18.307 11.865 1.00 0.00 H new ATOM 0 HD22 LEU B 579 76.716 18.959 10.349 1.00 0.00 H new ATOM 0 HD23 LEU B 579 75.160 19.560 10.968 1.00 0.00 H new ATOM 2138 N LYS B 580 72.800 17.598 5.646 1.00 0.00 N ATOM 2139 CA LYS B 580 72.034 18.536 4.745 1.00 0.00 C ATOM 2140 C LYS B 580 70.522 18.255 4.635 1.00 0.00 C ATOM 2141 O LYS B 580 69.757 19.201 4.614 1.00 0.00 O ATOM 2142 CB LYS B 580 72.691 18.491 3.332 1.00 0.00 C ATOM 2143 CG LYS B 580 72.023 17.470 2.377 1.00 0.00 C ATOM 2144 CD LYS B 580 72.254 16.033 2.877 1.00 0.00 C ATOM 2145 CE LYS B 580 71.146 15.115 2.355 1.00 0.00 C ATOM 2146 NZ LYS B 580 71.010 15.290 0.881 1.00 0.00 N ATOM 0 H LYS B 580 73.156 16.743 5.219 1.00 0.00 H new ATOM 0 HA LYS B 580 72.096 19.526 5.198 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.641 19.483 2.884 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.747 18.242 3.438 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.954 17.671 2.311 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.431 17.582 1.372 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.226 15.673 2.539 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.269 16.016 3.967 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.379 14.076 2.589 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.203 15.349 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.541 14.456 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.441 16.138 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.953 15.399 0.456 1.00 0.00 H new ATOM 2160 N GLN B 581 70.031 17.033 4.573 1.00 0.00 N ATOM 2161 CA GLN B 581 68.534 16.915 4.477 1.00 0.00 C ATOM 2162 C GLN B 581 67.938 15.546 4.813 1.00 0.00 C ATOM 2163 O GLN B 581 68.419 14.507 4.406 1.00 0.00 O ATOM 2164 CB GLN B 581 68.068 17.352 3.092 1.00 0.00 C ATOM 2165 CG GLN B 581 66.559 17.628 3.113 1.00 0.00 C ATOM 2166 CD GLN B 581 66.279 18.940 3.842 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.056 19.959 3.219 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.281 18.959 5.143 1.00 0.00 N ATOM 0 H GLN B 581 70.562 16.162 4.584 1.00 0.00 H new ATOM 0 HA GLN B 581 68.159 17.577 5.258 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.606 18.248 2.783 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.295 16.576 2.361 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.176 17.680 2.094 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.038 16.809 3.608 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.468 18.103 5.665 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.095 19.830 5.641 1.00 0.00 H new ATOM 2177 N LEU B 582 66.813 15.588 5.472 1.00 0.00 N ATOM 2178 CA LEU B 582 66.022 14.368 5.784 1.00 0.00 C ATOM 2179 C LEU B 582 64.540 14.739 5.642 1.00 0.00 C ATOM 2180 O LEU B 582 64.200 15.898 5.528 1.00 0.00 O ATOM 2181 CB LEU B 582 66.310 13.935 7.203 1.00 0.00 C ATOM 2182 CG LEU B 582 65.828 12.503 7.465 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.572 11.502 6.548 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.077 12.173 8.948 1.00 0.00 C ATOM 0 H LEU B 582 66.396 16.452 5.819 1.00 0.00 H new ATOM 0 HA LEU B 582 66.279 13.549 5.112 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.381 13.999 7.393 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.821 14.617 7.899 1.00 0.00 H new ATOM 0 HG LEU B 582 64.764 12.422 7.243 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.216 10.491 6.749 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.381 11.753 5.505 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.643 11.556 6.744 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.741 11.157 9.156 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.142 12.254 9.165 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.525 12.874 9.574 1.00 0.00 H new ATOM 2196 N ASN B 583 63.658 13.780 5.647 