USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 CYS SG : rot 172:sc= -2.99! USER MOD Set 1.2: B 108 CYS SG : rot -64:sc= -1.27 USER MOD Set 1.3: B 126 CYS SG : rot 113:sc= -2.72! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.58 K(o=-8.6,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot -169:sc= -4.98! USER MOD Set 2.2: B 82 CYS SG : rot -109:sc= -0.33 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.81 K(o=-9.7,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.471 K(o=-9.7,f=-12) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.7! C(o=-28!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -1.05 K(o=-28,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -156:sc= -1.17 (180deg=-3.26!) USER MOD Set 4.2: A 46 CYS SG : rot 6:sc= 0.565 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.307 (180deg=-0.395) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -1.46 K(o=-1.5,f=-2!) USER MOD Single : A 11 THR OG1 : rot -119:sc= 1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.69 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.57 USER MOD Single : A 24 ASN : amide:sc= -2 K(o=-2,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc=-0.00878 (180deg=-0.159) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -16.3! (180deg=-18.8!) USER MOD Single : A 39 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.00725 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.018) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 70:sc= -0.686 USER MOD Single : A 71 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.03! K(o=-4!,f=-0.34) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.23 (180deg=-3.22!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.102) USER MOD Single : B 97 GLN : amide:sc= -7.16! K(o=-7.2!,f=-1.7) USER MOD Single : B 107 LYS NZ :NH3+ -156:sc= -1.17 (180deg=-2.78!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.157 (180deg=-0.916) USER MOD Single : B 115 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.54) USER MOD Single : B 117 HIS : no HD1:sc= -0.402 K(o=-0.4,f=-1) USER MOD Single : B 118 TYR OH : rot 6:sc= -0.597 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00853 (180deg=-0.213) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -104:sc= 0.758 USER MOD Single : B 131 ASN : amide:sc= -0.602 K(o=-0.6,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.598 K(o=-0.6,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.320 -10.127 -28.219 1.00 0.00 N ATOM 2 CA GLN A 1 -9.133 -9.567 -28.925 1.00 0.00 C ATOM 3 C GLN A 1 -8.314 -8.718 -27.950 1.00 0.00 C ATOM 4 O GLN A 1 -7.369 -8.057 -28.331 1.00 0.00 O ATOM 5 CB GLN A 1 -9.598 -8.696 -30.094 1.00 0.00 C ATOM 6 CG GLN A 1 -10.461 -9.531 -31.041 1.00 0.00 C ATOM 7 CD GLN A 1 -10.671 -8.765 -32.348 1.00 0.00 C ATOM 8 OE1 GLN A 1 -10.119 -9.122 -33.371 1.00 0.00 O ATOM 9 NE2 GLN A 1 -11.452 -7.720 -32.360 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.821 -10.784 -28.850 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.009 -10.635 -27.366 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.959 -9.353 -27.947 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.517 -10.383 -29.303 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.167 -7.844 -29.722 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -8.736 -8.295 -30.628 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -9.979 -10.488 -31.241 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.423 -9.750 -30.577 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.915 -7.420 -31.502 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -11.599 -7.203 -33.227 1.00 0.00 H new ATOM 20 N GLY A 2 -8.670 -8.730 -26.694 1.00 0.00 N ATOM 21 CA GLY A 2 -7.912 -7.924 -25.698 1.00 0.00 C ATOM 22 C GLY A 2 -8.334 -8.328 -24.286 1.00 0.00 C ATOM 23 O GLY A 2 -9.054 -7.615 -23.613 1.00 0.00 O ATOM 0 H GLY A 2 -9.453 -9.263 -26.316 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.841 -8.080 -25.827 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.100 -6.862 -25.855 1.00 0.00 H new ATOM 27 N SER A 3 -7.890 -9.465 -23.826 1.00 0.00 N ATOM 28 CA SER A 3 -8.266 -9.912 -22.456 1.00 0.00 C ATOM 29 C SER A 3 -7.300 -11.000 -21.988 1.00 0.00 C ATOM 30 O SER A 3 -7.677 -11.922 -21.294 1.00 0.00 O ATOM 31 CB SER A 3 -9.691 -10.469 -22.475 1.00 0.00 C ATOM 32 OG SER A 3 -9.736 -11.612 -23.315 1.00 0.00 O ATOM 0 H SER A 3 -7.283 -10.104 -24.340 1.00 0.00 H new ATOM 0 HA SER A 3 -8.215 -9.065 -21.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.004 -10.733 -21.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.386 -9.710 -22.836 1.00 0.00 H new ATOM 0 HG SER A 3 -10.647 -11.973 -23.328 1.00 0.00 H new ATOM 38 N ARG A 4 -6.054 -10.900 -22.360 1.00 0.00 N ATOM 39 CA ARG A 4 -5.064 -11.929 -21.933 1.00 0.00 C ATOM 40 C ARG A 4 -4.756 -11.739 -20.448 1.00 0.00 C ATOM 41 O ARG A 4 -4.786 -10.639 -19.933 1.00 0.00 O ATOM 42 CB ARG A 4 -3.778 -11.772 -22.748 1.00 0.00 C ATOM 43 CG ARG A 4 -2.770 -12.848 -22.331 1.00 0.00 C ATOM 44 CD ARG A 4 -1.520 -12.759 -23.210 1.00 0.00 C ATOM 45 NE ARG A 4 -1.906 -12.663 -24.657 1.00 0.00 N ATOM 46 CZ ARG A 4 -2.651 -13.571 -25.232 1.00 0.00 C ATOM 47 NH1 ARG A 4 -2.942 -14.681 -24.613 1.00 0.00 N ATOM 48 NH2 ARG A 4 -3.062 -13.388 -26.459 1.00 0.00 N ATOM 0 H ARG A 4 -5.678 -10.151 -22.941 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.474 -12.925 -22.099 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.997 -11.858 -23.812 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.354 -10.781 -22.589 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.499 -12.718 -21.283 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.221 -13.836 -22.423 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.929 -11.889 -22.926 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.893 -13.636 -23.051 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.579 -11.869 -25.207 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.588 -14.848 -23.671 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.524 -15.383 -25.071 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.801 -12.540 -26.963 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.643 -14.093 -26.913 1.00 0.00 H new ATOM 62 N VAL A 5 -4.457 -12.802 -19.750 1.00 0.00 N ATOM 63 CA VAL A 5 -4.147 -12.666 -18.299 1.00 0.00 C ATOM 64 C VAL A 5 -2.851 -11.874 -18.129 1.00 0.00 C ATOM 65 O VAL A 5 -1.767 -12.426 -18.144 1.00 0.00 O ATOM 66 CB VAL A 5 -3.984 -14.060 -17.684 1.00 0.00 C ATOM 67 CG1 VAL A 5 -3.811 -13.934 -16.169 1.00 0.00 C ATOM 68 CG2 VAL A 5 -5.230 -14.898 -17.985 1.00 0.00 C ATOM 0 H VAL A 5 -4.414 -13.752 -20.119 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.959 -12.140 -17.797 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.106 -14.544 -18.111 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.695 -14.926 -15.732 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.926 -13.336 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.689 -13.450 -15.742 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.116 -15.890 -17.548 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.107 -14.412 -17.558 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.355 -14.989 -19.064 1.00 0.00 H new ATOM 78 N LEU A 6 -2.960 -10.581 -17.954 1.00 0.00 N ATOM 79 CA LEU A 6 -1.752 -9.716 -17.765 1.00 0.00 C ATOM 80 C LEU A 6 -1.882 -9.010 -16.423 1.00 0.00 C ATOM 81 O LEU A 6 -1.014 -9.083 -15.576 1.00 0.00 O ATOM 82 CB LEU A 6 -1.682 -8.671 -18.886 1.00 0.00 C ATOM 83 CG LEU A 6 -1.321 -9.348 -20.225 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.778 -8.463 -21.387 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.199 -9.556 -20.328 1.00 0.00 C ATOM 0 H LEU A 6 -3.848 -10.079 -17.934 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.847 -10.323 -17.792 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.640 -8.159 -18.976 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.937 -7.914 -18.641 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.821 -10.315 -20.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.522 -8.942 -22.332 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.857 -8.320 -21.333 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.280 -7.495 -21.325 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.437 -10.034 -21.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.703 -8.591 -20.271 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.536 -10.190 -19.508 1.00 0.00 H new ATOM 97 N HIS A 7 -2.979 -8.330 -16.225 1.00 0.00 N ATOM 98 CA HIS A 7 -3.206 -7.611 -14.944 1.00 0.00 C ATOM 99 C HIS A 7 -4.695 -7.662 -14.604 1.00 0.00 C ATOM 100 O HIS A 7 -5.397 -6.679 -14.713 1.00 0.00 O ATOM 101 CB HIS A 7 -2.764 -6.153 -15.089 1.00 0.00 C ATOM 102 CG HIS A 7 -1.317 -6.107 -15.499 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.290 -6.411 -14.620 1.00 0.00 N ATOM 104 CD2 HIS A 7 -0.710 -5.792 -16.690 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.869 -6.274 -15.288 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.670 -5.899 -16.555 1.00 0.00 N ATOM 0 H HIS A 7 -3.734 -8.243 -16.905 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.629 -8.083 -14.149 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.380 -5.647 -15.832 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.903 -5.624 -14.146 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.394 -6.688 -13.644 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.226 -5.505 -17.594 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.843 -6.446 -14.853 1.00 0.00 H new ATOM 114 N VAL A 8 -5.182 -8.795 -14.179 1.00 0.00 N ATOM 115 CA VAL A 8 -6.622 -8.891 -13.820 1.00 0.00 C ATOM 116 C VAL A 8 -6.816 -8.070 -12.550 1.00 0.00 C ATOM 117 O VAL A 8 -5.859 -7.824 -11.844 1.00 0.00 O ATOM 118 CB VAL A 8 -6.986 -10.357 -13.562 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.506 -10.510 -13.547 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.401 -11.231 -14.674 1.00 0.00 C ATOM 0 H VAL A 8 -4.646 -9.655 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.259 -8.518 -14.622 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.578 -10.667 -12.600 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.765 -11.553 -13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.927 -9.887 -12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.912 -10.199 -14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.660 -12.274 -14.491 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.810 -10.919 -15.635 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.316 -11.123 -14.689 1.00 0.00 H new ATOM 130 N VAL A 9 -8.013 -7.614 -12.237 1.00 0.00 N ATOM 131 CA VAL A 9 -8.155 -6.786 -10.998 1.00 0.00 C ATOM 132 C VAL A 9 -9.497 -7.033 -10.309 1.00 0.00 C ATOM 133 O VAL A 9 -10.549 -6.996 -10.918 1.00 0.00 O ATOM 134 CB VAL A 9 -8.018 -5.291 -11.354 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.828 -5.082 -12.295 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.290 -4.809 -12.057 1.00 0.00 C ATOM 0 H VAL A 9 -8.869 -7.774 -12.769 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.364 -7.076 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.863 -4.726 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.740 -4.024 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.914 -5.419 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.982 -5.655 -13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.190 -3.753 -12.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.442 -5.385 -12.970 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.145 -4.946 -11.395 1.00 0.00 H new ATOM 146 N GLN A 10 -9.454 -7.262 -9.023 1.00 0.00 N ATOM 147 CA GLN A 10 -10.696 -7.492 -8.234 1.00 0.00 C ATOM 148 C GLN A 10 -11.076 -6.199 -7.510 1.00 0.00 C ATOM 149 O GLN A 10 -10.268 -5.586 -6.841 1.00 0.00 O ATOM 150 CB GLN A 10 -10.454 -8.597 -7.204 1.00 0.00 C ATOM 151 CG GLN A 10 -10.320 -9.945 -7.914 1.00 0.00 C ATOM 152 CD GLN A 10 -10.061 -11.043 -6.881 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.112 -10.971 -6.126 1.00 0.00 O ATOM 154 NE2 GLN A 10 -10.872 -12.064 -6.812 1.00 0.00 N ATOM 0 H GLN A 10 -8.593 -7.300 -8.478 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.502 -7.793 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.550 -8.384 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.279 -8.631 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.229 -10.165 -8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.503 -9.909 -8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.669 -12.126 -7.445 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.708 -12.800 -6.125 1.00 0.00 H new ATOM 163 N THR A 11 -12.303 -5.780 -7.644 1.00 0.00 N ATOM 164 CA THR A 11 -12.754 -4.527 -6.976 1.00 0.00 C ATOM 165 C THR A 11 -12.677 -4.669 -5.470 1.00 0.00 C ATOM 166 O THR A 11 -12.758 -5.745 -4.910 1.00 0.00 O ATOM 167 CB THR A 11 -14.196 -4.250 -7.366 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.310 -4.264 -8.779 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.656 -2.890 -6.817 1.00 0.00 C ATOM 0 H THR A 11 -13.019 -6.256 -8.193 1.00 0.00 H new ATOM 0 HA THR A 11 -12.106 -3.709 -7.291 1.00 0.00 H new ATOM 0 HB THR A 11 -14.833 -5.024 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.624 -3.390 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.691 -2.712 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.580 -2.892 -5.730 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.024 -2.101 -7.224 1.00 0.00 H new ATOM 177 N LEU A 12 -12.537 -3.558 -4.822 1.00 5.40 N ATOM 178 CA LEU A 12 -12.462 -3.517 -3.334 1.00 9.02 C ATOM 179 C LEU A 12 -13.703 -2.775 -2.840 1.00 10.54 C ATOM 180 O LEU A 12 -14.063 -2.852 -1.681 1.00 10.21 O ATOM 181 CB LEU A 12 -11.203 -2.727 -2.885 1.00 7.97 C ATOM 182 CG LEU A 12 -9.830 -3.401 -3.268 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.682 -2.442 -2.937 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.549 -4.721 -2.532 1.00 6.66 C ATOM 0 H LEU A 12 -12.469 -2.644 -5.270 1.00 5.40 H new ATOM 0 HA LEU A 12 -12.408 -4.528 -2.930 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -11.239 -1.731 -3.327 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -11.239 -2.597 -1.803 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.900 -3.622 -4.333 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.732 -2.907 -3.201 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.804 -1.519 -3.503 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.692 -2.217 -1.870 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.586 -5.118 -2.853 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -9.528 -4.541 -1.457 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.334 -5.441 -2.764 1.00 6.66 H new ATOM 196 N TYR A 13 -14.362 -2.047 -3.709 1.00 12.19 N ATOM 197 CA TYR A 13 -15.585 -1.294 -3.268 1.00 12.32 C ATOM 198 C TYR A 13 -16.596 -1.157 -4.433 1.00 14.17 C ATOM 199 O TYR A 13 -16.183 -0.992 -5.566 1.00 14.79 O ATOM 200 CB TYR A 13 -15.168 0.107 -2.808 1.00 14.83 C ATOM 201 CG TYR A 13 -13.916 0.010 -1.965 1.00 15.75 C ATOM 202 CD1 TYR A 13 -14.002 -0.399 -0.628 1.00 18.39 C ATOM 203 CD2 TYR A 13 -12.671 0.334 -2.518 1.00 10.85 C ATOM 204 CE1 TYR A 13 -12.844 -0.484 0.154 1.00 12.56 C ATOM 205 CE2 TYR A 13 -11.513 0.247 -1.736 1.00 10.94 C ATOM 206 CZ TYR A 13 -11.600 -0.163 -0.400 1.00 12.35 C ATOM 207 OH TYR A 13 -10.458 -0.248 0.372 1.00 12.20 O ATOM 0 H TYR A 13 -14.113 -1.940 -4.692 1.00 12.19 H new ATOM 0 HA TYR A 13 -16.058 -1.842 -2.453 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.989 0.747 -3.672 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.972 0.567 -2.233 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.962 -0.649 -0.200 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -12.604 0.651 -3.548 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -12.911 -0.797 1.185 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -10.553 0.496 -2.163 1.00 10.94 H new ATOM 0 HH TYR A 13 -9.680 0.008 -0.166 1.00 12.20 H new ATOM 217 N PRO A 14 -17.899 -1.197 -4.143 1.00 0.00 N ATOM 218 CA PRO A 14 -18.931 -1.038 -5.198 1.00 0.00 C ATOM 219 C PRO A 14 -18.973 0.433 -5.643 1.00 0.00 C ATOM 220 O PRO A 14 -19.795 1.204 -5.191 1.00 0.00 O ATOM 221 CB PRO A 14 -20.254 -1.428 -4.505 1.00 0.00 C ATOM 222 CG PRO A 14 -19.991 -1.386 -2.976 1.00 0.00 C ATOM 223 CD PRO A 14 -18.458 -1.403 -2.779 1.00 0.00 C ATOM 0 HA PRO A 14 -18.739 -1.645 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -21.052 -0.737 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.574 -2.423 -4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -20.426 -0.489 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.453 -2.241 -2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.138 -0.615 -2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.124 -2.349 -2.353 1.00 0.00 H new ATOM 231 N PHE A 15 -18.084 0.832 -6.504 1.00 0.00 N ATOM 232 CA PHE A 15 -18.069 2.257 -6.952 1.00 0.00 C ATOM 233 C PHE A 15 -19.257 2.555 -7.862 1.00 