USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1558 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 62 SER OG : rot -72:sc= 1.3 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 121 CYS SG : rot 47:sc= 0.987 USER MOD Set 2.2: A 125 ASN : amide:sc= 1.05 K(o=2,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 2.43 (180deg=2.24) USER MOD Single : A 31 MET CE :methyl -165:sc= -0.161 (180deg=-0.608) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -35:sc= 0.58 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00894) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 51 GLN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 52 THR OG1 : rot 63:sc= 1.38 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.915 K(o=0.91,f=-5.3!) USER MOD Single : A 60 CYS SG : rot -95:sc= -0.255 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 68 ASN : amide:sc= -0.0705 K(o=-0.071,f=-1.6!) USER MOD Single : A 80 CYS SG : rot 81:sc= -2.41! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 87 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.64) USER MOD Single : A 88 CYS SG : rot -140:sc= -0.817 USER MOD Single : A 90 SER OG : rot 180:sc= 0.161 USER MOD Single : A 94 TYR OH : rot -124:sc= -0.415! USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.425) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 169:sc=-0.00496 (180deg=-0.113) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 1.42 K(o=1.4,f=-4.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 116 GLN : amide:sc= -0.928 K(o=-0.93,f=-0.25) USER MOD Single : A 120 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=-0.29) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.931 K(o=0.93,f=-4.7!) USER MOD Single : A 130 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.4!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot -80:sc= 1.04 USER MOD Single : B 38 LYS NZ :NH3+ -174:sc= 2.04 (180deg=1.88) USER MOD Single : B 39 THR OG1 : rot -16:sc= 1.14 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.7!) USER MOD Single : B 52 SER OG : rot -114:sc= -1.43 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 1.23 K(o=1.2,f=-0.32) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.17) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.194 K(o=-0.19,f=-2) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 79 LYS NZ :NH3+ -111:sc= -0.151 (180deg=-2.66!) USER MOD Single : B 82 LYS NZ :NH3+ -172:sc= 0.592 (180deg=0.555) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.09) USER MOD Single : B 90 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.12) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : B 99 HIS : no HE2:sc= -1.48! C(o=-0.1!,f=-7.4!) USER MOD Single : B 103 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.664 21.655 7.451 1.00 0.79 N ATOM 2 CA LYS A 21 -12.911 20.855 7.464 1.00 0.63 C ATOM 3 C LYS A 21 -12.641 19.430 6.993 1.00 0.53 C ATOM 4 O LYS A 21 -11.520 19.099 6.606 1.00 0.61 O ATOM 5 CB LYS A 21 -13.972 21.497 6.563 1.00 0.62 C ATOM 6 CG LYS A 21 -13.557 21.592 5.104 1.00 0.66 C ATOM 7 CD LYS A 21 -14.739 21.918 4.204 1.00 0.77 C ATOM 8 CE LYS A 21 -15.316 23.291 4.504 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.484 23.607 3.642 1.00 1.10 N ATOM 0 HA LYS A 21 -13.281 20.827 8.489 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.893 20.919 6.633 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.194 22.497 6.934 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.792 22.360 4.992 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.110 20.649 4.790 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.424 21.876 3.161 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.514 21.162 4.334 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.616 23.337 5.551 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.544 24.047 4.360 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.846 24.552 3.881 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.194 23.589 2.644 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.232 22.901 3.798 1.00 1.10 H new ATOM 23 N TYR A 22 -13.669 18.591 7.028 1.00 0.49 N ATOM 24 CA TYR A 22 -13.542 17.207 6.591 1.00 0.49 C ATOM 25 C TYR A 22 -13.932 17.091 5.123 1.00 0.47 C ATOM 26 O TYR A 22 -14.989 17.580 4.720 1.00 0.57 O