1.00 0.00 N ATOM 2197 CA ASN B 583 62.201 14.099 5.510 1.00 0.00 C ATOM 2198 C ASN B 583 61.387 13.044 6.258 1.00 0.00 C ATOM 2199 O ASN B 583 61.646 11.863 6.157 1.00 0.00 O ATOM 2200 CB ASN B 583 61.814 14.091 4.023 1.00 0.00 C ATOM 2201 CG ASN B 583 62.177 15.422 3.372 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.454 16.395 4.044 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.175 15.503 2.075 1.00 0.00 N ATOM 0 H ASN B 583 63.878 12.788 5.740 1.00 0.00 H new ATOM 0 HA ASN B 583 61.997 15.084 5.929 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.327 13.277 3.511 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.744 13.908 3.920 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.406 16.385 1.619 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.942 14.684 1.513 1.00 0.00 H new ATOM 2210 N LYS B 584 60.399 13.458 7.002 1.00 0.00 N ATOM 2211 CA LYS B 584 59.573 12.479 7.750 1.00 0.00 C ATOM 2212 C LYS B 584 59.024 11.443 6.777 1.00 0.00 C ATOM 2213 O LYS B 584 58.526 10.404 7.162 1.00 0.00 O ATOM 2214 CB LYS B 584 58.409 13.217 8.405 1.00 0.00 C ATOM 2215 CG LYS B 584 57.651 14.065 7.342 1.00 0.00 C ATOM 2216 CD LYS B 584 56.137 13.972 7.567 1.00 0.00 C ATOM 2217 CE LYS B 584 55.752 14.647 8.889 1.00 0.00 C ATOM 2218 NZ LYS B 584 55.671 16.120 8.687 1.00 0.00 N ATOM 0 H LYS B 584 60.130 14.435 7.122 1.00 0.00 H new ATOM 0 HA LYS B 584 60.177 11.985 8.511 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.727 12.502 8.865 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.779 13.863 9.201 1.00 0.00 H new ATOM 0 HG2 LYS B 584 57.971 15.105 7.401 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.899 13.712 6.341 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.610 14.449 6.741 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.828 12.927 7.581 1.00 0.00 H new ATOM 0 HE2 LYS B 584 54.794 14.264 9.240 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.489 14.414 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 56.398 16.590 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 55.827 16.342 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 54.730 16.459 8.974 1.00 0.00 H new ATOM 2232 N GLY B 585 59.104 11.733 5.510 1.00 0.00 N ATOM 2233 CA GLY B 585 58.591 10.789 4.483 1.00 0.00 C ATOM 2234 C GLY B 585 59.740 9.925 3.998 1.00 0.00 C ATOM 2235 O GLY B 585 59.551 8.898 3.376 1.00 0.00 O ATOM 0 H GLY B 585 59.507 12.593 5.139 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.801 10.166 4.903 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.154 11.339 3.649 1.00 0.00 H new ATOM 2239 N THR B 586 60.937 10.342 4.289 1.00 0.00 N ATOM 2240 CA THR B 586 62.139 9.571 3.869 1.00 0.00 C ATOM 2241 C THR B 586 63.126 9.525 5.025 1.00 0.00 C ATOM 2242 O THR B 586 64.317 9.385 4.831 1.00 0.00 O ATOM 2243 CB THR B 586 62.787 10.254 2.667 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.600 11.329 3.118 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.690 10.789 1.748 1.00 0.00 C ATOM 0 H THR B 586 61.138 11.197 4.808 1.00 0.00 H new ATOM 0 HA THR B 586 61.851 8.557 3.592 1.00 0.00 H new ATOM 0 HB THR B 586 63.405 9.540 2.122 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.018 11.768 2.348 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.144 11.279 0.886 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.065 9.963 1.408 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.077 11.507 2.293 1.00 0.00 H new ATOM 2253 N PHE B 587 62.643 9.635 6.235 1.00 0.00 N ATOM 2254 CA PHE B 587 63.575 9.588 7.404 1.00 0.00 C ATOM 2255 C PHE B 587 63.748 8.139 7.855 1.00 0.00 C ATOM 2256 O PHE B 587 62.866 7.522 8.419 1.00 0.00 O ATOM 2257 CB PHE B 587 63.052 10.455 8.564 1.00 0.00 C ATOM 2258 CG PHE B 587 61.966 9.740 9.355 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.778 9.349 