0.00 C ATOM 234 O PHE A 15 -19.967 1.670 -8.294 1.00 0.00 O ATOM 235 CB PHE A 15 -16.785 2.545 -7.722 1.00 0.00 C ATOM 236 CG PHE A 15 -16.631 4.038 -7.969 1.00 0.00 C ATOM 237 CD1 PHE A 15 -16.619 4.949 -6.898 1.00 0.00 C ATOM 238 CD2 PHE A 15 -16.496 4.518 -9.284 1.00 0.00 C ATOM 239 CE1 PHE A 15 -16.474 6.318 -7.141 1.00 0.00 C ATOM 240 CE2 PHE A 15 -16.350 5.890 -9.519 1.00 0.00 C ATOM 241 CZ PHE A 15 -16.339 6.789 -8.451 1.00 0.00 C ATOM 0 H PHE A 15 -17.366 0.238 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 15 -18.128 2.888 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.927 2.174 -7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.798 2.013 -8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.722 4.590 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.505 3.827 -10.114 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.466 7.014 -6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -16.245 6.255 -10.530 1.00 0.00 H new ATOM 0 HZ PHE A 15 -16.226 7.847 -8.636 1.00 0.00 H new ATOM 251 N SER A 16 -19.463 3.811 -8.158 1.00 0.00 N ATOM 252 CA SER A 16 -20.593 4.211 -9.052 1.00 0.00 C ATOM 253 C SER A 16 -20.114 5.279 -10.030 1.00 0.00 C ATOM 254 O SER A 16 -19.824 6.399 -9.662 1.00 0.00 O ATOM 255 CB SER A 16 -21.744 4.762 -8.210 1.00 0.00 C ATOM 256 OG SER A 16 -22.327 3.703 -7.460 1.00 0.00 O ATOM 0 H SER A 16 -18.893 4.585 -7.816 1.00 0.00 H new ATOM 0 HA SER A 16 -20.941 3.341 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.379 5.540 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.493 5.222 -8.854 1.00 0.00 H new ATOM 0 HG SER A 16 -23.064 4.053 -6.918 1.00 0.00 H new ATOM 262 N SER A 17 -20.030 4.923 -11.281 1.00 0.00 N ATOM 263 CA SER A 17 -19.571 5.878 -12.329 1.00 0.00 C ATOM 264 C SER A 17 -20.519 5.769 -13.522 1.00 0.00 C ATOM 265 O SER A 17 -20.550 4.765 -14.205 1.00 0.00 O ATOM 266 CB SER A 17 -18.135 5.506 -12.721 1.00 0.00 C ATOM 267 OG SER A 17 -17.409 6.691 -13.005 1.00 0.00 O ATOM 0 H SER A 17 -20.264 3.993 -11.628 1.00 0.00 H new ATOM 0 HA SER A 17 -19.579 6.907 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.655 4.956 -11.912 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.141 4.851 -13.592 1.00 0.00 H new ATOM 0 HG SER A 17 -16.448 6.509 -12.940 1.00 0.00 H new ATOM 273 N VAL A 18 -21.295 6.796 -13.783 1.00 0.00 N ATOM 274 CA VAL A 18 -22.244 6.753 -14.922 1.00 0.00 C ATOM 275 C VAL A 18 -22.078 8.013 -15.758 1.00 0.00 C ATOM 276 O VAL A 18 -22.681 9.042 -15.527 1.00 0.00 O ATOM 277 CB VAL A 18 -23.678 6.678 -14.378 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.808 5.482 -13.431 1.00 0.00 C ATOM 279 CG2 VAL A 18 -24.003 7.965 -13.613 1.00 0.00 C ATOM 0 H VAL A 18 -21.305 7.664 -13.247 1.00 0.00 H new ATOM 0 HA VAL A 18 -22.044 5.879 -15.541 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.372 6.561 -15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.827 5.431 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.578 4.564 -13.971 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.112 5.598 -12.600 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -25.021 7.912 -13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.306 8.081 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.914 8.819 -14.284 1.00 0.00 H new ATOM 289 N THR A 19 -21.279 7.886 -16.752 1.00 38.32 N ATOM 290 CA THR A 19 -21.024 9.001 -17.714 1.00 37.06 C ATOM 291 C THR A 19 -20.844 8.386 -19.092 1.00 36.60 C ATOM 292 O THR A 19 -21.345 7.318 -19.387 1.00 36.42 O ATOM 293 CB THR A 19 -19.745 9.781 -17.329 1.00 37.05 C ATOM 294 OG1 THR A 19 -19.577 9.739 -15.920 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.864 11.244 -17.778 1.00 37.86 C ATOM 0 H THR A 19 -20.765 7.030 -16.959 1.00 38.32 H new ATOM 0 HA THR A 19 -21.861 9.699 -17.699 1.00 37.06 H new ATOM 0 HB THR A 19 -18.887 9.323 -17.821 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.983 10.466 -15.640 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.958 11.784 -17.502 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.995 11.283 -18.859 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.724 11.705 -17.292 1.00 37.86 H new ATOM 303 N GLU A 20 -20.100 9.037 -19.917 1.00 36.33 N ATOM 304 CA GLU A 20 -19.827 8.530 -21.238 1.00 36.39 C ATOM 305 C GLU A 20 -18.676 7.519 -21.100 1.00 30.94 C ATOM 306 O GLU A 20 -18.768 6.394 -21.550 1.00 31.73 O ATOM 307 CB GLU A 20 -19.485 9.762 -22.084 1.00 41.00 C ATOM 308 CG GLU A 20 -20.706 10.595 -22.236 1.00 49.07 C ATOM 309 CD GLU A 20 -20.382 11.880 -23.001 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.235 12.045 -23.383 1.00 54.38 O ATOM 311 OE2 GLU A 20 -21.286 12.675 -23.193 1.00 55.13 O ATOM 0 H GLU A 20 -19.660 9.933 -19.707 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.652 8.004 -21.718 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.692 10.338 -21.607 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -19.113 9.456 -23.062 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.474 10.032 -22.766 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -21.111 10.841 -21.254 1.00 49.07 H new ATOM 318 N GLU A 21 -17.581 7.933 -20.515 1.00 0.00 N ATOM 319 CA GLU A 21 -16.404 7.061 -20.369 1.00 0.00 C ATOM 320 C GLU A 21 -16.209 6.649 -18.892 1.00 0.00 C ATOM 321 O GLU A 21 -15.100 6.416 -18.455 1.00 0.00 O ATOM 322 CB GLU A 21 -15.224 7.902 -20.858 1.00 0.00 C ATOM 323 CG GLU A 21 -15.050 9.098 -19.937 1.00 0.00 C ATOM 324 CD GLU A 21 -13.922 9.999 -20.451 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.975 9.469 -21.005 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.026 11.201 -20.277 1.00 0.00 O ATOM 0 H GLU A 21 -17.463 8.868 -20.125 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.508 6.136 -20.936 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.314 7.302 -20.871 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.399 8.237 -21.880 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.981 9.663 -19.882 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.823 8.759 -18.926 1.00 0.00 H new ATOM 333 N GLU A 22 -17.267 6.569 -18.122 1.00 0.00 N ATOM 334 CA GLU A 22 -17.127 6.187 -16.672 1.00 0.00 C ATOM 335 C GLU A 22 -17.488 4.697 -16.488 1.00 0.00 C ATOM 336 O GLU A 22 -18.263 4.140 -17.241 1.00 0.00 O ATOM 337 CB GLU A 22 -18.065 7.095 -15.844 1.00 0.00 C ATOM 338 CG GLU A 22 -17.276 8.264 -15.217 1.00 0.00 C ATOM 339 CD GLU A 22 -16.699 9.147 -16.323 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.768 8.743 -17.472 1.00 0.00 O ATOM 341 OE2 GLU A 22 -16.195 10.211 -16.003 1.00 0.00 O ATOM 0 H GLU A 22 -18.222 6.751 -18.430 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.100 6.323 -16.333 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.858 7.485 -16.482 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.545 6.511 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.929 8.852 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.472 7.878 -14.590 1.00 0.00 H new ATOM 348 N LEU A 23 -16.898 4.045 -15.501 1.00 11.68 N ATOM 349 CA LEU A 23 -17.162 2.577 -15.266 1.00 7.71 C ATOM 350 C LEU A 23 -17.945 2.367 -13.960 1.00 8.71 C ATOM 351 O LEU A 23 -17.414 2.543 -12.883 1.00 10.83 O ATOM 352 CB LEU A 23 -15.802 1.847 -15.139 1.00 7.16 C ATOM 353 CG LEU A 23 -15.916 0.311 -15.345 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.216 -0.258 -14.773 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.834 -0.034 -16.826 1.00 2.00 C ATOM 0 H LEU A 23 -16.242 4.469 -14.845 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.746 2.186 -16.099 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -15.107 2.256 -15.872 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.380 2.046 -14.154 1.00 7.16 H new ATOM 0 HG LEU A 23 -15.082 -0.139 -14.807 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.248 -1.334 -14.942 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.261 -0.058 -13.703 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -18.067 0.212 -15.266 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.915 -1.113 -16.953 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.648 0.457 -17.360 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.880 0.308 -17.227 1.00 2.00 H new ATOM 367 N ASN A 24 -19.180 1.947 -14.040 1.00 0.00 N ATOM 368 CA ASN A 24 -19.962 1.669 -12.794 1.00 0.00 C ATOM 369 C ASN A 24 -19.826 0.173 -12.522 1.00 0.00 C ATOM 370 O ASN A 24 -20.057 -0.631 -13.404 1.00 0.00 O ATOM 371 CB ASN A 24 -21.443 2.022 -13.006 1.00 0.00 C ATOM 372 CG ASN A 24 -22.298 1.404 -11.894 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.397 0.955 -12.137 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.831 1.364 -10.676 1.00 0.00 N ATOM 0 H ASN A 24 -19.683 1.784 -14.912 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.591 2.264 -11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.569 3.105 -13.013 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.776 1.656 -13.977 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.391 0.955 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.906 1.742 -10.472 1.00 0.00 H new ATOM 381 N PHE A 25 -19.429 -0.234 -11.343 1.00 6.72 N ATOM 382 CA PHE A 25 -19.270 -1.694 -11.115 1.00 6.82 C ATOM 383 C PHE A 25 -19.465 -2.038 -9.649 1.00 7.56 C ATOM 384 O PHE A 25 -19.058 -1.316 -8.761 1.00 6.07 O ATOM 385 CB PHE A 25 -17.885 -2.150 -11.597 1.00 9.59 C ATOM 386 CG PHE A 25 -16.746 -1.371 -10.929 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.632 0.028 -11.061 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.766 -2.067 -10.210 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.559 0.704 -10.471 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.692 -1.386 -9.630 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.591 -0.002 -9.757 1.00 12.44 C ATOM 0 H PHE A 25 -19.214 0.368 -10.548 1.00 6.72 H new ATOM 0 HA PHE A 25 -20.034 -2.220 -11.687 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.764 -3.213 -11.390 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.821 -2.026 -12.678 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.375 0.579 -11.619 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.841 -3.139 -10.103 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.480 1.777 -10.569 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.939 -1.933 -9.082 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.764 0.523 -9.303 1.00 12.44 H new ATOM 401 N GLU A 26 -20.090 -3.155 -9.398 1.00 0.00 N ATOM 402 CA GLU A 26 -20.326 -3.584 -7.997 1.00 0.00 C ATOM 403 C GLU A 26 -19.081 -4.303 -7.504 1.00 0.00 C ATOM 404 O GLU A 26 -18.303 -4.819 -8.282 1.00 0.00 O ATOM 405 CB GLU A 26 -21.549 -4.516 -7.937 1.00 0.00 C ATOM 406 CG GLU A 26 -21.208 -5.903 -8.503 1.00 0.00 C ATOM 407 CD GLU A 26 -20.528 -5.755 -9.863 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.031 -4.996 -10.675 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.514 -6.400 -10.071 1.00 0.00 O ATOM 0 H GLU A 26 -20.449 -3.791 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.526 -2.721 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.888 -4.613 -6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.372 -4.080 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.552 -6.435 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.116 -6.498 -8.603 1.00 0.00 H new ATOM 416 N LYS A 27 -18.874 -4.333 -6.228 1.00 8.66 N ATOM 417 CA LYS A 27 -17.673 -5.008 -5.704 1.00 8.68 C ATOM 418 C LYS A 27 -17.633 -6.450 -6.211 1.00 6.65 C ATOM 419 O LYS A 27 -18.655 -7.075 -6.415 1.00 10.38 O ATOM 420 CB LYS A 27 -17.720 -4.953 -4.179 1.00 12.96 C ATOM 421 CG LYS A 27 -18.778 -5.933 -3.623 1.00 12.48 C ATOM 422 CD LYS A 27 -18.112 -7.250 -3.177 1.00 20.52 C ATOM 423 CE LYS A 27 -17.552 -7.098 -1.758 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.672 -7.158 -0.775 1.00 29.03 N ATOM 0 H LYS A 27 -19.486 -3.919 -5.525 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.766 -4.511 -6.049 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.740 -5.201 -3.772 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.952 -3.939 -3.855 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -19.297 -5.477 -2.780 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.529 -6.138 -4.386 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.838 -8.063 -3.206 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.311 -7.514 -3.867 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.831 -7.889 -1.553 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -17.021 -6.151 -1.664 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -18.292 -7.361 0.172 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -19.170 -6.245 -0.760 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -19.336 -7.910 -1.051 1.00 29.03 H new ATOM 438 N GLY A 28 -16.460 -6.975 -6.436 1.00 5.06 N ATOM 439 CA GLY A 28 -16.349 -8.368 -6.952 1.00 4.39 C ATOM 440 C GLY A 28 -16.485 -8.355 -8.479 1.00 6.18 C ATOM 441 O GLY A 28 -17.181 -9.170 -9.049 1.00 5.61 O ATOM 0 H GLY A 28 -15.571 -6.498 -6.284 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.390 -8.799 -6.664 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.125 -8.994 -6.512 1.00 4.39 H new ATOM 445 N GLU A 29 -15.826 -7.429 -9.137 1.00 7.06 N ATOM 446 CA GLU A 29 -15.911 -7.343 -10.634 1.00 6.19 C ATOM 447 C GLU A 29 -14.515 -7.531 -11.234 1.00 6.67 C ATOM 448 O GLU A 29 -13.640 -6.707 -11.059 1.00 8.12 O ATOM 449 CB GLU A 29 -16.433 -5.945 -11.025 1.00 6.64 C ATOM 450 CG GLU A 29 -16.945 -5.870 -12.497 1.00 9.52 C ATOM 451 CD GLU A 29 -16.495 -7.078 -13.334 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.168 -8.095 -13.281 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.495 -6.959 -14.016 1.00 8.99 O ATOM 0 H GLU A 29 -15.230 -6.726 -8.701 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.582 -8.116 -11.008 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.242 -5.665 -10.351 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.636 -5.215 -10.887 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.034 -5.815 -12.498 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.579 -4.954 -12.960 1.00 9.52 H new ATOM 460 N THR A 30 -14.309 -8.586 -11.964 1.00 0.00 N ATOM 461 CA THR A 30 -12.981 -8.800 -12.603 1.00 0.00 C ATOM 462 C THR A 30 -12.863 -7.812 -13.748 1.00 0.00 C ATOM 463 O THR A 30 -13.525 -7.967 -14.752 1.00 0.00 O ATOM 464 CB THR A 30 -12.942 -10.209 -13.199 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.507 -11.130 -12.277 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.498 -10.598 -13.498 1.00 0.00 C ATOM 0 H THR A 30 -15.002 -9.312 -12.148 1.00 0.00 H new ATOM 0 HA THR A 30 -12.179 -8.672 -11.876 1.00 0.00 H new ATOM 0 HB THR A 30 -13.517 -10.228 -14.125 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.483 -12.032 -12.660 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.472 -11.602 -13.922 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.071 -9.892 -14.210 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.918 -10.579 -12.576 1.00 0.00 H new ATOM 474 N MET A 31 -12.041 -6.805 -13.631 1.00 0.00 N ATOM 475 CA MET A 31 -11.928 -5.837 -14.757 1.00 0.00 C ATOM 476 C MET A 31 -10.630 -6.045 -15.510 1.00 0.00 C ATOM 477 O MET A 31 -9.561 -6.209 -14.957 1.00 0.00 O ATOM 478 CB MET A 31 -12.076 -4.399 -14.242 1.00 0.00 C ATOM 479 CG MET A 31 -13.562 -4.143 -13.856 1.00 0.00 C ATOM 480 SD MET A 31 -13.667 -3.592 -12.132 1.00 0.00 S ATOM 481 CE MET A 31 -13.176 -1.875 -12.425 1.00 0.00 C ATOM 0 H MET A 31 -11.453 -6.613 -12.820 1.00 0.00 H new ATOM 0 HA MET A 31 -12.740 -6.015 -15.462 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.431 -4.242 -13.377 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.760 -3.691 -15.008 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.993 -3.389 -14.515 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.144 -5.055 -13.991 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.762 -1.454 -11.509 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.423 -1.841 -13.213 1.00 0.00 H new ATOM 0 HE3 MET A 31 -14.047 -1.295 -12.730 1.00 0.00 H new ATOM 491 N GLU A 32 -10.770 -6.065 -16.792 1.00 0.00 N ATOM 492 CA GLU A 32 -9.643 -6.285 -17.715 1.00 0.00 C ATOM 493 C GLU A 32 -9.063 -4.914 -18.063 1.00 0.00 C ATOM 494 O GLU A 32 -9.635 -4.156 -18.821 1.00 0.00 O ATOM 495 CB GLU A 32 -10.195 -7.019 -18.965 1.00 0.00 C ATOM 496 CG GLU A 32 -11.747 -7.023 -18.936 1.00 0.00 C ATOM 497 CD GLU A 32 -12.274 -7.503 -20.290 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.504 -7.502 -21.235 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.437 -7.865 -20.356 1.00 0.00 O ATOM 0 H GLU A 32 -11.666 -5.931 -17.260 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.852 -6.896 -17.