ATOM 27 CB TYR A 22 -14.439 16.281 7.420 1.00 0.56 C ATOM 28 CG TYR A 22 -14.265 16.390 8.922 1.00 0.55 C ATOM 29 CD1 TYR A 22 -13.080 16.851 9.491 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.295 16.014 9.774 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.933 16.936 10.861 1.00 0.60 C ATOM 32 CE2 TYR A 22 -15.155 16.096 11.145 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.972 16.556 11.685 1.00 0.65 C ATOM 34 OH TYR A 22 -13.829 16.638 13.052 1.00 0.75 O ATOM 0 H TYR A 22 -14.601 18.846 7.355 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.504 16.905 6.728 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.479 16.494 7.174 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -14.245 15.251 7.122 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -12.263 17.147 8.850 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -16.222 15.651 9.357 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -12.009 17.298 11.286 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.968 15.801 11.792 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.653 16.333 13.486 1.00 0.75 H new ATOM 44 N LEU A 23 -13.091 16.445 4.330 1.00 0.41 N ATOM 45 CA LEU A 23 -13.368 16.269 2.911 1.00 0.43 C ATOM 46 C LEU A 23 -14.522 15.287 2.724 1.00 0.43 C ATOM 47 O LEU A 23 -15.540 15.611 2.120 1.00 0.52 O ATOM 48 CB LEU A 23 -12.117 15.766 2.185 1.00 0.45 C ATOM 49 CG LEU A 23 -10.869 16.629 2.376 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.638 15.919 1.835 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.041 17.985 1.703 1.00 0.70 C ATOM 0 H LEU A 23 -12.212 16.034 4.644 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.652 17.231 2.484 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -11.898 14.755 2.528 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.335 15.700 1.119 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.731 16.793 3.445 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.761 16.550 1.980 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.499 14.977 2.365 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -9.770 15.721 0.771 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.141 18.582 1.852 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.210 17.843 0.636 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -11.896 18.502 2.139 1.00 0.70 H new ATOM 63 N VAL A 24 -14.352 14.091 3.260 1.00 0.42 N ATOM 64 CA VAL A 24 -15.371 13.052 3.187 1.00 0.46 C ATOM 65 C VAL A 24 -15.686 12.592 4.603 1.00 0.43 C ATOM 66 O VAL A 24 -14.779 12.500 5.425 1.00 0.44 O ATOM 67 CB VAL A 24 -14.904 11.844 2.339 1.00 0.54 C ATOM 68 CG1 VAL A 24 -15.994 10.782 2.244 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.480 12.301 0.948 1.00 0.76 C ATOM 0 H VAL A 24 -13.507 13.811 3.757 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.257 13.464 2.704 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.043 11.397 2.837 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.636 9.946 1.642 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.245 10.428 3.244 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -16.881 11.211 1.778 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.155 11.439 0.365 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.323 12.779 0.449 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.658 13.012 1.033 1.00 0.76 H new ATOM 79 N GLU A 25 -16.955 12.337 4.896 1.00 0.45 N ATOM 80 CA GLU A 25 -17.357 11.907 6.229 1.00 0.45 C ATOM 81 C GLU A 25 -18.565 10.971 6.170 1.00 0.47 C ATOM 82 O GLU A 25 -19.563 11.268 5.512 1.00 0.55 O ATOM 83 CB GLU A 25 -17.684 13.123 7.104 1.00 0.49 C ATOM 84 CG GLU A 25 -18.622 14.118 6.435 1.00 0.56 C ATOM 85 CD GLU A 25 -19.063 15.226 7.363 1.00 0.69 C ATOM 86 OE1 GLU A 25 -20.005 15.005 8.154 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.482 16.333 7.298 1.00 0.95 O ATOM 0 H GLU A 25 -17.723 12.420 4.229 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.522 11.361 6.668 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -18.135 12.780 8.035 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.756 13.631 7.368 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -18.124 14.553 5.569 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.501 13.589 6.065 1.00 0.56 H new ATOM 94 