8.727 1.00 0.00 C ATOM 2260 CD2 PHE B 587 62.154 9.469 10.719 1.00 0.00 C ATOM 2261 CE1 PHE B 587 59.781 8.690 9.457 1.00 0.00 C ATOM 2262 CE2 PHE B 587 61.156 8.811 11.448 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.970 8.421 10.816 1.00 0.00 C ATOM 0 H PHE B 587 61.656 9.754 6.465 1.00 0.00 H new ATOM 0 HA PHE B 587 64.541 9.991 7.100 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.878 10.711 9.228 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.658 11.392 8.170 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.630 9.556 7.677 1.00 0.00 H new ATOM 0 HD2 PHE B 587 63.070 9.768 11.207 1.00 0.00 H new ATOM 0 HE1 PHE B 587 58.865 8.389 8.970 1.00 0.00 H new ATOM 0 HE2 PHE B 587 61.302 8.604 12.498 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.201 7.912 11.378 1.00 0.00 H new ATOM 2273 N LYS B 588 64.900 7.599 7.595 1.00 0.00 N ATOM 2274 CA LYS B 588 65.202 6.196 7.982 1.00 0.00 C ATOM 2275 C LYS B 588 66.017 6.251 9.274 1.00 0.00 C ATOM 2276 O LYS B 588 66.492 7.295 9.666 1.00 0.00 O ATOM 2277 CB LYS B 588 65.996 5.549 6.820 1.00 0.00 C ATOM 2278 CG LYS B 588 65.458 4.150 6.416 1.00 0.00 C ATOM 2279 CD LYS B 588 63.926 4.095 6.184 1.00 0.00 C ATOM 2280 CE LYS B 588 63.380 5.393 5.571 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.146 5.084 4.795 1.00 0.00 N ATOM 0 H LYS B 588 65.663 8.081 7.120 1.00 0.00 H new ATOM 0 HA LYS B 588 64.307 5.599 8.158 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.961 6.209 5.953 1.00 0.00 H new ATOM 0 HB3 LYS B 588 67.043 5.459 7.110 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.963 3.829 5.505 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.721 3.434 7.195 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.691 3.259 5.526 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.424 3.905 7.133 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.159 6.116 6.356 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.129 5.846 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.771 5.959 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.372 4.408 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.433 4.669 5.428 1.00 0.00 H new ATOM 2295 N GLU B 589 66.159 5.155 9.960 1.00 0.00 N ATOM 2296 CA GLU B 589 66.921 5.190 11.242 1.00 0.00 C ATOM 2297 C GLU B 589 67.533 3.829 11.542 1.00 0.00 C ATOM 2298 O GLU B 589 67.082 2.794 11.093 1.00 0.00 O ATOM 2299 CB GLU B 589 65.979 5.614 12.385 1.00 0.00 C ATOM 2300 CG GLU B 589 66.534 5.190 13.754 1.00 0.00 C ATOM 2301 CD GLU B 589 65.749 5.899 14.860 1.00 0.00 C ATOM 2302 OE1 GLU B 589 66.240 6.897 15.359 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.673 5.430 15.189 1.00 0.00 O ATOM 0 H GLU B 589 65.786 4.243 9.695 1.00 0.00 H new ATOM 0 HA GLU B 589 67.732 5.913 11.152 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.843 6.695 12.365 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.997 5.166 12.234 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.455 4.109 13.872 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.592 5.442 13.824 1.00 0.00 H new ATOM 2310 N GLN B 590 68.552 3.857 12.337 1.00 0.00 N ATOM 2311 CA GLN B 590 69.244 2.624 12.757 1.00 0.00 C ATOM 2312 C GLN B 590 69.945 2.946 14.071 1.00 0.00 C ATOM 2313 O GLN B 590 70.398 4.054 14.278 1.00 0.00 O ATOM 2314 CB GLN B 590 70.275 2.197 11.696 1.00 0.00 C ATOM 2315 CG GLN B 590 70.531 0.676 11.793 1.00 0.00 C ATOM 2316 CD GLN B 590 69.577 -0.082 10.863 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.378 0.106 10.919 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.066 -0.939 10.007 1.00 0.00 N ATOM 0 H GLN B 590 68.946 4.714 12.726 1.00 0.00 H new ATOM 0 HA GLN B 590 68.539 1.802 12.876 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.911 2.451 10.700 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.208 2.742 