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.841 -6.527 -19.871 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.821 -8.042 -18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.106 -7.676 -18.140 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.121 -6.022 -18.721 1.00 0.00 H new ATOM 506 N VAL A 33 -7.955 -4.573 -17.471 1.00 0.00 N ATOM 507 CA VAL A 33 -7.362 -3.231 -17.714 1.00 0.00 C ATOM 508 C VAL A 33 -6.956 -3.055 -19.184 1.00 0.00 C ATOM 509 O VAL A 33 -5.850 -3.384 -19.571 1.00 0.00 O ATOM 510 CB VAL A 33 -6.129 -3.053 -16.821 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.818 -1.561 -16.666 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.409 -3.656 -15.441 1.00 0.00 C ATOM 0 H VAL A 33 -7.433 -5.168 -16.827 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.113 -2.478 -17.477 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.277 -3.557 -17.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.941 -1.436 -16.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.621 -1.127 -17.646 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.671 -1.057 -16.211 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.533 -3.530 -14.805 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.262 -3.150 -14.989 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.632 -4.718 -15.546 1.00 0.00 H new ATOM 522 N ILE A 34 -7.826 -2.521 -20.007 1.00 0.00 N ATOM 523 CA ILE A 34 -7.450 -2.314 -21.443 1.00 0.00 C ATOM 524 C ILE A 34 -6.223 -1.388 -21.545 1.00 0.00 C ATOM 525 O ILE A 34 -5.273 -1.680 -22.244 1.00 0.00 O ATOM 526 CB ILE A 34 -8.599 -1.655 -22.231 1.00 0.00 C ATOM 527 CG1 ILE A 34 -9.780 -2.629 -22.357 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.094 -1.272 -23.637 1.00 0.00 C ATOM 529 CD1 ILE A 34 -10.982 -1.931 -23.020 1.00 0.00 C ATOM 0 H ILE A 34 -8.768 -2.223 -19.753 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.230 -3.296 -21.863 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.933 -0.762 -21.702 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.483 -3.496 -22.947 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.063 -2.997 -21.371 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.903 -0.805 -24.199 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.263 -0.572 -23.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.759 -2.168 -24.160 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.811 -2.634 -23.102 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.288 -1.079 -22.413 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.699 -1.586 -24.014 1.00 0.00 H new ATOM 541 N GLU A 35 -6.253 -0.252 -20.888 1.00 0.00 N ATOM 542 CA GLU A 35 -5.107 0.706 -20.992 1.00 0.00 C ATOM 543 C GLU A 35 -4.918 1.461 -19.693 1.00 0.00 C ATOM 544 O GLU A 35 -5.809 1.563 -18.875 1.00 0.00 O ATOM 545 CB GLU A 35 -5.387 1.707 -22.128 1.00 0.00 C ATOM 546 CG GLU A 35 -4.071 2.307 -22.636 1.00 0.00 C ATOM 547 CD GLU A 35 -3.349 1.286 -23.518 1.00 0.00 C ATOM 548 OE1 GLU A 35 -3.979 0.758 -24.417 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.175 1.049 -23.276 1.00 0.00 O ATOM 0 H GLU A 35 -7.019 0.052 -20.287 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.197 0.143 -21.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.907 1.206 -22.945 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.044 2.500 -21.771 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.269 3.217 -23.203 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.438 2.587 -21.794 1.00 0.00 H new ATOM 556 N LYS A 36 -3.727 1.968 -19.491 1.00 0.00 N ATOM 557 CA LYS A 36 -3.414 2.697 -18.235 1.00 0.00 C ATOM 558 C LYS A 36 -2.645 3.999 -18.535 1.00 0.00 C ATOM 559 O LYS A 36 -1.510 4.142 -18.126 1.00 0.00 O ATOM 560 CB LYS A 36 -2.532 1.772 -17.369 1.00 0.00 C ATOM 561 CG LYS A 36 -3.002 0.301 -17.492 1.00 0.00 C ATOM 562 CD LYS A 36 -2.240 -0.429 -18.613 1.00 0.00 C ATOM 563 CE LYS A 36 -2.975 -1.726 -18.988 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.378 -1.433 -19.389 1.00 0.00 N ATOM 0 H LYS A 36 -2.954 1.904 -20.153 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.338 2.961 -17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.491 1.855 -17.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.577 2.088 -16.327 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.845 -0.215 -16.545 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.072 0.273 -17.697 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.155 0.217 -19.487 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.226 -0.657 -18.286 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.453 -2.223 -19.806 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.968 -2.412 -18.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.997 -2.208 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.687 -0.544 -18.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.432 -1.343 -20.424 1.00 0.00 H new ATOM 578 N PRO A 37 -3.288 4.936 -19.204 1.00 0.00 N ATOM 579 CA PRO A 37 -2.667 6.231 -19.505 1.00 0.00 C ATOM 580 C PRO A 37 -2.637 7.073 -18.236 1.00 0.00 C ATOM 581 O PRO A 37 -3.311 6.790 -17.266 1.00 0.00 O ATOM 582 CB PRO A 37 -3.582 6.887 -20.551 1.00 0.00 C ATOM 583 CG PRO A 37 -4.900 6.083 -20.549 1.00 0.00 C ATOM 584 CD PRO A 37 -4.658 4.786 -19.734 1.00 0.00 C ATOM 0 HA PRO A 37 -1.645 6.132 -19.871 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.765 7.933 -20.304 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.118 6.869 -21.537 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.705 6.669 -20.106 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.204 5.844 -21.568 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.386 4.680 -18.930 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.746 3.900 -20.362 1.00 0.00 H new ATOM 592 N GLU A 38 -1.872 8.114 -18.251 1.00 0.00 N ATOM 593 CA GLU A 38 -1.800 9.004 -17.055 1.00 0.00 C ATOM 594 C GLU A 38 -2.836 10.115 -17.224 1.00 0.00 C ATOM 595 O GLU A 38 -3.591 10.404 -16.322 1.00 0.00 O ATOM 596 CB GLU A 38 -0.395 9.612 -16.957 1.00 0.00 C ATOM 597 CG GLU A 38 -0.213 10.318 -15.604 1.00 0.00 C ATOM 598 CD GLU A 38 -0.886 11.696 -15.628 1.00 0.00 C ATOM 599 OE1 GLU A 38 -1.259 12.140 -16.701 1.00 0.00 O ATOM 600 OE2 GLU A 38 -1.012 12.284 -14.567 1.00 0.00 O ATOM 0 H GLU A 38 -1.288 8.396 -19.038 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.004 8.439 -16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.356 8.830 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.241 10.322 -17.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.643 9.710 -14.808 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.849 10.428 -15.383 1.00 0.00 H new ATOM 607 N ASN A 39 -2.871 10.709 -18.395 1.00 0.00 N ATOM 608 CA ASN A 39 -3.847 11.801 -18.706 1.00 0.00 C ATOM 609 C ASN A 39 -3.680 12.952 -17.713 1.00 0.00 C ATOM 610 O ASN A 39 -3.366 14.065 -18.083 1.00 0.00 O ATOM 611 CB ASN A 39 -5.281 11.251 -18.639 1.00 0.00 C ATOM 612 CG ASN A 39 -5.605 10.493 -19.931 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.786 10.413 -20.825 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.775 9.930 -20.065 1.00 0.00 N ATOM 0 H ASN A 39 -2.247 10.475 -19.167 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.655 12.175 -19.712 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.386 10.588 -17.781 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.988 12.069 -18.499 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.002 9.423 -20.920 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.462 9.997 -19.314 1.00 0.00 H new ATOM 621 N ASP A 40 -3.855 12.665 -16.459 1.00 0.00 N ATOM 622 CA ASP A 40 -3.693 13.696 -15.391 1.00 0.00 C ATOM 623 C ASP A 40 -4.282 13.241 -14.028 1.00 0.00 C ATOM 624 O ASP A 40 -3.633 13.386 -13.012 1.00 0.00 O ATOM 625 CB ASP A 40 -4.268 15.086 -15.820 1.00 0.00 C ATOM 626 CG ASP A 40 -3.126 16.055 -16.161 1.00 0.00 C ATOM 627 OD1 ASP A 40 -2.124 15.597 -16.684 1.00 0.00 O ATOM 628 OD2 ASP A 40 -3.278 17.236 -15.896 1.00 0.00 O ATOM 0 H ASP A 40 -4.110 11.739 -16.116 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.619 13.815 -15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.922 14.965 -16.684 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.876 15.499 -15.015 1.00 0.00 H new ATOM 633 N PRO A 41 -5.472 12.725 -14.042 1.00 0.00 N ATOM 634 CA PRO A 41 -6.152 12.263 -12.821 1.00 0.00 C ATOM 635 C PRO A 41 -5.446 11.020 -12.265 1.00 0.00 C ATOM 636 O PRO A 41 -4.975 11.036 -11.149 1.00 0.00 O ATOM 637 CB PRO A 41 -7.590 11.929 -13.281 1.00 0.00 C ATOM 638 CG PRO A 41 -7.637 12.119 -14.826 1.00 0.00 C ATOM 639 CD PRO A 41 -6.226 12.563 -15.269 1.00 0.00 C ATOM 0 HA PRO A 41 -6.144 13.006 -12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.852 10.906 -13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.312 12.583 -12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.922 11.190 -15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.381 12.867 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.765 11.818 -15.918 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.266 13.496 -15.832 1.00 0.00 H new ATOM 647 N GLU A 42 -5.392 9.966 -13.068 1.00 0.00 N ATOM 648 CA GLU A 42 -4.738 8.650 -12.691 1.00 0.00 C ATOM 649 C GLU A 42 -5.705 7.499 -13.036 1.00 0.00 C ATOM 650 O GLU A 42 -5.484 6.358 -12.684 1.00 0.00 O ATOM 651 CB GLU A 42 -4.372 8.586 -11.190 1.00 0.00 C ATOM 652 CG GLU A 42 -3.586 7.297 -10.878 1.00 0.00 C ATOM 653 CD GLU A 42 -2.939 7.399 -9.493 1.00 0.00 C ATOM 654 OE1 GLU A 42 -3.651 7.701 -8.547 1.00 0.00 O ATOM 655 OE2 GLU A 42 -1.743 7.174 -9.400 1.00 0.00 O ATOM 0 H GLU A 42 -5.791 9.965 -14.007 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.809 8.560 -13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.776 9.457 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.279 8.620 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.254 6.436 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.819 7.137 -11.636 1.00 0.00 H new ATOM 662 N TRP A 43 -6.777 7.787 -13.729 1.00 14.29 N ATOM 663 CA TRP A 43 -7.753 6.714 -14.091 1.00 10.30 C ATOM 664 C TRP A 43 -7.163 5.793 -15.169 1.00 6.82 C ATOM 665 O TRP A 43 -6.169 6.105 -15.787 1.00 6.91 O ATOM 666 CB TRP A 43 -9.038 7.352 -14.613 1.00 13.39 C ATOM 667 CG TRP A 43 -9.467 8.465 -13.712 1.00 11.71 C ATOM 668 CD1 TRP A 43 -9.034 8.660 -12.446 1.00 13.93 C ATOM 669 CD2 TRP A 43 -10.417 9.535 -13.988 1.00 7.44 C ATOM 670 NE1 TRP A 43 -9.657 9.775 -11.929 1.00 6.63 N ATOM 671 CE2 TRP A 43 -10.514 10.352 -12.839 1.00 8.43 C ATOM 672 CE3 TRP A 43 -11.193 9.874 -15.109 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -11.349 11.460 -12.799 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -12.038 10.997 -15.074 1.00 2.36 C ATOM 675 CH2 TRP A 43 -12.116 11.789 -13.919 1.00 8.17 C ATOM 0 H TRP A 43 -7.019 8.721 -14.061 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.969 6.120 -13.203 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.879 7.732 -15.622 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.826 6.601 -14.675 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -8.317 8.043 -11.925 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -9.502 10.130 -10.986 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -11.140 9.269 -16.002 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -11.405 12.065 -11.906 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -12.630 11.251 -15.941 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -12.767 12.650 -13.896 1.00 8.17 H new ATOM 686 N TRP A 44 -7.782 4.651 -15.380 1.00 6.17 N ATOM 687 CA TRP A 44 -7.279 3.665 -16.396 1.00 5.58 C ATOM 688 C TRP A 44 -8.436 3.249 -17.312 1.00 6.91 C ATOM 689 O TRP A 44 -9.553 3.074 -16.863 1.00 8.86 O ATOM 690 CB TRP A 44 -6.819 2.379 -15.667 1.00 2.99 C ATOM 691 CG TRP A 44 -5.416 2.448 -15.112 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.523 3.466 -15.236 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.734 1.412 -14.339 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.354 3.113 -14.584 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.434 1.862 -14.022 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.121 0.138 -13.887 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.546 1.077 -13.283 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.232 -0.656 -13.144 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.948 -0.187 -12.844 1.00 11.72 C ATOM 0 H TRP A 44 -8.624 4.357 -14.885 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.466 4.122 -16.960 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.510 2.171 -14.850 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.882 1.540 -16.360 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.697 4.396 -15.757 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.530 3.711 -14.527 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.110 -0.233 -14.113 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.557 1.444 -13.053 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.541 -1.633 -12.803 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.268 -0.802 -12.273 1.00 11.72 H new ATOM 710 N LYS A 45 -8.178 3.009 -18.574 1.00 0.00 N ATOM 711 CA LYS A 45 -9.278 2.516 -19.443 1.00 0.00 C ATOM 712 C LYS A 45 -9.403 1.041 -19.133 1.00 0.00 C ATOM 713 O LYS A 45 -8.651 0.239 -19.647 1.00 0.00 O ATOM 714 CB LYS A 45 -8.950 2.667 -20.934 1.00 0.00 C ATOM 715 CG LYS A 45 -10.206 2.295 -21.775 1.00 0.00 C ATOM 716 CD LYS A 45 -9.921 2.503 -23.280 1.00 0.00 C ATOM 717 CE LYS A 45 -11.164 2.150 -24.108 1.00 0.00 C ATOM 718 NZ LYS A 45 -10.875 2.367 -25.553 1.00 0.00 N ATOM 0 H LYS A 45 -7.273 3.131 -19.028 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.188 3.085 -19.253 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.644 3.691 -21.149 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.114 2.021 -21.202 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.482 1.257 -21.590 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.053 2.910 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.635 3.539 -23.464 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.081 1.881 -23.588 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.447 1.112 -23.935 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.008 2.766 -23.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.717 2.128 -26.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.625 3.364 -25.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.081 1.761 -25.843 1.00 0.00 H new ATOM 732 N CYS A 46 -10.307 0.671 -18.277 1.00 0.00 N ATOM 733 CA CYS A 46 -10.439 -0.767 -17.912 1.00 0.00 C ATOM 734 C CYS A 46 -11.782 -1.300 -18.348 1.00 0.00 C ATOM 735 O CYS A 46 -12.822 -0.754 -18.035 1.00 0.00 O ATOM 736 CB CYS A 46 -10.297 -0.920 -16.395 1.00 0.00 C ATOM 737 SG CYS A 46 -11.797 -0.319 -15.580 1.00 0.00 S ATOM 0 H CYS A 46 -10.962 1.300 -17.812 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.656 -1.333 -18.417 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.126 -1.966 -16.139 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.431 -0.360 -16.043 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.685 -0.010 -16.478 1.00 0.00 H new ATOM 743 N LYS A 47 -11.767 -2.390 -19.045 1.00 0.00 N ATOM 744 CA LYS A 47 -13.036 -2.998 -19.476 1.00 0.00 C ATOM 745 C LYS A 47 -13.543 -3.813 -18.304 1.00 0.00 C ATOM 746 O LYS A 47 -12.744 -4.312 -17.539 1.00 0.00 O ATOM 747 CB LYS A 47 -12.785 -3.922 -20.669 1.00 0.00 C ATOM 748 CG LYS A 47 -14.002 -4.821 -20.915 1.00 0.00 C ATOM 749 CD LYS A 47 -13.899 -5.456 -22.304 1.00 0.00 C ATOM 750 CE LYS A 47 -15.156 -6.286 -22.576 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.190 -6.684 -24.012 1.00 0.00 N ATOM 0 H LYS A 47 -10.925 -2.887 -19.335 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.758 -2.238 -19.775 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.578 -3.328 -21.559 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.904 -4.536 -20.483 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.053 -5.598 -20.152 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.919 -4.237 -20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.789 -4.682 -23.063 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.013 -6.088 -22.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.163 -7.173 -21.942 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.046 -5.709 -22.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.044 -7.248 -24.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.203 -5.832 -24.