N PHE A 26 -18.465 9.840 6.852 1.00 0.43 N ATOM 95 CA PHE A 26 -19.550 8.868 6.898 1.00 0.46 C ATOM 96 C PHE A 26 -19.467 8.045 8.176 1.00 0.45 C ATOM 97 O PHE A 26 -18.406 7.948 8.798 1.00 0.44 O ATOM 98 CB PHE A 26 -19.538 7.954 5.662 1.00 0.47 C ATOM 99 CG PHE A 26 -18.263 7.180 5.460 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.165 7.774 4.857 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.167 5.854 5.858 1.00 0.48 C ATOM 102 CE1 PHE A 26 -15.996 7.066 4.660 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.000 5.141 5.659 1.00 0.49 C ATOM 104 CZ PHE A 26 -15.915 5.746 5.059 1.00 0.51 C ATOM 0 H PHE A 26 -17.638 9.570 7.385 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.493 9.415 6.893 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.366 7.249 5.741 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.721 8.562 4.776 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.225 8.804 4.537 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -19.013 5.374 6.328 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.146 7.543 4.195 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.937 4.110 5.973 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.004 5.188 4.901 1.00 0.51 H new ATOM 114 N ARG A 27 -20.587 7.457 8.568 1.00 0.47 N ATOM 115 CA ARG A 27 -20.656 6.655 9.779 1.00 0.47 C ATOM 116 C ARG A 27 -20.315 5.200 9.482 1.00 0.45 C ATOM 117 O ARG A 27 -21.022 4.525 8.731 1.00 0.46 O ATOM 118 CB ARG A 27 -22.056 6.758 10.391 1.00 0.51 C ATOM 119 CG ARG A 27 -22.407 8.158 10.880 1.00 0.55 C ATOM 120 CD ARG A 27 -23.910 8.372 10.954 1.00 0.61 C ATOM 121 NE ARG A 27 -24.529 8.414 9.632 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.732 8.936 9.385 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.450 9.467 10.365 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.224 8.913 8.155 1.00 0.77 N ATOM 0 H ARG A 27 -21.468 7.522 8.059 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.926 7.037 10.492 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.791 6.446 9.649 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -22.131 6.061 11.226 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.968 8.319 11.865 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.968 8.897 10.210 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.361 7.570 11.539 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -24.117 9.304 11.479 1.00 0.61 H new ATOM 0 HE ARG A 27 -24.009 8.020 8.848 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -26.084 9.479 11.317 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.369 9.864 10.167 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.683 8.496 7.397 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.144 9.312 7.966 1.00 0.77 H new ATOM 138 N ALA A 28 -19.228 4.719 10.072 1.00 0.44 N ATOM 139 CA ALA A 28 -18.786 3.346 9.874 1.00 0.43 C ATOM 140 C ALA A 28 -17.958 2.872 11.063 1.00 0.42 C ATOM 141 O ALA A 28 -17.221 3.651 11.675 1.00 0.44 O ATOM 142 CB ALA A 28 -17.990 3.220 8.583 1.00 0.42 C ATOM 0 H ALA A 28 -18.633 5.265 10.696 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.668 2.711 9.796 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.669 2.187 8.453 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.615 3.514 7.740 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -17.115 3.869 8.630 1.00 0.42 H new ATOM 148 N GLY A 29 -18.091 1.596 11.387 1.00 0.43 N ATOM 149 CA GLY A 29 -17.360 1.030 12.500 1.00 0.43 C ATOM 150 C GLY A 29 -16.067 0.384 12.061 1.00 0.41 C ATOM 151 O GLY A 29 -15.959 -0.117 10.939 1.00 0.46 O ATOM 0 H GLY A 29 -18.696 0.938 10.895 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -17.145 1.813 13.227 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.982 0.290 13.003 1.00 0.43 H new ATOM 155 N LYS A 30 -15.080 0.402 12.941 1.00 0.42 N ATOM 156 CA LYS A 30 -13.781 -0.188 12.652 1.00 0.42 C ATOM 157 C LYS A 30 -13.751 -1.645 13.091 1.00 0.41 C ATOM 158 O LYS A 30 -14.722 -2.155 13.655 1.00 0.45 O ATOM 159 CB LYS A 30 -12.672 0.599 13.357 1.00 0.48 C ATOM 160 CG LYS A 30 -12.786 0.590 14.877 1.00 0.54 C ATOM 161 CD LYS A 30 -11.747 1.487 15.528 1.00 0.67 C ATOM 162 CE LYS A 30 -10.356 0.876 15.470 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.333 1.789 16.038 1.00 