11.843 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.564 0.456 11.524 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.391 0.341 12.821 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.073 -1.096 9.961 1.00 0.00 H new ATOM 0 HE22 GLN B 590 69.441 -1.451 9.385 1.00 0.00 H new ATOM 2327 N ASN B 591 70.040 2.007 14.962 1.00 0.00 N ATOM 2328 CA ASN B 591 70.711 2.281 16.265 1.00 0.00 C ATOM 2329 C ASN B 591 70.189 3.613 16.843 1.00 0.00 C ATOM 2330 O ASN B 591 70.847 4.238 17.645 1.00 0.00 O ATOM 2331 CB ASN B 591 72.257 2.325 16.088 1.00 0.00 C ATOM 2332 CG ASN B 591 72.636 2.440 14.615 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.344 3.346 14.221 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.190 1.551 13.783 1.00 0.00 N ATOM 0 H ASN B 591 69.683 1.058 14.848 1.00 0.00 H new ATOM 0 HA ASN B 591 70.478 1.476 16.962 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.666 3.172 16.639 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.701 1.424 16.512 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.433 1.611 12.794 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.596 0.792 14.117 1.00 0.00 H new ATOM 2341 N ASP B 592 69.001 4.028 16.443 1.00 0.00 N ATOM 2342 CA ASP B 592 68.389 5.302 16.962 1.00 0.00 C ATOM 2343 C ASP B 592 68.925 6.514 16.199 1.00 0.00 C ATOM 2344 O ASP B 592 68.474 7.626 16.391 1.00 0.00 O ATOM 2345 CB ASP B 592 68.697 5.486 18.454 1.00 0.00 C ATOM 2346 CG ASP B 592 68.638 4.134 19.170 1.00 0.00 C ATOM 2347 OD1 ASP B 592 67.604 3.491 19.095 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.628 3.766 19.781 1.00 0.00 O ATOM 0 H ASP B 592 68.422 3.528 15.768 1.00 0.00 H new ATOM 0 HA ASP B 592 67.311 5.227 16.817 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.685 5.930 18.578 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.980 6.175 18.900 1.00 0.00 H new ATOM 2353 N LYS B 593 69.890 6.319 15.357 1.00 0.00 N ATOM 2354 CA LYS B 593 70.466 7.459 14.604 1.00 0.00 C ATOM 2355 C LYS B 593 69.672 7.689 13.304 1.00 0.00 C ATOM 2356 O LYS B 593 69.669 6.833 12.443 1.00 0.00 O ATOM 2357 CB LYS B 593 71.899 7.103 14.235 1.00 0.00 C ATOM 2358 CG LYS B 593 72.711 6.750 15.497 1.00 0.00 C ATOM 2359 CD LYS B 593 74.178 7.154 15.295 1.00 0.00 C ATOM 2360 CE LYS B 593 75.019 6.730 16.508 1.00 0.00 C ATOM 2361 NZ LYS B 593 76.196 7.636 16.632 1.00 0.00 N ATOM 0 H LYS B 593 70.309 5.411 15.155 1.00 0.00 H new ATOM 0 HA LYS B 593 70.426 8.361 15.215 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.904 6.259 13.545 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.366 7.941 13.718 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.297 7.265 16.364 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.642 5.681 15.699 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.570 6.687 14.391 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.249 8.232 15.153 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.416 6.772 17.415 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.350 5.698 16.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 76.786 7.331 17.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 76.755 7.600 15.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 75.869 8.610 16.794 1.00 0.00 H new ATOM 2375 N PRO B 594 69.013 8.820 13.123 1.00 0.00 N ATOM 2376 CA PRO B 594 68.264 9.050 11.858 1.00 0.00 C ATOM 2377 C PRO B 594 69.132 8.768 10.626 1.00 0.00 C ATOM 2378 O PRO B 594 70.340 8.674 10.718 1.00 0.00 O ATOM 2379 CB PRO B 594 67.898 10.534 11.969 1.00 0.00 C ATOM 2380 CG PRO B 594 67.984 10.920 13.449 1.00 0.00 C ATOM 2381 CD PRO B 594 68.949 9.931 14.123 1.00 0.00 C ATOM 0 HA PRO B 594 67.401 8.396 11.734 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.579 11.142 11.374 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.894 10.711 11.584 