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.347 -7.250 -24.235 1.00 0.00 H new ATOM 765 N ASN A 48 -14.833 -3.988 -18.129 1.00 0.00 N ATOM 766 CA ASN A 48 -15.262 -4.850 -16.967 1.00 0.00 C ATOM 767 C ASN A 48 -15.505 -6.257 -17.513 1.00 0.00 C ATOM 768 O ASN A 48 -16.170 -6.411 -18.509 1.00 0.00 O ATOM 769 CB ASN A 48 -16.487 -4.261 -16.215 1.00 0.00 C ATOM 770 CG ASN A 48 -17.839 -4.418 -16.930 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.725 -3.621 -16.706 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.081 -5.417 -17.722 1.00 0.00 N ATOM 0 H ASN A 48 -15.578 -3.596 -18.705 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.480 -4.885 -16.209 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.555 -4.738 -15.237 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.309 -3.200 -16.041 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.004 -5.521 -18.144 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.348 -6.098 -17.923 1.00 0.00 H new ATOM 779 N ALA A 49 -14.931 -7.304 -16.936 1.00 0.00 N ATOM 780 CA ALA A 49 -15.173 -8.645 -17.534 1.00 0.00 C ATOM 781 C ALA A 49 -16.679 -8.823 -17.698 1.00 0.00 C ATOM 782 O ALA A 49 -17.142 -9.631 -18.476 1.00 0.00 O ATOM 783 CB ALA A 49 -14.618 -9.746 -16.631 1.00 0.00 C ATOM 0 H ALA A 49 -14.332 -7.279 -16.111 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.670 -8.715 -18.499 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.805 -10.719 -17.086 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.545 -9.605 -16.504 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.108 -9.700 -15.658 1.00 0.00 H new ATOM 789 N ARG A 50 -17.449 -8.031 -16.993 1.00 0.00 N ATOM 790 CA ARG A 50 -18.922 -8.119 -17.143 1.00 0.00 C ATOM 791 C ARG A 50 -19.231 -7.699 -18.577 1.00 0.00 C ATOM 792 O ARG A 50 -20.346 -7.788 -19.053 1.00 0.00 O ATOM 793 CB ARG A 50 -19.619 -7.208 -16.103 1.00 0.00 C ATOM 794 CG ARG A 50 -20.093 -8.049 -14.891 1.00 0.00 C ATOM 795 CD ARG A 50 -20.351 -7.159 -13.642 1.00 0.00 C ATOM 796 NE ARG A 50 -21.737 -7.386 -13.102 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.802 -7.298 -13.861 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.696 -6.925 -15.104 1.00 0.00 N ATOM 799 NH2 ARG A 50 -23.978 -7.558 -13.360 1.00 0.00 N ATOM 0 H ARG A 50 -17.118 -7.334 -16.326 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.294 -9.127 -16.961 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.931 -6.431 -15.770 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.470 -6.705 -16.561 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.006 -8.583 -15.153 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.341 -8.801 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.614 -7.384 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.226 -6.109 -13.906 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.851 -7.615 -12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.780 -6.699 -15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.529 -6.859 -15.689 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.067 -7.829 -12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.809 -7.491 -13.948 1.00 0.00 H new ATOM 813 N GLY A 51 -18.206 -7.288 -19.273 1.00 8.07 N ATOM 814 CA GLY A 51 -18.333 -6.896 -20.697 1.00 7.79 C ATOM 815 C GLY A 51 -18.569 -5.388 -20.867 1.00 9.08 C ATOM 816 O GLY A 51 -19.259 -4.983 -21.784 1.00 14.41 O ATOM 0 H GLY A 51 -17.261 -7.207 -18.898 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.428 -7.183 -21.233 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.159 -7.444 -21.150 1.00 7.79 H new ATOM 820 N GLN A 52 -18.010 -4.535 -20.022 1.00 0.00 N ATOM 821 CA GLN A 52 -18.236 -3.049 -20.213 1.00 0.00 C ATOM 822 C GLN A 52 -16.956 -2.248 -19.997 1.00 0.00 C ATOM 823 O GLN A 52 -15.997 -2.744 -19.485 1.00 0.00 O ATOM 824 CB GLN A 52 -19.415 -2.566 -19.316 1.00 0.00 C ATOM 825 CG GLN A 52 -18.998 -1.430 -18.367 1.00 0.00 C ATOM 826 CD GLN A 52 -20.136 -1.117 -17.415 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.572 -1.960 -16.658 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.637 0.081 -17.428 1.00 0.00 N ATOM 0 H GLN A 52 -17.423 -4.793 -19.229 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.521 -2.870 -21.250 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.234 -2.225 -19.949 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.791 -3.405 -18.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.110 -1.720 -17.805 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.736 -0.541 -18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.264 0.783 -18.067 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.403 0.320 -16.799 1.00 0.00 H new ATOM 837 N VAL A 53 -16.929 -1.005 -20.439 1.00 0.00 N ATOM 838 CA VAL A 53 -15.680 -0.186 -20.299 1.00 0.00 C ATOM 839 C VAL A 53 -15.955 1.210 -19.744 1.00 0.00 C ATOM 840 O VAL A 53 -17.030 1.762 -19.877 1.00 0.00 O ATOM 841 CB VAL A 53 -15.011 -0.045 -21.677 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.550 0.374 -21.505 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.081 -1.373 -22.440 1.00 0.00 C ATOM 0 H VAL A 53 -17.712 -0.529 -20.886 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.029 -0.704 -19.594 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.541 0.718 -22.247 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.082 0.472 -22.484 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.505 1.330 -20.984 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.021 -0.381 -20.924 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.604 -1.259 -23.413 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.565 -2.147 -21.872 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.124 -1.659 -22.578 1.00 0.00 H new ATOM 853 N GLY A 54 -14.950 1.771 -19.122 1.00 3.62 N ATOM 854 CA GLY A 54 -15.065 3.136 -18.530 1.00 3.70 C ATOM 855 C GLY A 54 -13.806 3.438 -17.706 1.00 4.69 C ATOM 856 O GLY A 54 -13.124 2.543 -17.245 1.00 7.25 O ATOM 0 H GLY A 54 -14.038 1.331 -18.998 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.184 3.878 -19.319 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.951 3.198 -17.898 1.00 3.70 H new ATOM 860 N LEU A 55 -13.500 4.691 -17.506 1.00 0.00 N ATOM 861 CA LEU A 55 -12.298 5.058 -16.698 1.00 0.00 C ATOM 862 C LEU A 55 -12.585 4.757 -15.222 1.00 0.00 C ATOM 863 O LEU A 55 -13.719 4.794 -14.786 1.00 0.00 O ATOM 864 CB LEU A 55 -12.019 6.561 -16.895 1.00 0.00 C ATOM 865 CG LEU A 55 -11.092 6.786 -18.105 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.687 6.178 -17.853 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.733 6.149 -19.347 1.00 0.00 C ATOM 0 H LEU A 55 -14.033 5.482 -17.869 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.426 4.485 -17.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.958 7.094 -17.045 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.559 6.972 -15.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.964 7.857 -18.261 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.054 6.352 -18.723 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.238 6.649 -16.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.780 5.106 -17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.085 6.302 -20.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.867 5.080 -19.179 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.702 6.612 -19.534 1.00 0.00 H new ATOM 879 N VAL A 56 -11.575 4.444 -14.446 1.00 0.00 N ATOM 880 CA VAL A 56 -11.817 4.125 -13.003 1.00 0.00 C ATOM 881 C VAL A 56 -10.519 4.385 -12.197 1.00 0.00 C ATOM 882 O VAL A 56 -9.460 3.997 -12.649 1.00 0.00 O ATOM 883 CB VAL A 56 -12.212 2.636 -12.899 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.976 1.736 -13.026 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.890 2.362 -11.558 1.00 0.00 C ATOM 0 H VAL A 56 -10.601 4.396 -14.746 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.614 4.750 -12.600 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.902 2.414 -13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.277 0.691 -12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.499 1.907 -13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.272 1.970 -12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.164 1.309 -11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -12.204 2.606 -10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.787 2.975 -11.472 1.00 0.00 H new ATOM 895 N PRO A 57 -10.602 5.006 -11.026 1.00 3.33 N ATOM 896 CA PRO A 57 -9.390 5.243 -10.225 1.00 2.75 C ATOM 897 C PRO A 57 -8.623 3.923 -10.075 1.00 4.32 C ATOM 898 O PRO A 57 -9.089 2.983 -9.463 1.00 4.76 O ATOM 899 CB PRO A 57 -9.903 5.779 -8.866 1.00 2.92 C ATOM 900 CG PRO A 57 -11.435 6.015 -9.011 1.00 3.30 C ATOM 901 CD PRO A 57 -11.854 5.507 -10.412 1.00 2.53 C ATOM 0 HA PRO A 57 -8.700 5.954 -10.679 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -9.698 5.065 -8.069 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -9.394 6.706 -8.602 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.980 5.483 -8.231 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -11.672 7.073 -8.900 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -12.602 4.717 -10.339 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -12.293 6.307 -11.007 1.00 2.53 H new ATOM 909 N LYS A 58 -7.458 3.848 -10.655 1.00 0.00 N ATOM 910 CA LYS A 58 -6.657 2.595 -10.584 1.00 0.00 C ATOM 911 C LYS A 58 -6.329 2.241 -9.129 1.00 0.00 C ATOM 912 O LYS A 58 -5.639 1.278 -8.860 1.00 0.00 O ATOM 913 CB LYS A 58 -5.363 2.799 -11.384 1.00 0.00 C ATOM 914 CG LYS A 58 -4.225 3.338 -10.468 1.00 0.00 C ATOM 915 CD LYS A 58 -3.031 3.823 -11.313 1.00 0.00 C ATOM 916 CE LYS A 58 -1.881 4.255 -10.397 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.775 4.819 -11.220 1.00 0.00 N ATOM 0 H LYS A 58 -7.023 4.607 -11.179 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.232 1.771 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.057 1.855 -11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.541 3.499 -12.200 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.601 4.158 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.899 2.554 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.698 3.026 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.337 4.657 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.232 4.999 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.521 3.403 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.093 4.268 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.033 4.773 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.611 5.810 -10.949 1.00 0.00 H new ATOM 931 N ASN A 59 -6.824 3.004 -8.188 1.00 10.56 N ATOM 932 CA ASN A 59 -6.549 2.712 -6.742 1.00 9.74 C ATOM 933 C ASN A 59 -7.780 2.036 -6.118 1.00 9.95 C ATOM 934 O ASN A 59 -7.747 1.587 -4.990 1.00 8.95 O ATOM 935 CB ASN A 59 -6.249 4.031 -6.010 1.00 10.40 C ATOM 936 CG ASN A 59 -4.910 4.593 -6.492 1.00 12.58 C ATOM 937 OD1 ASN A 59 -4.642 5.769 -6.340 1.00 14.84 O ATOM 938 ND2 ASN A 59 -4.050 3.799 -7.065 1.00 14.09 N ATOM 0 H ASN A 59 -7.410 3.822 -8.357 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.691 2.046 -6.653 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -7.045 4.751 -6.197 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -6.218 3.862 -4.934 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -3.153 4.164 -7.385 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.274 2.812 -7.193 1.00 14.09 H new ATOM 945 N TYR A 60 -8.863 1.969 -6.844 1.00 10.23 N ATOM 946 CA TYR A 60 -10.102 1.332 -6.300 1.00 5.50 C ATOM 947 C TYR A 60 -10.085 -0.171 -6.615 1.00 5.21 C ATOM 948 O TYR A 60 -11.062 -0.865 -6.407 1.00 7.16 O ATOM 949 CB TYR A 60 -11.330 1.978 -6.969 1.00 3.37 C ATOM 950 CG TYR A 60 -11.737 3.242 -6.239 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.766 4.129 -5.758 1.00 4.04 C ATOM 952 CD2 TYR A 60 -13.095 3.526 -6.052 1.00 2.00 C ATOM 953 CE1 TYR A 60 -11.152 5.297 -5.094 1.00 4.04 C ATOM 954 CE2 TYR A 60 -13.483 4.694 -5.388 1.00 2.69 C ATOM 955 CZ TYR A 60 -12.511 5.581 -4.909 1.00 4.45 C ATOM 956 OH TYR A 60 -12.893 6.735 -4.252 1.00 9.52 O ATOM 0 H TYR A 60 -8.946 2.329 -7.795 1.00 10.23 H new ATOM 0 HA TYR A 60 -10.148 1.476 -5.220 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -11.103 2.211 -8.009 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -12.161 1.272 -6.974 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.718 3.910 -5.900 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.845 2.842 -6.421 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -10.402 5.980 -4.724 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -14.531 4.912 -5.245 1.00 2.69 H new ATOM 0 HH TYR A 60 -13.871 6.779 -4.210 1.00 9.52 H new ATOM 966 N VAL A 61 -8.992 -0.677 -7.121 1.00 5.00 N ATOM 967 CA VAL A 61 -8.920 -2.132 -7.458 1.00 4.84 C ATOM 968 C VAL A 61 -7.489 -2.637 -7.244 1.00 5.03 C ATOM 969 O VAL A 61 -6.544 -1.874 -7.287 1.00 5.61 O ATOM 970 CB VAL A 61 -9.312 -2.329 -8.932 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.755 -1.866 -9.151 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.385 -1.506 -9.835 1.00 2.97 C ATOM 0 H VAL A 61 -8.143 -0.146 -7.316 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.602 -2.690 -6.816 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.221 -3.387 -9.180 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -11.028 -2.008 -10.197 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.424 -2.450 -8.519 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.842 -0.810 -8.893 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.669 -1.651 -10.877 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.471 -0.450 -9.579 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.355 -1.831 -9.691 1.00 2.97 H new ATOM 982 N VAL A 62 -7.326 -3.920 -7.031 1.00 0.00 N ATOM 983 CA VAL A 62 -5.949 -4.489 -6.833 1.00 0.00 C ATOM 984 C VAL A 62 -5.564 -5.265 -8.088 1.00 0.00 C ATOM 985 O VAL A 62 -6.409 -5.633 -8.862 1.00 0.00 O ATOM 986 CB VAL A 62 -5.942 -5.442 -5.635 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.795 -6.672 -5.949 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.509 -5.883 -5.341 1.00 0.00 C ATOM 0 H VAL A 62 -8.084 -4.600 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.241 -3.681 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.352 -4.928 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.787 -7.348 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.819 -6.361 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.387 -7.185 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.505 -6.561 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.099 -6.393 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.899 -5.009 -5.112 1.00 0.00 H new ATOM 998 N VAL A 63 -4.299 -5.511 -8.292 1.00 0.00 N ATOM 999 CA VAL A 63 -3.851 -6.268 -9.509 1.00 0.00 C ATOM 1000 C VAL A 63 -3.400 -7.674 -9.107 1.00 0.00 C ATOM 1001 O VAL A 63 -2.677 -7.857 -8.148 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.684 -5.526 -10.166 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.033 -6.420 -11.225 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.204 -4.249 -10.828 1.00 0.00 C ATOM 0 H VAL A 63 -3.547 -5.221 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.680 -6.344 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.945 -5.271 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.203 -5.888 -11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.662 -7.331 -10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.770 -6.679 -11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.375 -3.719 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.944 -4.507 -11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.664 -3.610 -10.074 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.831 -8.670 -9.843 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.446 -10.081 -9.525 1.00 0.00 C ATOM 1016 C LEU A 64 -2.393 -10.558 -10.536 1.00 0.00 C ATOM 1017 O LEU A 64 -1.274 -10.864 -10.178 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.698 -10.974 -9.613 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.720 -10.582 -8.525 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.058 -11.317 -8.738 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.155 -10.924 -7.139 1.00 0.00 C ATOM 0 H LEU A 64 -4.437 -8.565 -10.656 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.029 -10.138 -8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.153 -10.877 -10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.415 -12.020 -9.494 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.902 -9.509 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.762 -11.024 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.466 -11.054 -9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.893 -12.393 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.878 -10.646 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.957 -11.994 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.227 -10.375 -6.979 1.00 0.00 H new ATOM 1033 N SER A 65 -2.742 -10.628 -11.797 1.00 0.00 N ATOM 1034 CA SER A 65 -1.751 -11.088 -12.815 1.00 0.00 C ATOM 1035 C SER A 65 -0.668 -10.022 -12.989 1.00 0.00 C ATOM 1036 O SER A 65 -0.901 -8.847 -12.789 1.00 0.00 O ATOM 1037 CB SER A 65 -2.455 -11.339 -14.153 1.00 0.00 C ATOM 1038 OG SER A 65 -1.486 -11.722 -15.120 1.00 0.00 O ATOM 0 H SER A 65 -3.664 -10.388 -12.162 1.00 0.00 H new ATOM 0 HA SER A 65 -1.292 -12.018 -12.478 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.206 -12.121 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.977 -10.439 -14.479 1.00 0.00 H new ATOM 0 HG SER A 65 -1.148 -12.617 -14.908 1.00 0.00 H new ATOM 1044 N ASP A 66 0.522 -10.423 -13.356 1.00 0.00 N ATOM 1045 CA ASP A 66 1.629 -9.436 -13.541 1.00 0.00 C ATOM 1046 C ASP A 66 2.545 -9.907 -14.671 1.00 0.00 C ATOM 1047 O ASP A 66 2.659 -11.086 -14.939 1.00 0.00 O ATOM 1048 CB ASP A 66 2.430 -9.327 -12.242 1.00 0.00 C ATOM 1049 CG ASP A 66 3.339 -8.096 -12.302 1.00 0.00 C ATOM 1050 OD1 ASP A 66 3.121 -7.265 -13.170 1.00 0.00 O ATOM 1051 OD2 ASP A 66 4.233 -8.005 -11.478 1.00 0.00 O ATOM 0 H ASP A 66 0.776 -11.394 -13.536 1.00 0.00 H new ATOM 0 HA ASP A 66 1.214 -8.461 -13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.753 -9.251 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.028 -10.226 -12.095 1.00 0.00 H new ATOM 1056 N GLY A 67 3.203 -8.995 -15.337 1.00 0.00 N ATOM 1057 CA GLY A 67 4.113 -9.392 -16.450 1.00 0.00 C ATOM 1058 C GLY A 67 5.480 -9.803 -15.878 1.00 0.00 C ATOM 1059 O GLY A 67 5.845 -10.960 -15.948 1.00 0.00 O ATOM 0 H GLY A 67 3.149 -7.992 -15.158 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.679 -10.220 -17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.234 -8.563 -17.148 1.00 0.00 H new ATOM 1063 N PRO A 68 6.201 -8.851 -15.322 1.00 0.00 N ATOM 1064 CA PRO A 68 7.525 -9.134 -14.737 1.00 0.00 C ATOM 1065 C PRO A 68 7.383 -10.177 -13.618 1.00 0.00 C ATOM 1066 O PRO A 68 7.143 -9.842 -12.475 1.00 0.00 O ATOM 1067 CB PRO A 68 8.018 -7.774 -14.188 1.00 0.00 C ATOM 1068 CG PRO A 68 6.896 -6.726 -14.453 1.00 0.00 C ATOM 1069 CD PRO A 68 5.766 -7.439 -15.232 1.00 0.00 C ATOM 0 HA PRO A 68 8.231 -9.546 -15.458 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.231 -7.846 -13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.944 -7.476 -14.679 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.518 -6.323 -13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.285 -5.885 -15.027 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.812 -7.352 -14.713 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.632 -7.003 -16.222 1.00 0.00 H new ATOM 1077 N ALA A 69 7.550 -11.436 -13.943 1.00 0.00 N ATOM 1078 CA ALA A 69 7.451 -12.513 -12.920 1.00 0.00 C ATOM 1079 C ALA A 69 8.819 -13.166 -12.789 1.00 0.00 C ATOM 1080 O ALA A 69 9.098 -14.196 -13.371 1.00 0.00 O ATOM 1081 CB ALA A 69 6.430 -13.559 -13.380 1.00 0.00 C ATOM 0 H ALA A 69 7.753 -11.763 -14.888 1.00 0.00 H new ATOM 0 HA ALA A 69 7.133 -12.100 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.356 -14.349 -12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.456 -13.086 -13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.751 -13.987 -14.330 1.00 0.00 H new ATOM 1087 N LEU A 70 9.669 -12.565 -12.021 1.00 0.00 N ATOM 1088 CA LEU A 70 11.039 -13.120 -11.821 1.00 0.00 C ATOM 1089 C LEU A 70 10.999 -14.171 -10.709 1.00 0.00 C ATOM 1090 O LEU A 70 10.558 -13.906 -9.607 1.00 0.00 O ATOM 1091 CB LEU A 70 11.993 -11.988 -11.419 1.00 0.00 C ATOM 1092 CG LEU A 70 12.252 -11.057 -12.623 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.665 -9.669 -12.124 1.00 0.00 C ATOM 1094 CD2 LEU A 70 13.378 -11.623 -13.501 1.00 0.00 C ATOM 0 H LEU A 70 9.478 -11.701 -11.513 1.00 0.00 H new ATOM 0 HA LEU A 70 11.388 -13.578 -12.746 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.565 -11.418 -10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.935 -12.405 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 70 11.336 -10.985 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.847 -9.015 -12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.867 -9.251 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.575 -9.752 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.550 -10.957 -14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.292 -11.706 -12.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.092 -12.609 -13.868 1.00 0.00 H new ATOM 1106 N HIS A 71 11.456 -15.360 -10.986 1.00 0.00 N ATOM 1107 CA HIS A 71 11.443 -16.426 -9.943 1.00 0.00 C ATOM 1108 C HIS A 71 10.050 -16.507 -9.316 1.00 0.00 C ATOM 1109 CB HIS A 71 12.470 -16.088 -8.860 1.00 0.00 C ATOM 1110 CG HIS A 71 12.662 -17.280 -7.961 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.820 -18.381 -8.002 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.597 -17.557 -6.993 1.00 0.00 C ATOM 1113 CE1 HIS A 71 12.261 -19.262 -7.085 1.00 0.00 C ATOM 1114 NE2 HIS A 71 13.340 -18.809 -6.442 1.00 0.00 N ATOM 0 H HIS A 71 11.838 -15.641 -11.889 1.00 0.00 H new ATOM 0 HA HIS A 71 11.694 -17.385 -10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.419 -15.808 -9.318 1.00 0.00 H new ATOM 0 HB3 HIS A 71 12.132 -15.231 -8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.407 -16.904 -6.704 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.798 -20.219 -6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.864 -19.280 -5.704 1.00 0.00 H new ATOM 1123 N GLY B 72 -14.752 -12.459 8.049 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.836 -12.713 6.902 1.00 0.00 C ATOM 1125 C GLY B 72 -13.327 -11.380 6.349 1.00 0.00 C ATOM 1126 O GLY B 72 -13.443 -11.100 5.175 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.997 -13.330 7.223 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.358 -13.267 6.122 1.00 0.00 H new ATOM 1131 N SER B 73 -12.763 -10.555 7.189 1.00 0.00 N ATOM 1132 CA SER B 73 -12.249 -9.242 6.709 1.00 0.00 C ATOM 1133 C SER B 73 -10.898 -9.444 6.020 1.00 0.00 C ATOM 1134 O SER B 73 -10.197 -10.403 6.275 1.00 0.00 O ATOM 1135 CB SER B 73 -12.075 -8.298 7.901 1.00 0.00 C ATOM 1136 OG SER B 73 -13.227 -8.374 8.732 1.00 0.00 O ATOM 0 H SER B 73 -12.636 -10.734 8.185 1.00 0.00 H new ATOM 0 HA SER B 73 -12.957 -8.811 6.002 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.185 -8.570 8.468 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.931 -7.275 7.552 1.00 0.00 H new ATOM 0 HG SER B 73 -13.118 -7.772 9.498 1.00 0.00 H new ATOM 1142 N MET B 74 -10.527 -8.547 5.148 1.00 0.00 N ATOM 1143 CA MET B 74 -9.222 -8.688 4.442 1.00 0.00 C ATOM 1144 C MET B 74 -8.116 -8.954 5.465 1.00 0.00 C ATOM 1145 O MET B 74 -8.311 -8.807 6.655 1.00 0.00 O ATOM 1146 CB MET B 74 -8.914 -7.401 3.677 1.00 0.00 C ATOM 1147 CG MET B 74 -10.160 -6.945 2.917 1.00 0.00 C ATOM 1148 SD MET B 74 -9.715 -5.634 1.756 1.00 0.00 S ATOM 1149 CE MET B 74 -11.298 -4.758 1.779 1.00 0.00 C ATOM 0 H MET B 74 -11.071 -7.723 4.894 1.00 0.00 H new ATOM 0 HA MET B 74 -9.275 -9.521 3.741 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.593 -6.623 4.369 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.092 -7.568 2.981 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.599 -7.786 2.381 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.914 -6.584 3.617 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.245 -3.894 1.116 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.089 -5.427 1.441 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.514 -4.424 2.794 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.956 -9.344 5.010 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.838 -9.617 5.960 1.00 0.00 C ATOM 1161 C GLY B 75 -4.540 -9.818 5.176 1.00 0.00 C ATOM 1162 O GLY B 75 -3.798 -10.748 5.418 1.00 0.00 O ATOM 0 H GLY B 75 -6.734 -9.485 4.025 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.729 -8.787 6.658 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.059 -10.505 6.553 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.260 -8.952 4.241 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.007 -9.095 3.442 1.00 0.00 C ATOM 1168 C VAL B 76 -2.595 -7.723 2.891 1.00 0.00 C ATOM 1169 O VAL B 76 -3.400 -7.035 2.297 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.257 -10.044 2.262 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.359 -9.657 1.086 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.938 -11.486 2.657 1.00 0.00 C ATOM 0 H VAL B 76 -4.843 -8.152 3.995 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.218 -9.494 4.079 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.307 -9.965 1.979 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.541 -10.334 0.251 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.581 -8.635 0.779 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.314 -9.726 1.388 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.121 -12.145 1.808 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.892 -11.559 2.954 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.573 -11.784 3.491 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.345 -7.377 3.078 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.807 -6.112 2.575 1.00 0.00 C ATOM 1184 C PRO B 77 -0.630 -6.217 1.078 1.00 0.00 C ATOM 1185 O PRO B 77 -0.630 -7.291 0.516 1.00 0.00 O ATOM 1186 CB PRO B 77 0.552 -5.954 3.261 1.00 0.00 C ATOM 1187 CG PRO B 77 0.843 -7.278 4.008 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.366 -8.199 3.810 1.00 0.00 C ATOM 0 HA PRO B 77 -1.459 -5.263 2.778 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.331 -5.746 2.528 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.537 -5.115 3.957 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.748 -7.746 3.620 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.011 -7.090 5.068 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.096 -9.091 3.245 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.768 -8.537 4.765 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.481 -5.111 0.430 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.303 -5.145 -1.036 1.00 0.00 C ATOM 1198 C ILE B 78 0.822 -4.201 -1.428 1.00 0.00 C ATOM 1199 O ILE B 78 0.791 -3.015 -1.164 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.614 -4.763 -1.708 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.704 -5.655 -1.117 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.499 -5.009 -3.209 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.092 -5.154 -1.498 1.00 0.00 C ATOM 0 H ILE B 78 -0.474 -4.182 0.851 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.032 -6.148 -1.364 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.850 -3.711 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.573 -6.677 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.609 -5.680 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.436 -4.737 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.690 -4.403 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.289 -6.063 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.847 -5.809 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.229 -4.141 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.194 -5.154 -2.583 1.00 0.00 H new ATOM 1215 N CYS B 79 1.832 -4.746 -2.035 1.00 0.00 N ATOM 1216 CA CYS B 79 2.999 -3.930 -2.431 1.00 0.00 C ATOM 1217 C CYS B 79 2.560 -2.808 -3.357 1.00 0.00 C ATOM 1218 O CYS B 79 2.060 -3.031 -4.442 1.00 0.00 O ATOM 1219 CB CYS B 79 4.026 -4.824 -3.124 1.00 0.00 C ATOM 1220 SG CYS B 79 5.321 -3.807 -3.873 1.00 0.00 S ATOM 0 H CYS B 79 1.897 -5.735 -2.276 1.00 0.00 H new ATOM 0 HA CYS B 79 3.452 -3.485 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.465 -5.515 -2.404 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.538 -5.428 -3.889 1.00 0.00 H new ATOM 0 HG CYS B 79 6.055 -4.544 -4.653 1.00 0.00 H new ATOM 1225 N GLY B 80 2.739 -1.595 -2.925 1.00 0.00 N ATOM 1226 CA GLY B 80 2.333 -0.435 -3.759 1.00 0.00 C ATOM 1227 C GLY B 80 3.184 -0.401 -5.026 1.00 0.00 C ATOM 1228 O GLY B 80 3.032 0.464 -5.866 1.00 0.00 O ATOM 0 H GLY B 80 3.152 -1.355 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.277 -0.511 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.458 0.492 -3.199 1.00 0.00 H new ATOM 1232 N ALA B 81 4.080 -1.336 -5.169 1.00 0.00 N ATOM 1233 CA ALA B 81 4.945 -1.359 -6.380 1.00 0.00 C ATOM 1234 C ALA B 81 4.233 -2.120 -7.497 1.00 0.00 C ATOM 1235 O ALA B 81 4.150 -1.664 -8.619 1.00 0.00 O ATOM 1236 CB ALA B 81 6.271 -2.048 -6.047 1.00 0.00 C ATOM 0 H ALA B 81 4.251 -2.086 -4.499 1.00 0.00 H new ATOM 0 HA ALA B 81 5.143 -0.339 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.905 -2.065 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.776 -1.501 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.078 -3.069 -5.719 1.00 0.00 H new ATOM 1242 N CYS B 82 3.724 -3.279 -7.193 1.00 0.00 N ATOM 1243 CA CYS B 82 3.013 -4.087 -8.222 1.00 0.00 C ATOM 1244 C CYS B 82 1.547 -4.236 -7.816 1.00 0.00 C ATOM 1245 O CYS B 82 0.786 -4.936 -8.454 1.00 0.00 O ATOM 1246 CB CYS B 82 3.660 -5.470 -8.313 1.00 0.00 C ATOM 1247 SG CYS B 82 4.110 -6.031 -6.653 1.00 0.00 S ATOM 0 H CYS B 82 3.770 -3.706 -6.268 1.00 0.00 H new ATOM 0 HA CYS B 82 3.076 -3.591 -9.191 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.970 -6.177 -8.774 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.545 -5.429 -8.948 1.00 0.00 H new ATOM 0 HG CYS B 82 5.403 -6.010 -6.523 1.00 0.00 H new ATOM 1252 N ARG B 83 1.146 -3.589 -6.754 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.265 -3.703 -6.307 1.00 0.00 C ATOM 1254 C ARG B 83 -0.606 -5.183 -6.156 1.00 0.00 C ATOM 1255 O ARG B 83 -1.675 -5.628 -6.523 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.193 -3.060 -7.343 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.940 -1.546 -7.399 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.816 -0.900 -8.483 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.393 -1.371 -9.843 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.390 -0.822 -10.473 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.178 0.255 -10.005 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.018 -1.327 -11.605 1.00 0.00 N ATOM 0 H ARG B 83 1.737 -2.988 -6.180 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.397 -3.190 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.021 -3.503 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.234 -3.255 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.159 -1.098 -6.430 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.112 -1.354 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.863 -1.152 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.736 0.186 -8.426 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.900 -2.137 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.161 0.675 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.961 0.677 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.446 -2.147 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.801 -0.901 -12.101 1.00 0.00 H new ATOM 1276 N ARG B 84 0.306 -5.946 -5.612 1.00 0.00 N ATOM 1277 CA ARG B 84 0.058 -7.406 -5.423 1.00 0.00 C ATOM 1278 C ARG B 84 0.048 -7.705 -3.920 1.00 0.00 C ATOM 1279 O ARG B 84 0.809 -7.114 -3.180 1.00 0.00 O ATOM 1280 CB ARG B 84 1.182 -8.204 -6.095 1.00 0.00 C ATOM 1281 CG ARG B 84 0.862 -8.400 -7.578 1.00 0.00 C ATOM 1282 CD ARG B 84 1.895 -9.340 -8.201 1.00 0.00 C ATOM 1283 NE ARG B 84 2.062 -10.539 -7.335 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.080 -11.337 -7.512 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.951 -11.082 -8.451 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.224 -12.389 -6.755 1.00 0.00 N ATOM 0 H ARG B 84 1.216 -5.619 -5.289 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.897 -7.687 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.130 -7.678 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.296 -9.172 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.139 -8.815 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.871 -7.439 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.574 -9.641 -9.198 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.849 -8.825 -8.315 1.00 0.00 H new ATOM 0 HE ARG B 84 1.380 -10.737 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.835 -10.261 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG B 84 4.747 -11.704 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.541 -12.589 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.020 -13.012 -6.894 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.804 -8.610 -3.503 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.904 -8.975 -2.079 1.00 0.00 C ATOM 1302 C PRO B 85 0.454 -9.438 -1.549 1.00 0.00 C ATOM 1303 O PRO B 85 0.968 -10.465 -1.941 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.946 -10.103 -2.034 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.494 -10.301 -3.464 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.727 -9.341 -4.395 1.00 0.00 C ATOM 0 HA PRO B 85 -1.199 -8.135 -1.450 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.495 -11.025 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.754 -9.849 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.361 -11.334 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.563 -10.093 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.183 -9.887 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.406 -8.659 -4.907 1.00 0.00 H new ATOM 1314 N ILE B 86 1.036 -8.684 -0.652 1.00 0.00 N ATOM 1315 CA ILE B 86 2.357 -9.090 -0.091 1.00 0.00 C ATOM 1316 C ILE B 86 2.151 -10.306 0.813 1.00 0.00 C ATOM 1317 O ILE B 86 1.057 -10.560 1.273 1.00 0.00 O ATOM 1318 CB ILE B 86 2.972 -7.926 0.695 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.253 -6.759 -0.260 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.290 -8.374 1.332 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.150 -5.431 0.500 1.00 0.00 C ATOM 0 H ILE B 86 0.656 -7.811 -0.287 1.00 0.00 H new ATOM 0 HA ILE B 86 3.043 -9.352 -0.897 1.00 0.00 H new ATOM 0 HB ILE B 86 2.276 -7.611 1.473 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.247 -6.864 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.541 -6.773 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.725 -7.545 1.890 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.102 -9.208 2.009 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.983 -8.689 0.552 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.350 -4.605 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.147 -5.325 0.913 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.879 -5.418 1.310 1.00 0.00 H new ATOM 1333 N GLU B 87 3.178 -11.078 1.061 1.00 0.00 N ATOM 1334 CA GLU B 87 2.991 -12.286 1.922 1.00 0.00 C ATOM 1335 C GLU B 87 4.332 -12.765 2.477 1.00 0.00 C ATOM 1336 O GLU B 87 4.765 -13.873 2.227 1.00 0.00 O ATOM 1337 CB GLU B 87 2.350 -13.403 1.092 1.00 0.00 C ATOM 1338 CG GLU B 87 2.957 -13.410 -0.313 1.00 0.00 C ATOM 1339 CD GLU B 87 2.637 -14.739 -1.002 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.543 -14.866 -1.522 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.497 -15.605 -0.998 1.00 0.00 O ATOM 0 H GLU B 87 4.124 -10.929 0.711 1.00 0.00 H new ATOM 0 HA GLU B 87 2.343 -12.026 2.759 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.512 -14.367 1.574 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.272 -13.253 1.033 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.558 -12.580 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.036 -13.269 -0.255 1.00 0.00 H new ATOM 1348 N GLY B 88 4.986 -11.940 3.241 1.00 0.00 N ATOM 1349 CA GLY B 88 6.291 -12.325 3.841 1.00 0.00 C ATOM 1350 C GLY B 88 6.735 -11.190 4.748 1.00 0.00 C ATOM 1351 O GLY B 88 6.229 -11.016 5.838 1.00 0.00 O ATOM 0 H GLY B 88 4.667 -11.001 3.479 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.193 -13.251 4.407 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.032 -12.504 3.062 1.00 0.00 H new ATOM 1355 N ARG B 89 7.646 -10.394 4.285 1.00 0.00 N ATOM 1356 CA ARG B 89 8.104 -9.226 5.082 1.00 0.00 C ATOM 1357 C ARG B 89 7.641 -7.976 4.345 1.00 0.00 C ATOM 1358 O ARG B 89 7.957 -7.770 3.190 1.00 0.00 O ATOM 1359 CB ARG B 89 9.622 -9.238 5.213 1.00 0.00 C ATOM 1360 CG ARG B 89 10.039 -10.325 6.204 1.00 0.00 C ATOM 1361 CD ARG B 89 11.506 -10.124 6.598 1.00 0.00 C ATOM 1362 NE ARG B 89 12.224 -11.436 6.584 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.688 -12.504 7.113 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.547 -12.428 7.743 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.307 -13.650 7.035 1.00 0.00 N ATOM 0 H ARG B 89 8.100 -10.501 3.378 1.00 0.00 H new ATOM 0 HA ARG B 89 7.690 -9.255 6.090 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.080 -9.422 4.241 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.976 -8.265 5.554 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.405 -10.286 7.090 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.903 -11.310 5.758 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.985 -9.431 5.907 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.567 -9.678 7.591 1.00 0.00 H new ATOM 0 HE ARG B 89 13.147 -11.498 6.155 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.068 -11.531 7.825 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.134 -13.266 8.154 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.208 -13.712 6.562 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.890 -14.484 7.448 1.00 0.00 H new ATOM 1379 N VAL B 90 6.854 -7.172 4.985 1.00 0.00 N ATOM 1380 CA VAL B 90 6.313 -5.957 4.309 1.00 0.00 C ATOM 1381 C VAL B 90 7.117 -4.716 4.677 1.00 0.00 C ATOM 1382 O VAL B 90 7.772 -4.660 5.700 1.00 0.00 O ATOM 1383 CB VAL B 90 4.862 -5.751 4.749 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.242 -4.569 3.991 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.051 -7.018 4.456 1.00 0.00 C ATOM 0 H VAL B 90 6.556 -7.298 5.952 1.00 0.00 H new ATOM 0 HA VAL B 90 6.377 -6.105 3.231 1.00 0.00 H new ATOM 0 HB VAL B 90 4.845 -5.541 5.818 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.209 -4.432 4.312 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.811 -3.663 4.201 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.265 -4.771 2.920 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.018 -6.869 4.770 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.079 -7.229 3.387 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.479 -7.858 5.002 1.00 0.00 H new ATOM 1395 N VAL B 91 7.037 -3.704 3.854 1.00 0.00 N ATOM 1396 CA VAL B 91 7.746 -2.431 4.141 1.00 0.00 C ATOM 1397 C VAL B 91 6.700 -1.329 4.170 1.00 0.00 C ATOM 1398 O VAL B 91 6.050 -1.058 3.182 1.00 0.00 O ATOM 1399 CB VAL B 91 8.782 -2.140 3.051 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.108 -0.642 3.038 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.058 -2.929 3.352 1.00 0.00 C ATOM 0 H VAL B 91 6.503 -3.709 2.985 1.00 0.00 H new ATOM 0 HA VAL B 91 8.272 -2.493 5.094 1.00 0.00 H new ATOM 0 HB VAL B 91 8.383 -2.433 2.080 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.845 -0.437 2.262 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.200 -0.074 2.835 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.511 -0.349 4.008 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.801 -2.727 2.580 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.452 -2.627 4.323 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.831 -3.995 3.368 1.00 0.00 H new ATOM 1411 N ASN B 92 6.507 -0.705 5.291 1.00 0.00 N ATOM 1412 CA ASN B 92 5.477 0.363 5.365 1.00 0.00 C ATOM 1413 C ASN B 92 6.110 1.705 5.013 1.00 0.00 C ATOM 1414 O ASN B 92 6.847 2.283 5.787 1.00 0.00 O ATOM 1415 CB ASN B 92 4.901 0.416 6.775 1.00 0.00 C ATOM 1416 CG ASN B 92 4.092 -0.853 7.046 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.205 -0.856 7.877 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.361 -1.939 6.373 1.00 0.00 N ATOM 0 H ASN B 92 7.014 -0.885 6.157 1.00 0.00 H new ATOM 0 HA ASN B 92 4.676 0.148 4.658 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.706 0.509 7.504 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.266 1.295 6.887 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.827 -2.791 6.544 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.106 -1.936 5.676 1.00 0.00 H new ATOM 1425 N ALA B 93 5.822 2.205 3.844 1.00 0.00 N ATOM 1426 CA ALA B 93 6.396 3.510 3.422 1.00 0.00 C ATOM 1427 C ALA B 93 5.360 4.257 2.587 1.00 0.00 C ATOM 1428 O ALA B 93 4.439 3.666 2.060 1.00 0.00 O ATOM 1429 CB ALA B 93 7.648 3.265 2.579 1.00 0.00 C ATOM 0 H ALA B 93 5.210 1.762 3.159 1.00 0.00 H new ATOM 0 HA ALA B 93 6.661 4.100 4.299 1.00 0.00 H new ATOM 0 HB1 ALA B 93 8.070 4.221 2.269 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.383 2.718 3.170 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.384 2.681 1.697 1.00 0.00 H new ATOM 1435 N MET B 94 5.491 5.548 2.468 1.00 0.00 N ATOM 1436 CA MET B 94 4.497 6.313 1.670 1.00 0.00 C ATOM 1437 C MET B 94 3.124 6.074 2.271 1.00 0.00 C ATOM 1438 O MET B 94 2.102 6.296 1.651 1.00 0.00 O ATOM 1439 CB MET B 94 4.501 5.819 0.220 1.00 0.00 C ATOM 1440 CG MET B 94 5.940 5.644 -0.279 1.00 0.00 C ATOM 1441 SD MET B 94 6.642 7.267 -0.656 1.00 0.00 S ATOM 1442 CE MET B 94 8.331 6.939 -0.091 1.00 0.00 C ATOM 0 H MET B 94 6.238 6.103 2.886 1.00 0.00 H new ATOM 0 HA MET B 94 4.746 7.374 1.685 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.967 4.871 0.150 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.973 6.530 -0.415 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.541 5.142 0.479 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.955 5.013 -1.168 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.840 7.883 0.100 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.300 6.351 0.826 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.870 6.385 -0.859 1.00 0.00 H new ATOM 1452 N GLY B 95 3.108 5.596 3.474 1.00 0.00 N ATOM 1453 CA GLY B 95 1.813 5.304 4.142 1.00 0.00 C ATOM 1454 C GLY B 95 1.186 4.096 3.452 1.00 0.00 C ATOM 1455 O GLY B 95 -0.015 3.914 3.448 1.00 0.00 O ATOM 0 H GLY B 95 3.939 5.392 4.030 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.969 5.099 5.201 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.149 6.166 4.078 1.00 0.00 H new ATOM 1459 N LYS B 96 2.009 3.281 2.854 1.00 0.00 N ATOM 1460 CA LYS B 96 1.511 2.077 2.130 1.00 0.00 C ATOM 1461 C LYS B 96 2.296 0.845 2.576 1.00 0.00 C ATOM 1462 O LYS B 96 2.839 0.791 3.659 1.00 0.00 O ATOM 1463 CB LYS B 96 1.722 2.289 0.626 1.00 0.00 C ATOM 1464 CG LYS B 96 0.884 3.484 0.138 1.00 0.00 C ATOM 1465 CD LYS B 96 0.011 3.058 -1.046 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.637 4.289 -1.675 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.629 4.868 -0.728 1.00 0.00 N ATOM 0 H LYS B 96 3.022 3.400 2.836 1.00 0.00 H new ATOM 0 HA LYS B 96 0.454 1.927 2.348 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.778 2.467 0.420 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.438 1.389 0.081 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.257 3.855 0.949 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.540 4.303 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.616 2.535 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.757 2.361 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.125 5.030 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.127 4.017 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.166 5.621 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.283 4.124 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.133 5.265 0.095 1.00 0.00 H new ATOM 1481 N GLN B 97 2.354 -0.141 1.728 1.00 0.00 N ATOM 1482 CA GLN B 97 3.091 -1.392 2.035 1.00 0.00 C ATOM 1483 C GLN B 97 3.897 -1.742 0.782 1.00 0.00 C ATOM 1484 O GLN B 97 3.450 -1.500 -0.320 1.00 0.00 O ATOM 1485 CB GLN B 97 2.073 -2.491 2.342 1.00 0.00 C ATOM 1486 CG GLN B 97 1.550 -2.303 3.780 1.00 0.00 C ATOM 1487 CD GLN B 97 0.056 -2.644 3.863 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.548 -2.512 4.907 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.569 -3.082 2.806 1.00 0.00 N ATOM 0 H GLN B 97 1.908 -0.129 0.811 1.00 0.00 H new ATOM 0 HA GLN B 97 3.753 -1.283 2.894 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.247 -2.448 1.632 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.535 -3.473 2.235 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.112 -2.940 4.463 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.711 -1.273 4.099 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.066 -3.195 1.926 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.561 -3.312 2.859 1.00 0.00 H new ATOM 1498 N TRP B 98 5.083 -2.266 0.918 1.00 0.00 N ATOM 1499 CA TRP B 98 5.885 -2.563 -0.305 1.00 0.00 C ATOM 1500 C TRP B 98 6.650 -3.875 -0.140 1.00 0.00 C ATOM 1501 O TRP B 98 7.204 -4.148 0.906 1.00 0.00 O ATOM 1502 CB TRP B 98 6.878 -1.419 -0.513 1.00 0.00 C ATOM 1503 CG TRP B 98 6.137 -0.123 -0.569 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.747 0.603 0.505 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.688 0.607 -1.740 1.00 0.00 C ATOM 1506 NE1 TRP B 98 5.079 1.734 0.059 1.00 0.00 N ATOM 1507 CE2 TRP B 98 5.019 1.779 -1.318 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.798 0.365 -3.114 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.474 2.678 -2.235 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.255 1.262 -4.041 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.593 2.418 -3.605 1.00 0.00 C ATOM 0 H TRP B 98 5.527 -2.499 1.806 1.00 0.00 H new ATOM 0 HA TRP B 98 5.220 -2.659 -1.164 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.604 -1.401 0.300 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.437 -1.571 -1.436 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.926 0.344 1.538 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.681 2.444 0.674 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.306 -0.522 -3.462 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.965 3.566 -1.891 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.347 1.062 -5.098 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.176 3.107 -4.325 1.00 0.00 H new ATOM 1522 N HIS B 99 6.725 -4.680 -1.173 1.00 0.00 N ATOM 1523 CA HIS B 99 7.503 -5.945 -1.042 1.00 0.00 C ATOM 1524 C HIS B 99 8.914 -5.551 -0.619 1.00 0.00 C ATOM 1525 O HIS B 99 9.516 -4.669 -1.197 1.00 0.00 O ATOM 1526 CB HIS B 99 7.583 -6.684 -2.381 1.00 0.00 C ATOM 1527 CG HIS B 99 6.332 -7.480 -2.620 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.479 -7.207 -3.675 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.787 -8.555 -1.967 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.474 -8.099 -3.629 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.614 -8.946 -2.605 1.00 0.00 N ATOM 0 H HIS B 99 6.290 -4.519 -2.081 1.00 0.00 H new ATOM 0 HA HIS B 99 7.022 -6.604 -0.319 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.725 -5.968 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.449 -7.346 -2.386 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.592 -6.463 -4.364 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.205 -9.027 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.655 -8.127 -4.333 1.00 0.00 H new ATOM 1539 N VAL B 100 9.455 -6.186 0.372 1.00 0.00 N ATOM 1540 CA VAL B 100 10.828 -5.823 0.800 1.00 0.00 C ATOM 1541 C VAL B 100 11.742 -5.885 -0.418 1.00 0.00 C ATOM 1542 O VAL B 100 12.857 -5.399 -0.405 1.00 0.00 O ATOM 1543 CB VAL B 100 11.293 -6.824 1.852 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.819 -6.806 1.945 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.688 -6.441 3.202 1.00 0.00 C ATOM 0 H VAL B 100 9.012 -6.936 0.903 1.00 0.00 H new ATOM 0 HA VAL B 100 10.850 -4.819 1.224 1.00 0.00 H new ATOM 0 HB VAL B 100 10.969 -7.827 1.574 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.146 -7.523 2.698 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.246 -7.075 0.979 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.155 -5.807 2.225 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.015 -7.151 3.962 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.017 -5.439 3.477 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.600 -6.460 3.132 1.00 0.00 H new ATOM 1555 N GLU B 101 11.274 -6.497 -1.464 1.00 0.00 N ATOM 1556 CA GLU B 101 12.097 -6.625 -2.693 1.00 0.00 C ATOM 1557 C GLU B 101 11.757 -5.509 -3.691 1.00 0.00 C ATOM 1558 O GLU B 101 12.575 -5.135 -4.507 1.00 0.00 O ATOM 1559 CB GLU B 101 11.815 -7.988 -3.336 1.00 0.00 C ATOM 1560 CG GLU B 101 12.464 -8.068 -4.719 1.00 0.00 C ATOM 1561 CD GLU B 101 13.947 -7.702 -4.613 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.672 -8.436 -3.960 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.332 -6.696 -5.186 1.00 0.00 O ATOM 0 H GLU B 101 10.347 -6.918 -1.521 1.00 0.00 H new ATOM 0 HA GLU B 101 13.151 -6.542 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.200 -8.785 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.739 -8.141 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.355 -9.074 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.960 -7.390 -5.408 1.00 0.00 H new ATOM 1570 N HIS B 102 10.557 -4.985 -3.651 1.00 0.00 N ATOM 1571 CA HIS B 102 10.184 -3.909 -4.624 1.00 0.00 C ATOM 1572 C HIS B 102 10.324 -2.527 -3.987 1.00 0.00 C ATOM 1573 O HIS B 102 10.214 -1.523 -4.659 1.00 0.00 O ATOM 1574 CB HIS B 102 8.742 -4.115 -5.101 1.00 0.00 C ATOM 1575 CG HIS B 102 8.644 -5.421 -5.843 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.473 -6.178 -5.892 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.568 -6.121 -6.581 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.734 -7.270 -6.636 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.993 -7.285 -7.078 1.00 0.00 N ATOM 0 H HIS B 102 9.824 -5.252 -2.993 1.00 0.00 H new ATOM 0 HA HIS B 102 10.861 -3.967 -5.476 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.062 -4.116 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.440 -3.292 -5.749 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.589 -5.813 -6.750 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.010 -8.042 -6.850 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.438 -7.998 -7.656 1.00 0.00 H new ATOM 1587 N PHE B 103 10.599 -2.449 -2.716 1.00 0.00 N ATOM 1588 CA PHE B 103 10.775 -1.108 -2.108 1.00 0.00 C ATOM 1589 C PHE B 103 12.180 -0.649 -2.446 1.00 0.00 C ATOM 1590 O PHE B 103 13.152 -1.166 -1.933 1.00 0.00 O ATOM 1591 CB PHE B 103 10.591 -1.149 -0.591 1.00 0.00 C ATOM 1592 CG PHE B 103 10.438 0.270 -0.088 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.371 1.061 -0.537 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.370 0.804 0.811 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.239 2.380 -0.091 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.232 