0.60 N ATOM 0 H LYS A 30 -15.153 0.821 13.868 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.612 -0.145 11.576 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.706 0.183 13.071 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.691 1.631 13.006 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.783 0.919 15.168 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.667 -0.429 15.244 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.739 2.456 15.029 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -12.022 1.666 16.567 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.349 -0.066 16.019 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -10.103 0.644 14.435 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.611 1.233 16.538 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.884 2.328 15.270 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.786 2.447 16.704 1.00 0.60 H new ATOM 177 N MET A 31 -12.645 -2.316 12.827 1.00 0.43 N ATOM 178 CA MET A 31 -12.486 -3.710 13.206 1.00 0.44 C ATOM 179 C MET A 31 -11.130 -3.902 13.863 1.00 0.46 C ATOM 180 O MET A 31 -10.165 -3.225 13.506 1.00 0.55 O ATOM 181 CB MET A 31 -12.629 -4.635 11.991 1.00 0.46 C ATOM 182 CG MET A 31 -13.906 -4.406 11.198 1.00 0.47 C ATOM 183 SD MET A 31 -14.437 -5.867 10.284 1.00 0.54 S ATOM 184 CE MET A 31 -15.813 -5.195 9.356 1.00 0.61 C ATOM 0 H MET A 31 -11.838 -1.916 12.348 1.00 0.43 H new ATOM 0 HA MET A 31 -13.273 -3.972 13.913 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.772 -4.492 11.333 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.602 -5.671 12.329 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.701 -4.101 11.879 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.751 -3.583 10.500 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.412 -6.011 8.951 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.431 -4.583 10.013 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.435 -4.581 8.538 1.00 0.61 H new ATOM 194 N SER A 32 -11.064 -4.798 14.828 1.00 0.49 N ATOM 195 CA SER A 32 -9.822 -5.058 15.537 1.00 0.52 C ATOM 196 C SER A 32 -9.320 -6.468 15.257 1.00 0.52 C ATOM 197 O SER A 32 -10.082 -7.436 15.319 1.00 0.54 O ATOM 198 CB SER A 32 -10.028 -4.869 17.040 1.00 0.59 C ATOM 199 OG SER A 32 -11.135 -4.017 17.302 1.00 0.93 O ATOM 0 H SER A 32 -11.856 -5.360 15.141 1.00 0.49 H new ATOM 0 HA SER A 32 -9.073 -4.350 15.183 1.00 0.52 H new ATOM 0 HB2 SER A 32 -10.191 -5.838 17.512 1.00 0.59 H new ATOM 0 HB3 SER A 32 -9.127 -4.446 17.483 1.00 0.59 H new ATOM 0 HG SER A 32 -11.246 -3.914 18.270 1.00 0.93 H new ATOM 205 N LEU A 33 -8.042 -6.579 14.937 1.00 0.54 N ATOM 206 CA LEU A 33 -7.442 -7.872 14.666 1.00 0.56 C ATOM 207 C LEU A 33 -6.979 -8.501 15.970 1.00 0.58 C ATOM 208 O LEU A 33 -5.869 -8.245 16.440 1.00 0.63 O ATOM 209 CB LEU A 33 -6.263 -7.737 13.698 1.00 0.58 C ATOM 210 CG LEU A 33 -5.604 -9.060 13.286 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.553 -9.894 12.439 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.308 -8.796 12.538 1.00 0.67 C ATOM 0 H LEU A 33 -7.401 -5.789 14.859 1.00 0.54 H new ATOM 0 HA LEU A 33 -8.190 -8.512 14.199 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.608 -7.225 12.799 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.507 -7.100 14.157 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.372 -9.624 14.189 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -6.065 -10.827 12.158 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.454 -10.113 13.011 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.821 -9.340 11.540 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.853 -9.744 12.253 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.517 -8.210 11.643 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.623 -8.244 13.181 1.00 0.67 H new ATOM 224 N LYS A 34 -7.842 -9.306 16.562 1.00 0.59 N ATOM 225 CA LYS A 34 -7.526 -9.967 17.815 1.00 0.63 C ATOM 226 C LYS A 34 -6.803 -11.279 17.549 1.00 0.65 C ATOM 227 O LYS A 34 -7.430 -12.321 17.344 1.00 0.68 O ATOM 228 CB LYS A 34 -8.800 -10.201 18.637 1.00 0.66 C ATOM 229 CG LYS A 34 -9.604 -8.932 18.870 1.00 0.68 C ATOM 230 CD LYS A 34 -10.577 -9.084 20.028 1.00 0.76 C ATOM 231 CE LYS A 34 -11.545 -7.915 20.083 1.00 0.84 C ATOM 232 NZ LYS A 34 -12.291 -7.863 