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.343 11.943 13.559 1.00 0.00 H new ATOM 0 HG3 PRO B 594 67.000 10.876 13.916 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.928 10.375 14.301 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.574 9.589 15.088 1.00 0.00 H new ATOM 2389 N TYR B 595 68.528 8.626 9.480 1.00 0.00 N ATOM 2390 CA TYR B 595 69.326 8.339 8.251 1.00 0.00 C ATOM 2391 C TYR B 595 68.431 8.453 7.011 1.00 0.00 C ATOM 2392 O TYR B 595 67.318 7.967 7.001 1.00 0.00 O ATOM 2393 CB TYR B 595 69.840 6.887 8.286 1.00 0.00 C ATOM 2394 CG TYR B 595 71.072 6.712 9.160 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.241 7.442 8.901 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.055 5.775 10.206 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.383 7.236 9.688 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.196 5.577 10.990 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.359 6.305 10.730 1.00 0.00 C ATOM 2400 OH TYR B 595 74.486 6.105 11.500 1.00 0.00 O ATOM 0 H TYR B 595 67.520 8.695 9.339 1.00 0.00 H new ATOM 0 HA TYR B 595 70.151 9.050 8.212 1.00 0.00 H new ATOM 0 HB2 TYR B 595 69.046 6.236 8.652 1.00 0.00 H new ATOM 0 HB3 TYR B 595 70.073 6.566 7.271 1.00 0.00 H new ATOM 0 HD1 TYR B 595 72.262 8.162 8.096 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.159 5.206 10.405 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.283 7.798 9.488 1.00 0.00 H new ATOM 0 HE2 TYR B 595 72.178 4.860 11.798 1.00 0.00 H new ATOM 0 HH TYR B 595 74.300 5.425 12.181 1.00 0.00 H new ATOM 2410 N CYS B 596 68.927 9.003 5.936 1.00 0.00 N ATOM 2411 CA CYS B 596 68.099 9.019 4.702 1.00 0.00 C ATOM 2412 C CYS B 596 68.041 7.573 4.255 1.00 0.00 C ATOM 2413 O CYS B 596 68.937 6.809 4.551 1.00 0.00 O ATOM 2414 CB CYS B 596 68.749 9.854 3.579 1.00 0.00 C ATOM 2415 SG CYS B 596 69.466 11.379 4.229 1.00 0.00 S ATOM 0 H CYS B 596 69.849 9.432 5.860 1.00 0.00 H new ATOM 0 HA CYS B 596 67.122 9.460 4.902 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.524 9.266 3.087 1.00 0.00 H new ATOM 0 HB3 CYS B 596 68.002 10.094 2.822 1.00 0.00 H new ATOM 2420 N GLN B 597 67.047 7.162 3.537 1.00 0.00 N ATOM 2421 CA GLN B 597 67.061 5.752 3.102 1.00 0.00 C ATOM 2422 C GLN B 597 68.349 5.573 2.295 1.00 0.00 C ATOM 2423 O GLN B 597 69.188 4.756 2.612 1.00 0.00 O ATOM 2424 CB GLN B 597 65.785 5.462 2.278 1.00 0.00 C ATOM 2425 CG GLN B 597 66.005 4.349 1.235 1.00 0.00 C ATOM 2426 CD GLN B 597 65.748 2.987 1.875 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.325 2.057 1.219 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.992 2.840 3.141 1.00 0.00 N ATOM 0 H GLN B 597 66.248 7.721 3.239 1.00 0.00 H new ATOM 0 HA GLN B 597 67.053 5.046 3.932 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.978 5.172 2.951 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.466 6.373 1.772 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.337 4.495 0.387 1.00 0.00 H new ATOM 0 HG3 GLN B 597 67.024 4.394 0.850 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.347 3.625 3.686 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.829 1.939 3.591 1.00 0.00 H new ATOM 2437 N ASN B 598 68.514 6.360 1.269 1.00 0.00 N ATOM 2438 CA ASN B 598 69.746 6.272 0.442 1.00 0.00 C ATOM 2439 C ASN B 598 70.963 6.214 1.364 1.00 0.00 C ATOM 2440 O ASN B 598 71.965 5.614 1.045 1.00 0.00 O ATOM 2441 CB ASN B 598 69.830 7.501 -0.477 1.00 0.00 C ATOM 2442 CG ASN B 598 68.427 7.955 -0.855 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.062 9.096 -0.652 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.623 7.098 -1.402 1.00 0.00 N ATOM 0 H ASN B 598 67.842 7.065 0.967 1.00 0.00 H new ATOM 0 HA ASN B 598 69.722 5.373 -0.173 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.361 8.309 0.027 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.398 