2.124 1.258 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.169 2.911 0.807 1.00 0.00 C ATOM 0 H PHE B 103 10.707 -3.242 -2.084 1.00 0.00 H new ATOM 0 HA PHE B 103 10.024 -0.422 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.712 -1.740 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.448 -1.628 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.650 0.651 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.194 0.199 1.159 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.418 2.988 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.949 2.535 1.953 1.00 0.00 H new ATOM 0 HZ PHE B 103 10.066 3.929 1.152 1.00 0.00 H new ATOM 1607 N VAL B 104 12.299 0.277 -3.347 1.00 0.00 N ATOM 1608 CA VAL B 104 13.644 0.733 -3.776 1.00 0.00 C ATOM 1609 C VAL B 104 13.721 2.251 -3.821 1.00 0.00 C ATOM 1610 O VAL B 104 12.746 2.955 -3.643 1.00 0.00 O ATOM 1611 CB VAL B 104 13.909 0.213 -5.189 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.813 -1.318 -5.230 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.870 0.822 -6.139 1.00 0.00 C ATOM 0 H VAL B 104 11.517 0.742 -3.809 1.00 0.00 H new ATOM 0 HA VAL B 104 14.377 0.356 -3.062 1.00 0.00 H new ATOM 0 HB VAL B 104 14.915 0.500 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.005 -1.668 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.551 -1.747 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.815 -1.628 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.047 0.460 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.870 0.531 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.955 1.909 -6.122 1.00 0.00 H new ATOM 1623 N CYS B 105 14.891 2.743 -4.092 1.00 0.00 N ATOM 1624 CA CYS B 105 15.096 4.208 -4.199 1.00 0.00 C ATOM 1625 C CYS B 105 14.261 4.750 -5.356 1.00 0.00 C ATOM 1626 O CYS B 105 14.023 4.071 -6.336 1.00 0.00 O ATOM 1627 CB CYS B 105 16.575 4.460 -4.471 1.00 0.00 C ATOM 1628 SG CYS B 105 16.808 6.097 -5.207 1.00 0.00 S ATOM 0 H CYS B 105 15.729 2.182 -4.247 1.00 0.00 H new ATOM 0 HA CYS B 105 14.793 4.706 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.140 4.388 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.964 3.694 -5.141 1.00 0.00 H new ATOM 0 HG CYS B 105 18.078 6.367 -5.272 1.00 0.00 H new ATOM 1633 N ALA B 106 13.805 5.965 -5.251 1.00 0.00 N ATOM 1634 CA ALA B 106 12.982 6.549 -6.342 1.00 0.00 C ATOM 1635 C ALA B 106 13.885 7.294 -7.330 1.00 0.00 C ATOM 1636 O ALA B 106 13.473 8.238 -7.974 1.00 0.00 O ATOM 1637 CB ALA B 106 11.975 7.515 -5.725 1.00 0.00 C ATOM 0 H ALA B 106 13.968 6.580 -4.454 1.00 0.00 H new ATOM 0 HA ALA B 106 12.457 5.759 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.362 7.953 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.336 6.977 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.507 8.306 -5.196 1.00 0.00 H new ATOM 1643 N LYS B 107 15.117 6.869 -7.457 1.00 0.00 N ATOM 1644 CA LYS B 107 16.060 7.546 -8.405 1.00 0.00 C ATOM 1645 C LYS B 107 16.898 6.504 -9.147 1.00 0.00 C ATOM 1646 O LYS B 107 17.297 6.708 -10.278 1.00 0.00 O ATOM 1647 CB LYS B 107 17.005 8.466 -7.624 1.00 0.00 C ATOM 1648 CG LYS B 107 17.917 9.228 -8.591 1.00 0.00 C ATOM 1649 CD LYS B 107 17.073 10.090 -9.540 1.00 0.00 C ATOM 1650 CE LYS B 107 17.862 11.339 -9.946 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.757 12.365 -8.866 1.00 0.00 N ATOM 0 H LYS B 107 15.513 6.081 -6.945 1.00 0.00 H new ATOM 0 HA LYS B 107 15.477 8.126 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.427 9.170 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.607 7.878 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.608 9.859 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.521 8.525 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.804 9.515 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.142 10.379 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.907 11.082 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.474 11.740 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.917 13.310 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.809 12.326 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.472 12.174 -8.135 1.00 0.00 H new ATOM 1665 N CYS B 108 17.190 5.398 -8.514 1.00 0.00 N ATOM 1666 CA CYS B 108 18.030 4.352 -9.173 1.00 0.00 C ATOM 1667 C CYS B 108 17.347 2.990 -9.076 1.00 0.00 C ATOM 1668 O CYS B 108 17.704 2.060 -9.768 1.00 0.00 O ATOM 1669 CB CYS B 108 19.375 4.289 -8.457 1.00 0.00 C ATOM 1670 SG CYS B 108 19.107 3.746 -6.756 1.00 0.00 S ATOM 0 H CYS B 108 16.883 5.173 -7.568 1.00 0.00 H new ATOM 0 HA CYS B 108 18.168 4.604 -10.224 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.044 3.600 -8.972 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.855 5.268 -8.469 1.00 0.00 H new ATOM 0 HG CYS B 108 18.392 4.630 -6.126 1.00 0.00 H new ATOM 1675 N GLU B 109 16.369 2.864 -8.222 1.00 0.00 N ATOM 1676 CA GLU B 109 15.661 1.568 -8.075 1.00 0.00 C ATOM 1677 C GLU B 109 16.564 0.551 -7.378 1.00 0.00 C ATOM 1678 O GLU B 109 16.675 -0.581 -7.798 1.00 0.00 O ATOM 1679 CB GLU B 109 15.234 1.031 -9.448 1.00 0.00 C ATOM 1680 CG GLU B 109 14.735 2.185 -10.329 1.00 0.00 C ATOM 1681 CD GLU B 109 13.713 1.655 -11.337 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.564 1.495 -10.960 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.096 1.423 -12.472 1.00 0.00 O ATOM 0 H GLU B 109 16.030 3.611 -7.616 1.00 0.00 H new ATOM 0 HA GLU B 109 14.770 1.728 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.074 0.531 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.447 0.287 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.282 2.959 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.573 2.645 -10.853 1.00 0.00 H new ATOM 1690 N LYS B 110 17.181 0.942 -6.293 1.00 0.00 N ATOM 1691 CA LYS B 110 18.045 -0.008 -5.537 1.00 0.00 C ATOM 1692 C LYS B 110 17.242 -0.496 -4.319 1.00 0.00 C ATOM 1693 O LYS B 110 16.981 0.276 -3.419 1.00 0.00 O ATOM 1694 CB LYS B 110 19.317 0.704 -5.067 1.00 0.00 C ATOM 1695 CG LYS B 110 20.384 -0.336 -4.699 1.00 0.00 C ATOM 1696 CD LYS B 110 20.342 -0.618 -3.195 1.00 0.00 C ATOM 1697 CE LYS B 110 21.426 -1.636 -2.835 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.739 -1.172 -3.367 1.00 0.00 N ATOM 0 H LYS B 110 17.122 1.881 -5.899 1.00 0.00 H new ATOM 0 HA LYS B 110 18.335 -0.847 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.690 1.360 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.096 1.334 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.213 -1.258 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.372 0.028 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.496 0.306 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.361 -1.001 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.482 -1.757 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.177 -2.612 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.509 -1.639 -2.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.809 -1.411 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.817 -0.142 -3.249 1.00 0.00 H new ATOM 1712 N PRO B 111 16.834 -1.746 -4.335 1.00 0.00 N ATOM 1713 CA PRO B 111 16.016 -2.308 -3.245 1.00 0.00 C ATOM 1714 C PRO B 111 16.802 -2.447 -1.951 1.00 0.00 C ATOM 1715 O PRO B 111 17.935 -2.883 -1.929 1.00 0.00 O ATOM 1716 CB PRO B 111 15.594 -3.693 -3.745 1.00 0.00 C ATOM 1717 CG PRO B 111 16.363 -3.973 -5.054 1.00 0.00 C ATOM 1718 CD PRO B 111 17.145 -2.698 -5.418 1.00 0.00 C ATOM 0 HA PRO B 111 15.172 -1.657 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.820 -4.454 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.518 -3.726 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.043 -4.815 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.672 -4.240 -5.854 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.216 -2.894 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.837 -2.308 -6.388 1.00 0.00 H new ATOM 1726 N PHE B 112 16.174 -2.107 -0.866 1.00 0.00 N ATOM 1727 CA PHE B 112 16.840 -2.243 0.464 1.00 0.00 C ATOM 1728 C PHE B 112 16.428 -3.575 1.094 1.00 0.00 C ATOM 1729 O PHE B 112 15.896 -3.612 2.186 1.00 0.00 O ATOM 1730 CB PHE B 112 17.196 -0.931 2.124 1.00 0.00 C ATOM 1731 CG PHE B 112 16.191 0.145 0.599 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.976 0.342 -0.065 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.191 1.118 0.533 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.764 1.517 -0.798 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.980 2.289 -0.198 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.768 2.491 -0.863 1.00 0.00 C ATOM 0 H PHE B 112 15.223 -1.738 -0.837 1.00 0.00 H new ATOM 0 HA PHE B 112 17.767 -1.959 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.679 -1.119 3.065 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.222 -0.660 2.372 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.203 -0.410 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.128 0.965 1.048 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.827 1.671 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.755 3.040 -0.249 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.606 3.398 -1.427 1.00 0.00 H new ATOM 1745 N LEU B 113 16.661 -4.663 0.416 1.00 0.00 N ATOM 1746 CA LEU B 113 16.275 -5.990 0.985 1.00 0.00 C ATOM 1747 C LEU B 113 16.564 -5.993 2.485 1.00 0.00 C ATOM 1748 O LEU B 113 15.695 -6.242 3.300 1.00 0.00 O ATOM 1749 CB LEU B 113 17.099 -7.088 0.308 1.00 0.00 C ATOM 1750 CG LEU B 113 16.391 -7.548 -0.969 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.211 -6.353 -1.887 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.230 -8.608 -1.681 1.00 0.00 C ATOM 0 H LEU B 113 17.100 -4.694 -0.504 1.00 0.00 H new ATOM 0 HA LEU B 113 15.214 -6.171 0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.095 -6.714 0.069 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.229 -7.930 0.987 1.00 0.00 H new ATOM 0 HG LEU B 113 15.422 -7.976 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.707 -6.669 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.610 -5.595 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.187 -5.935 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.718 -8.929 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.201 -8.188 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.370 -9.464 -1.021 1.00 0.00 H new ATOM 1764 N GLY B 114 17.778 -5.702 2.849 1.00 0.00 N ATOM 1765 CA GLY B 114 18.150 -5.663 4.291 1.00 0.00 C ATOM 1766 C GLY B 114 18.986 -4.413 4.553 1.00 0.00 C ATOM 1767 O GLY B 114 19.849 -4.399 5.409 1.00 0.00 O ATOM 0 H GLY B 114 18.538 -5.487 2.204 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.254 -5.654 4.911 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.714 -6.556 4.559 1.00 0.00 H new ATOM 1771 N HIS B 115 18.738 -3.361 3.816 1.00 0.00 N ATOM 1772 CA HIS B 115 19.522 -2.102 4.007 1.00 0.00 C ATOM 1773 C HIS B 115 18.597 -0.977 4.478 1.00 0.00 C ATOM 1774 O HIS B 115 17.405 -1.159 4.629 1.00 0.00 O ATOM 1775 CB HIS B 115 20.179 -1.702 2.679 1.00 0.00 C ATOM 1776 CG HIS B 115 20.515 -2.937 1.890 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.353 -3.002 0.515 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.005 -4.162 2.268 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.739 -4.229 0.119 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.145 -4.977 1.148 1.00 0.00 N ATOM 0 H HIS B 115 18.025 -3.319 3.088 1.00 0.00 H new ATOM 0 HA HIS B 115 20.292 -2.271 4.760 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.506 -1.064 2.106 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.082 -1.122 2.869 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.246 -4.450 3.281 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.722 -4.568 -0.906 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.485 -5.938 1.120 1.00 0.00 H new ATOM 1788 N ARG B 116 19.143 0.188 4.710 1.00 0.00 N ATOM 1789 CA ARG B 116 18.310 1.338 5.170 1.00 0.00 C ATOM 1790 C ARG B 116 17.887 2.175 3.961 1.00 0.00 C ATOM 1791 O ARG B 116 18.631 2.324 3.010 1.00 0.00 O ATOM 1792 CB ARG B 116 19.136 2.207 6.128 1.00 0.00 C ATOM 1793 CG ARG B 116 18.487 3.587 6.284 1.00 0.00 C ATOM 1794 CD ARG B 116 19.100 4.313 7.483 1.00 0.00 C ATOM 1795 NE ARG B 116 18.322 5.551 7.765 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.469 6.170 8.905 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.299 5.703 9.797 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.786 7.255 9.152 1.00 0.00 N ATOM 0 H ARG B 116 20.136 0.393 4.600 1.00 0.00 H new ATOM 0 HA ARG B 116 17.423 0.967 5.683 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.210 1.720 7.100 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.152 2.316 5.748 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.635 4.174 5.377 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.411 3.480 6.423 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.096 3.661 8.357 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.141 4.564 7.277 1.00 0.00 H new ATOM 0 HE ARG B 116 17.674 5.916 7.067 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.832 4.855 9.603 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.415 6.186 10.688 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.137 7.619 8.454 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.901 7.738 10.043 1.00 0.00 H new ATOM 1812 N HIS B 117 16.704 2.735 3.994 1.00 0.00 N ATOM 1813 CA HIS B 117 16.240 3.575 2.848 1.00 0.00 C ATOM 1814 C HIS B 117 16.041 5.008 3.317 1.00 0.00 C ATOM 1815 O HIS B 117 16.081 5.307 4.496 1.00 0.00 O ATOM 1816 CB HIS B 117 14.916 3.051 2.303 1.00 0.00 C ATOM 1817 CG HIS B 117 14.010 2.699 3.448 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.021 1.449 4.047 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.053 3.427 4.115 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.098 1.463 5.030 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.482 2.645 5.114 1.00 0.00 N ATOM 0 H HIS B 117 16.040 2.647 4.764 1.00 0.00 H new ATOM 0 HA HIS B 117 16.994 3.535 2.062 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.446 3.805 1.671 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.088 2.174 1.678 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.785 4.450 3.897 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.883 0.621 5.671 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.750 2.916 5.770 1.00 0.00 H new ATOM 1829 N TYR B 118 15.843 5.901 2.392 1.00 0.00 N ATOM 1830 CA TYR B 118 15.658 7.330 2.743 1.00 0.00 C ATOM 1831 C TYR B 118 14.440 7.874 1.984 1.00 0.00 C ATOM 1832 O TYR B 118 14.230 7.563 0.830 1.00 0.00 O ATOM 1833 CB TYR B 118 16.938 8.061 2.351 1.00 0.00 C ATOM 1834 CG TYR B 118 18.109 7.262 2.883 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.431 6.019 2.311 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.858 7.738 3.965 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.488 5.263 2.821 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.912 6.973 4.476 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.225 5.737 3.906 1.00 0.00 C ATOM 1840 OH TYR B 118 21.262 4.986 4.421 1.00 0.00 O ATOM 0 H TYR B 118 15.801 5.697 1.394 1.00 0.00 H new ATOM 0 HA TYR B 118 15.474 7.470 3.808 1.00 0.00 H new ATOM 0 HB2 TYR B 118 17.004 8.161 1.268 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.944 9.069 2.765 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.859 5.647 1.474 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.622 8.696 4.405 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.735 4.311 2.375 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.486 7.340 5.314 1.00 0.00 H new ATOM 0 HH TYR B 118 21.408 4.199 3.856 1.00 0.00 H new ATOM 1850 N GLU B 119 13.614 8.653 2.639 1.00 0.00 N ATOM 1851 CA GLU B 119 12.381 9.179 1.972 1.00 0.00 C ATOM 1852 C GLU B 119 12.516 10.667 1.654 1.00 0.00 C ATOM 1853 O GLU B 119 13.157 11.417 2.362 1.00 0.00 O ATOM 1854 CB GLU B 119 11.186 8.978 2.911 1.00 0.00 C ATOM 1855 CG GLU B 119 10.661 7.550 2.776 1.00 0.00 C ATOM 1856 CD GLU B 119 9.647 7.269 3.886 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.479 7.552 3.682 1.00 0.00 O ATOM 1858 OE2 GLU B 119 10.058 6.775 4.925 1.00 0.00 O ATOM 0 H GLU B 119 13.740 8.948 3.607 1.00 0.00 H new ATOM 0 HA GLU B 119 12.235 8.638 1.037 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.484 9.170 3.942 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.397 9.690 2.669 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.194 7.414 1.800 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.487 6.841 2.836 1.00 0.00 H new ATOM 1865 N ARG B 120 11.893 11.097 0.587 1.00 0.00 N ATOM 1866 CA ARG B 120 11.955 12.538 0.210 1.00 0.00 C ATOM 1867 C ARG B 120 10.694 12.941 -0.564 1.00 0.00 C ATOM 1868 O ARG B 120 10.306 12.306 -1.524 1.00 0.00 O ATOM 1869 CB ARG B 120 13.175 12.797 -0.670 1.00 0.00 C ATOM 1870 CG ARG B 120 13.305 14.305 -0.947 1.00 0.00 C ATOM 1871 CD ARG B 120 13.306 14.560 -2.454 1.00 0.00 C ATOM 1872 NE ARG B 120 12.144 13.872 -3.085 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.791 14.174 -4.305 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.459 15.074 -4.973 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.772 13.571 -4.856 1.00 0.00 N ATOM 0 H ARG B 120 11.343 10.510 -0.040 1.00 0.00 H new ATOM 0 HA ARG B 120 12.026 13.127 1.124 1.00 0.00 H new ATOM 0 HB2 ARG B 120 14.075 12.429 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG B 120 13.080 12.252 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.480 14.842 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.225 14.687 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG B 120 13.256 15.631 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG B 120 14.236 14.198 -2.892 1.00 0.00 H new ATOM 0 HE ARG B 120 11.625 13.165 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG B 120 13.257 15.541 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG B 120 12.184 15.310 -5.926 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.253 12.865 -4.333 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.495 13.806 -5.809 1.00 0.00 H new ATOM 1889 N LYS B 121 10.066 14.005 -0.147 1.00 0.00 N ATOM 1890 CA LYS B 121 8.837 14.485 -0.836 1.00 0.00 C ATOM 1891 C LYS B 121 7.856 13.337 -0.980 1.00 0.00 C ATOM 1892 O LYS B 121 6.987 13.350 -1.828 1.00 0.00 O ATOM 1893 CB LYS B 121 9.193 15.032 -2.220 1.00 0.00 C ATOM 1894 CG LYS B 121 10.000 16.326 -2.072 1.00 0.00 C ATOM 1895 CD LYS B 121 10.029 17.063 -3.409 1.00 0.00 C ATOM 1896 CE LYS B 121 10.790 18.381 -3.249 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.964 19.339 -2.461 1.00 0.00 N ATOM 0 H LYS B 121 10.356 14.569 0.652 1.00 0.00 H new ATOM 0 HA LYS B 121 8.383 15.280 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.771 14.293 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS B 121 8.284 15.222 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.554 16.959 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS B 121 11.016 16.099 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.508 16.444 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS B 121 9.013 17.257 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.741 18.205 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS B 121 11.020 18.802 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 10.342 20.301 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.981 19.310 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.992 19.076 -1.455 1.00 0.00 H new ATOM 1911 N GLY B 122 7.980 12.345 -0.153 1.00 0.00 N ATOM 1912 CA GLY B 122 7.040 11.201 -0.241 1.00 0.00 C ATOM 1913 C GLY B 122 7.556 10.190 -1.256 1.00 0.00 C ATOM 1914 O GLY B 122 6.800 9.500 -1.907 1.00 0.00 O ATOM 0 H GLY B 122 8.688 12.276 0.578 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.934 10.729 0.736 1.00 0.00 H new ATOM 0 HA3 GLY B 122 6.051 11.552 -0.534 1.00 0.00 H new ATOM 1918 N LEU B 123 8.845 10.098 -1.390 1.00 0.00 N ATOM 1919 CA LEU B 123 9.435 9.126 -2.350 1.00 0.00 C ATOM 1920 C LEU B 123 10.713 8.553 -1.748 1.00 0.00 C ATOM 1921 O LEU B 123 11.456 9.238 -1.072 1.00 0.00 O ATOM 1922 CB LEU B 123 9.759 9.821 -3.674 1.00 0.00 C ATOM 1923 CG LEU B 123 8.506 9.909 -4.546 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.858 10.648 -5.838 1.00 0.00 C ATOM 1925 CD2 LEU B 123 8.000 8.497 -4.875 1.00 0.00 C ATOM 0 H LEU B 123 9.522 10.658 -0.872 1.00 0.00 H new ATOM 0 HA LEU B 123 8.720 8.326 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU B 123 10.148 10.821 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.539 9.271 -4.200 1.00 0.00 H new ATOM 0 HG LEU B 123 7.722 10.447 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.973 10.718 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.213 11.650 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.639 10.103 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.107 8.566 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.774 7.949 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.759 7.972 -3.951 1.00 0.00 H new ATOM 1937 N ALA B 124 10.966 7.297 -1.970 1.00 0.00 N ATOM 1938 CA ALA B 124 12.184 6.679 -1.388 1.00 0.00 C ATOM 1939 C ALA B 124 13.422 7.091 -2.171 1.00 0.00 C ATOM 1940 O ALA B 124 13.369 7.373 -3.350 1.00 0.00 O ATOM 1941 CB ALA B 124 12.066 5.157 -1.448 1.00 0.00 C ATOM 0 H ALA B 124 10.383 6.673 -2.528 1.00 0.00 H new ATOM 0 HA ALA B 124 12.276 7.017 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.961 4.706 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.192 4.837 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.961 4.841 -2.486 1.00 0.00 H new ATOM 1947 N TYR B 125 14.548 7.100 -1.516 1.00 0.00 N ATOM 1948 CA TYR B 125 15.809 7.459 -2.201 1.00 0.00 C ATOM 1949 C TYR B 125 16.962 6.797 -1.473 1.00 0.00 C ATOM 1950 O TYR B 125 16.982 6.738 -0.267 1.00 0.00 O ATOM 1951 CB TYR B 125 16.001 8.968 -2.171 1.00 0.00 C ATOM 1952 CG TYR B 125 15.093 9.599 -3.179 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.463 9.643 -4.525 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.878 10.137 -2.768 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.603 10.232 -5.464 1.00 0.00 C ATOM 1956 CE2 TYR B 125 13.025 10.722 -3.694 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.381 10.771 -5.045 1.00 0.00 C ATOM 1958 OH TYR B 125 12.530 11.353 -5.963 1.00 0.00 O ATOM 0 H TYR B 125 14.645 6.871 -0.527 1.00 0.00 H new ATOM 0 HA TYR B 125 15.772 7.123 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.783 9.355 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR B 125 17.039 9.219 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.407 9.225 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.597 10.100 -1.726 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.883 10.269 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR B 125 12.084 11.140 -3.370 1.00 0.00 H new ATOM 0 HH TYR B 125 11.603 11.244 -5.664 1.00 0.00 H new ATOM 1968 N CYS B 126 17.929 6.296 -2.178 1.00 0.00 N ATOM 1969 CA CYS B 126 19.060 5.656 -1.465 1.00 0.00 C ATOM 1970 C CYS B 126 19.676 6.686 -0.512 1.00 0.00 C ATOM 1971 O CYS B 126 19.278 7.833 -0.481 1.00 0.00 O ATOM 1972 CB CYS B 126 20.137 5.218 -2.456 1.00 0.00 C ATOM 1973 SG CYS B 126 19.525 3.861 -3.473 1.00 0.00 S ATOM 0 H CYS B 126 17.987 6.300 -3.196 1.00 0.00 H new ATOM 0 HA CYS B 126 18.693 4.784 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.423 6.058 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS B 126 21.032 4.905 -1.918 1.00 0.00 H new ATOM 0 HG CYS B 126 19.401 4.262 -4.703 1.00 0.00 H new ATOM 1978 N GLU B 127 20.659 6.289 0.242 1.00 0.00 N ATOM 1979 CA GLU B 127 21.323 7.249 1.173 1.00 0.00 C ATOM 1980 C GLU B 127 21.994 8.360 0.366 1.00 0.00 C ATOM 1981 O GLU B 127 22.054 9.500 0.782 1.00 0.00 O ATOM 1982 CB GLU B 127 22.407 6.519 1.971 1.00 0.00 C ATOM 1983 CG GLU B 127 22.940 7.433 3.081 1.00 0.00 C ATOM 1984 CD GLU B 127 23.714 6.601 4.104 1.00 0.00 C ATOM 1985 OE1 GLU B 127 24.155 5.520 3.747 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.850 7.056 5.226 1.00 0.00 O ATOM 0 H GLU B 127 21.035 5.341 0.257 1.00 0.00 H new ATOM 0 HA GLU B 127 20.574 7.668 1.845 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.999 5.605 2.404 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.221 6.223 1.309 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.588 8.199 2.655 1.00 0.00 H new ATOM 0 HG3 GLU B 127 22.113 7.950 3.568 1.00 0.00 H new ATOM 1993 N THR B 128 22.532 8.020 -0.772 1.00 0.00 N ATOM 1994 CA THR B 128 23.239 9.031 -1.610 1.00 0.00 C ATOM 1995 C THR B 128 22.272 9.769 -2.528 1.00 0.00 C ATOM 1996 O THR B 128 22.352 10.970 -2.671 1.00 0.00 O ATOM 1997 CB THR B 128 24.305 8.330 -2.456 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.289 7.764 -1.601 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.962 9.339 -3.396 1.00 0.00 C ATOM 0 H THR B 128 22.512 7.077 -1.161 1.00 0.00 H new ATOM 0 HA THR B 128 23.701 9.761 -0.945 1.00 0.00 H new ATOM 0 HB THR B 128 23.838 7.541 -3.046 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.971 7.313 -2.141 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.720 8.837 -3.997 1.00 0.00 H new ATOM 0 HG22 THR B 128 24.206 9.770 -4.052 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.429 10.131 -2.811 1.00 0.00 H new ATOM 2007 N HIS B 129 21.367 9.084 -3.157 1.00 0.00 N ATOM 2008 CA HIS B 129 20.434 9.787 -4.059 1.00 0.00 C ATOM 2009 C HIS B 129 19.553 10.685 -3.217 1.00 0.00 C ATOM 2010 O HIS B 129 19.343 11.837 -3.534 1.00 0.00 O ATOM 2011 CB HIS B 129 19.601 8.769 -4.837 1.00 0.00 C ATOM 2012 CG HIS B 129 20.535 7.944 -5.694 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.402 6.567 -5.880 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.645 8.307 -6.423 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.406 6.172 -6.688 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.188 7.189 -7.045 1.00 0.00 N ATOM 0 H HIS B 129 21.235 8.075 -3.085 1.00 0.00 H new ATOM 0 HA HIS B 129 20.979 10.392 -4.784 1.00 0.00 H new ATOM 0 HB2 HIS B 129 19.049 8.127 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.865 9.278 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS B 129 22.036 9.311 -6.500 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.558 5.152 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.011 7.155 -7.647 1.00 0.00 H new ATOM 2024 N TYR B 130 19.074 10.194 -2.118 1.00 0.00 N ATOM 2025 CA TYR B 130 18.253 11.040 -1.244 1.00 0.00 C ATOM 2026 C TYR B 130 19.029 12.311 -0.994 1.00 0.00 C ATOM 2027 O TYR B 130 18.579 13.409 -1.249 1.00 0.00 O ATOM 2028 CB TYR B 130 18.067 10.328 0.084 1.00 0.00 C ATOM 2029 CG TYR B 130 17.470 11.278 1.091 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.500 12.200 0.691 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.891 11.239 2.425 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.951 13.077 1.619 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.337 12.121 3.358 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.366 13.042 2.954 1.00 0.00 C ATOM 2035 OH TYR B 130 15.816 13.914 3.873 1.00 0.00 O ATOM 0 H TYR B 130 19.220 9.239 -1.791 1.00 0.00 H new ATOM 0 HA TYR B 130 17.284 11.248 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.416 9.463 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR B 130 19.026 9.955 0.445 1.00 0.00 H new ATOM 0 HD1 TYR B 130 16.177 12.231 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.643 10.528 2.734 1.00 0.00 H new ATOM 0 HE1 TYR B 130 15.201 13.789 1.308 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.659 12.091 4.389 1.00 0.00 H new ATOM 0 HH TYR B 130 16.457 14.628 4.071 1.00 0.00 H new ATOM 2045 N ASN B 131 20.207 12.142 -0.491 1.00 0.00 N ATOM 2046 CA ASN B 131 21.053 13.312 -0.208 1.00 0.00 C ATOM 2047 C ASN B 131 21.394 14.007 -1.517 1.00 0.00 C ATOM 2048 O ASN B 131 21.304 15.215 -1.628 1.00 0.00 O ATOM 2049 CB ASN B 131 22.332 12.871 0.502 1.00 0.00 C ATOM 2050 CG ASN B 131 22.036 12.600 1.978 1.00 0.00 C ATOM 2051 OD1 ASN B 131 22.039 13.508 2.788 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.780 11.381 2.366 1.00 0.00 N ATOM 0 H ASN B 131 20.621 11.238 -0.263 1.00 0.00 H new ATOM 0 HA ASN B 131 20.516 14.004 0.441 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.730 11.973 0.030 1.00 0.00 H new ATOM 0 HB3 ASN B 131 23.095 13.644 0.410 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.582 11.189 3.348 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.777 10.620 1.687 1.00 0.00 H new ATOM 2059 N GLN B 132 21.764 13.266 -2.529 1.00 0.00 N ATOM 2060 CA GLN B 132 22.072 13.931 -3.826 1.00 0.00 C ATOM 2061 C GLN B 132 20.856 14.761 -4.192 1.00 0.00 C ATOM 2062 O GLN B 132 20.951 15.833 -4.758 1.00 0.00 O ATOM 2063 CB GLN B 132 22.331 12.887 -4.921 1.00 0.00 C ATOM 2064 CG GLN B 132 23.111 13.533 -6.069 1.00 0.00 C ATOM 2065 CD GLN B 132 24.573 13.710 -5.660 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.915 13.570 -4.502 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.460 14.015 -6.568 1.00 0.00 N ATOM 0 H GLN B 132 21.864 12.251 -2.515 1.00 0.00 H new ATOM 0 HA GLN B 132 22.966 14.548 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.894 12.048 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.386 12.488 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN B 132 23.045 12.911 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.674 14.499 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN B 132 25.175 14.133 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.438 14.135 -6.305 1.00 0.00 H new ATOM 2076 N LEU B 133 19.708 14.263 -3.843 1.00 0.00 N ATOM 2077 CA LEU B 133 18.444 14.991 -4.123 1.00 0.00 C ATOM 2078 C LEU B 133 18.258 16.099 -3.088 1.00 0.00 C ATOM 2079 O LEU B 133 17.738 17.158 -3.383 1.00 0.00 O ATOM 2080 CB LEU B 133 17.267 14.007 -4.028 1.00 0.00 C ATOM 2081 CG LEU B 133 16.955 13.399 -5.405 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.738 12.099 -5.607 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.463 13.094 -5.487 1.00 0.00 C ATOM 0 H LEU B 133 19.590 13.368 -3.368 1.00 0.00 H new ATOM 0 HA LEU B 133 18.483 15.427 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.506 13.213 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.386 14.522 -3.644 1.00 0.00 H new ATOM 0 HG LEU B 133 17.243 14.111 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.505 11.682 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.807 12.305 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.461 11.383 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.233 12.662 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU B 133 15.193 12.386 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.896 14.015 -5.355 1.00 0.00 H new ATOM 2095 N PHE B 134 18.664 15.859 -1.874 1.00 0.00 N ATOM 2096 CA PHE B 134 18.497 16.892 -0.813 1.00 0.00 C ATOM 2097 C PHE B 134 19.478 16.634 0.330 1.00 0.00 C ATOM 2098 O PHE B 134 20.526 17.243 0.418 1.00 0.00 O ATOM 2099 CB PHE B 134 17.062 16.824 -0.273 1.00 0.00 C ATOM 2100 CG PHE B 134 16.159 17.678 -1.127 1.00 0.00 C ATOM 2101 CD1 PHE B 134 16.054 19.054 -0.880 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.433 17.096 -2.168 1.00 0.00 C ATOM 2103 CE1 PHE B 134 15.216 19.845 -1.677 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.595 17.885 -2.967 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.488 19.259 -2.719 1.00 0.00 C ATOM 0 H PHE B 134 19.105 14.991 -1.569 1.00 0.00 H new ATOM 0 HA PHE B 134 18.694 17.878 -1.235 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.711 15.792 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE B 134 17.035 17.169 0.761 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.618 19.504 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.517 16.036 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE B 134 15.132 20.905 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE B 134 14.033 17.435 -3.772 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.842 19.868 -3.334 1.00 0.00 H new ATOM 2115 N GLY B 135 19.135 15.739 1.208 1.00 0.00 N ATOM 2116 CA GLY B 135 20.031 15.435 2.363 1.00 0.00 C ATOM 2117 C GLY B 135 19.724 16.391 3.515 1.00 0.00 C ATOM 2118 O GLY B 135 20.590 16.748 4.289 1.00 0.00 O ATOM 0 H GLY B 135 18.269 15.200 1.179 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.889 14.404 2.685 1.00 0.00 H new ATOM 0 HA3 GLY B 135 21.074 15.534 2.063 1.00 0.00 H new ATOM 2122 N ASP B 136 18.493 16.811 3.635 1.00 0.00 N ATOM 2123 CA ASP B 136 18.128 17.743 4.735 1.00 0.00 C ATOM 2124 C ASP B 136 19.131 18.898 4.783 1.00 0.00 C ATOM 2125 O ASP B 136 19.686 19.208 5.817 1.00 0.00 O ATOM 2126 CB ASP B 136 18.149 16.995 6.068 1.00 0.00 C ATOM 2127 CG ASP B 136 16.934 16.066 6.152 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.293 15.869 5.132 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.668 15.570 7.233 1.00 0.00 O ATOM 0 H ASP B 136 17.725 16.547 3.017 1.00 0.00 H new ATOM 0 HA ASP B 136 17.128 18.138 4.556 1.00 0.00 H new ATOM 0 HB2 ASP B 136 19.069 16.417 6.158 1.00 0.00 H new ATOM 0 HB3 ASP B 136 18.136 17.704 6.895 1.00 0.00 H new ATOM 2134 N VAL B 137 19.369 19.536 3.670 1.00 0.00 N ATOM 2135 CA VAL B 137 20.337 20.670 3.654 1.00 0.00 C ATOM 2136 C VAL B 137 20.114 21.514 2.396 1.00 0.00 C ATOM 2137 O VAL B 137 20.531 21.291 2.361 1.00 0.00 O ATOM 2138 CB VAL B 137 21.764 20.121 3.653 1.00 0.00 C ATOM 2139 CG1 VAL B 137 22.014 19.349 2.355 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.756 21.283 3.752 1.00 0.00 C ATOM 0 H VAL B 137 18.936 19.322 2.772 1.00 0.00 H new ATOM 0 HA VAL B 137 20.186 21.289 4.538 1.00 0.00 H new ATOM 0 HB VAL B 137 21.897 19.453 4.504 1.00 0.00 H new ATOM 0 HG11 VAL B 137 23.031 18.958 2.355 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.307 18.522 2.281 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.882 20.016 1.503 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.774 20.893 3.751 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.622 21.949 2.900 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.579 21.835 4.675 1.00 0.00 H new