7.258 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.679 7.380 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.935 6.141 -1.570 1.00 0.00 H new ATOM 2451 N CYS B 599 70.872 6.820 2.516 1.00 0.00 N ATOM 2452 CA CYS B 599 72.010 6.782 3.467 1.00 0.00 C ATOM 2453 C CYS B 599 71.962 5.449 4.219 1.00 0.00 C ATOM 2454 O CYS B 599 72.851 4.639 4.105 1.00 0.00 O ATOM 2455 CB CYS B 599 71.889 7.948 4.464 1.00 0.00 C ATOM 2456 SG CYS B 599 72.626 9.442 3.755 1.00 0.00 S ATOM 0 H CYS B 599 70.055 7.340 2.837 1.00 0.00 H new ATOM 0 HA CYS B 599 72.954 6.876 2.931 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.841 8.127 4.703 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.389 7.693 5.398 1.00 0.00 H new ATOM 2461 N PHE B 600 70.914 5.230 4.973 1.00 0.00 N ATOM 2462 CA PHE B 600 70.757 3.964 5.756 1.00 0.00 C ATOM 2463 C PHE B 600 70.957 2.746 4.847 1.00 0.00 C ATOM 2464 O PHE B 600 71.742 1.864 5.133 1.00 0.00 O ATOM 2465 CB PHE B 600 69.332 3.966 6.370 1.00 0.00 C ATOM 2466 CG PHE B 600 68.725 2.574 6.435 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.830 1.815 7.605 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.051 2.055 5.325 1.00 0.00 C ATOM 2469 CE1 PHE B 600 68.264 0.535 7.663 1.00 0.00 C ATOM 2470 CE2 PHE B 600 67.485 0.776 5.382 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.593 0.015 6.551 1.00 0.00 C ATOM 0 H PHE B 600 70.144 5.890 5.081 1.00 0.00 H new ATOM 0 HA PHE B 600 71.506 3.906 6.546 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.373 4.388 7.374 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.685 4.614 5.778 1.00 0.00 H new ATOM 0 HD1 PHE B 600 69.348 2.216 8.464 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.967 2.642 4.422 1.00 0.00 H new ATOM 0 HE1 PHE B 600 68.346 -0.051 8.567 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.965 0.377 4.524 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.159 -0.973 6.595 1.00 0.00 H new ATOM 2481 N LEU B 601 70.225 2.678 3.779 1.00 0.00 N ATOM 2482 CA LEU B 601 70.333 1.508 2.875 1.00 0.00 C ATOM 2483 C LEU B 601 71.797 1.286 2.482 1.00 0.00 C ATOM 2484 O LEU B 601 72.269 0.168 2.424 1.00 0.00 O ATOM 2485 CB LEU B 601 69.407 1.750 1.650 1.00 0.00 C ATOM 2486 CG LEU B 601 70.185 2.008 0.340 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.899 0.718 -0.142 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.192 2.485 -0.731 1.00 0.00 C ATOM 0 H LEU B 601 69.551 3.387 3.490 1.00 0.00 H new ATOM 0 HA LEU B 601 70.005 0.595 3.371 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.759 0.884 1.516 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.760 2.603 1.855 1.00 0.00 H new ATOM 0 HG LEU B 601 70.946 2.768 0.517 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.440 0.925 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.601 0.383 0.622 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.159 -0.062 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.725 2.672 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.435 1.717 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.711 3.404 -0.397 1.00 0.00 H new ATOM 2500 N LYS B 602 72.513 2.330 2.197 1.00 0.00 N ATOM 2501 CA LYS B 602 73.940 2.152 1.791 1.00 0.00 C ATOM 2502 C LYS B 602 74.753 1.500 2.927 1.00 0.00 C ATOM 2503 O LYS B 602 75.803 0.938 2.695 1.00 0.00 O ATOM 2504 CB LYS B 602 74.570 3.528 1.447 1.00 0.00 C ATOM 2505 CG LYS B 602 75.518 3.426 0.245 1.00 0.00 C ATOM 2506 CD LYS B 602 76.592 2.366 0.484 1.00 0.00 C ATOM 2507 CE LYS B 602 77.687 2.511 -0.570 1.00 0.00 C ATOM 2508 NZ LYS B 602 78.815 1.595 -0.242 1.00 0.00 N ATOM 0 H LYS B 602 72.182 3.294 2.225 1.00 0.00 H new ATOM 0 HA LYS B 602 73.964 1.503 0.915 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.780 4.247 1.229 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.116 3.906 2.311 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.949 3.177 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.989 4.392 0.066 1.00 0.00 H new ATOM 0 HD2 LYS B 602 77.015 2.479 1.482 1.00 0.00 H new ATOM 0 HD3 LYS B 602 76.153 1.369 0.434 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.290 2.277 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS B 602 78.040 3.542 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 79.716 2.107 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 78.710 1.250 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.808 0.787 -0.897 1.00 0.00 H new ATOM 2522 N LEU B 603 74.313 1.611 4.159 1.00 0.00 N ATOM 2523 CA LEU B 603 75.121 1.041 5.292 1.00 0.00 C ATOM 2524 C LEU B 603 74.710 -0.401 5.620 1.00 0.00 C ATOM 2525 O LEU B 603 75.536 -1.291 5.652 1.00 0.00 O ATOM 2526 CB LEU B 603 74.964 1.926 6.556 1.00 0.00 C ATOM 2527 CG LEU B 603 74.498 3.337 6.179 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.351 4.177 7.447 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.515 4.026 5.254 1.00 0.00 C ATOM 0 H LEU B 603 73.441 2.065 4.430 1.00 0.00 H new ATOM 0 HA LEU B 603 76.164 1.029 4.975 1.00 0.00 H new ATOM 0 HB2 LEU B 603 74.245 1.471 7.237 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.915 1.982 7.087 1.00 0.00 H new ATOM 0 HG LEU B 603 73.544 3.252 5.659 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.020 5.181 7.182 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.616 3.715 8.107 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.312 4.235 7.958 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.159 5.025 5.002 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.477 4.100 5.762 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.631 3.442 4.341 1.00 0.00 H new ATOM 2541 N PHE B 604 73.455 -0.630 5.914 1.00 0.00 N ATOM 2542 CA PHE B 604 73.002 -2.009 6.300 1.00 0.00 C ATOM 2543 C PHE B 604 72.257 -2.692 5.143 1.00 0.00 C ATOM 2544 O PHE B 604 71.745 -3.784 5.294 1.00 0.00 O ATOM 2545 CB PHE B 604 72.079 -1.897 7.533 1.00 0.00 C ATOM 2546 CG PHE B 604 72.435 -0.652 8.319 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.389 -0.706 9.344 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.806 0.559 8.015 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.710 0.450 10.063 1.00 0.00 C ATOM 2550 CE2 PHE B 604 72.127 1.716 8.734 1.00 0.00 C ATOM 2551 CZ PHE B 604 73.078 1.661 9.759 1.00 0.00 C ATOM 0 H PHE B 604 72.720 0.077 5.904 1.00 0.00 H new ATOM 0 HA PHE B 604 73.874 -2.619 6.536 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.036 -1.855 7.218 1.00 0.00 H new ATOM 0 HB3 PHE B 604 72.186 -2.780 8.162 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.877 -1.641 9.579 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.072 0.602 7.224 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.446 0.408 10.853 1.00 0.00 H new ATOM 0 HE2 PHE B 604 71.641 2.651 8.498 1.00 0.00 H new ATOM 0 HZ PHE B 604 73.324 2.553 10.316 1.00 0.00 H new ATOM 2561 N CYS B 605 72.191 -2.077 3.991 1.00 0.00 N ATOM 2562 CA CYS B 605 71.477 -2.724 2.844 1.00 0.00 C ATOM 2563 C CYS B 605 72.130 -2.291 1.527 1.00 0.00 C ATOM 2564 O CYS B 605 71.493 -2.435 0.497 1.00 0.00 O ATOM 2565 CB CYS B 605 69.993 -2.314 2.852 1.00 0.00 C ATOM 2566 SG CYS B 605 69.434 -2.083 4.559 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.256 -1.825 1.573 1.00 0.00 O ATOM 0 H CYS B 605 72.596 -1.162 3.793 1.00 0.00 H new ATOM 0 HA CYS B 605 71.545 -3.808 2.942 1.00 0.00 H new ATOM 0 HB2 CYS B 605 69.857 -1.392 2.287 1.00 0.00 H new ATOM 0 HB3 CYS B 605 69.391 -3.080 2.362 1.00 0.00 H new ATOM 0 HG CYS B 605 68.750 -0.981 4.646 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 65.136 24.434 14.556 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 71.691 11.261 4.813 1.00 0.00 ZN