21.366 1.00 1.01 N ATOM 0 H LYS A 34 -8.769 -9.518 16.194 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.865 -9.322 18.394 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.426 -10.931 18.124 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.529 -10.634 19.600 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.925 -8.104 19.072 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -10.154 -8.679 17.964 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -11.132 -10.016 19.921 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -10.025 -9.148 20.966 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.995 -6.984 19.947 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -12.252 -7.992 19.257 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.939 -7.050 21.358 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.837 -8.740 21.486 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.620 -7.763 22.154 1.00 1.01 H new ATOM 246 N GLY A 35 -5.479 -11.209 17.510 1.00 0.66 N ATOM 247 CA GLY A 35 -4.670 -12.388 17.265 1.00 0.70 C ATOM 248 C GLY A 35 -4.722 -12.823 15.813 1.00 0.70 C ATOM 249 O GLY A 35 -3.819 -12.528 15.032 1.00 0.75 O ATOM 0 H GLY A 35 -4.947 -10.349 17.645 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.637 -12.183 17.545 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -5.016 -13.203 17.900 1.00 0.70 H new ATOM 253 N THR A 36 -5.793 -13.507 15.450 1.00 0.68 N ATOM 254 CA THR A 36 -5.977 -13.989 14.093 1.00 0.70 C ATOM 255 C THR A 36 -7.452 -13.917 13.701 1.00 0.68 C ATOM 256 O THR A 36 -7.877 -14.489 12.696 1.00 0.72 O ATOM 257 CB THR A 36 -5.455 -15.439 13.951 1.00 0.75 C ATOM 258 OG1 THR A 36 -5.475 -15.853 12.578 1.00 0.82 O ATOM 259 CG2 THR A 36 -6.279 -16.405 14.792 1.00 0.77 C ATOM 0 H THR A 36 -6.556 -13.743 16.084 1.00 0.68 H new ATOM 0 HA THR A 36 -5.403 -13.350 13.422 1.00 0.70 H new ATOM 0 HB THR A 36 -4.427 -15.455 14.312 1.00 0.75 H new ATOM 0 HG1 THR A 36 -6.248 -15.453 12.127 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.889 -17.416 14.672 1.00 0.77 H new ATOM 0 HG22 THR A 36 -6.220 -16.115 15.841 1.00 0.77 H new ATOM 0 HG23 THR A 36 -7.319 -16.376 14.465 1.00 0.77 H new ATOM 267 N THR A 37 -8.230 -13.202 14.503 1.00 0.66 N ATOM 268 CA THR A 37 -9.652 -13.053 14.255 1.00 0.66 C ATOM 269 C THR A 37 -10.025 -11.581 14.107 1.00 0.61 C ATOM 270 O THR A 37 -9.829 -10.786 15.028 1.00 0.61 O ATOM 271 CB THR A 37 -10.476 -13.679 15.397 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.853 -14.896 15.843 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.898 -13.970 14.935 1.00 0.81 C ATOM 0 H THR A 37 -7.895 -12.715 15.334 1.00 0.66 H new ATOM 0 HA THR A 37 -9.881 -13.573 13.325 1.00 0.66 H new ATOM 0 HB THR A 37 -10.515 -12.969 16.223 1.00 0.71 H new ATOM 0 HG1 THR A 37 -10.382 -15.287 16.570 1.00 0.79 H new ATOM 0 HG21 THR A 37 -12.464 -14.412 15.755 1.00 0.81 H new ATOM 0 HG22 THR A 37 -12.376 -13.042 14.623 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.873 -14.665 14.096 1.00 0.81 H new ATOM 281 N VAL A 38 -10.538 -11.217 12.938 1.00 0.60 N ATOM 282 CA VAL A 38 -10.946 -9.845 12.680 1.00 0.57 C ATOM 283 C VAL A 38 -12.289 -9.585 13.348 1.00 0.57 C ATOM 284 O VAL A 38 -13.341 -9.924 12.809 1.00 0.64 O ATOM 285 CB VAL A 38 -11.056 -9.550 11.165 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.254 -8.060 10.922 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.822 -10.056 10.430 1.00 0.61 C ATOM 0 H VAL A 38 -10.681 -11.854 12.155 1.00 0.60 H new ATOM 0 HA VAL A 38 -10.183 -9.185 13.092 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.926 -10.078 10.775 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.329 -7.873 9.851 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.169 -7.730 11.413 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.405 -7.509 11.328 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.918 -9.839 9.366 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.935 -9.559 10.823 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.728 -11.132 10.574 1.00 0.61 H new ATOM 297 N THR A 39 -12.244 -9.003 14.536 1.00 0.56 N ATOM 298 CA THR A 39 -13.449 -8.723 15.296 1.00 0.58 C ATOM 299 C THR A 39 -13.963 -7.309 15.032 1.00 0.55 C ATOM 300 O THR A 39 -13.298 -6.329 15.371 1.00 0.55 O ATOM 301 CB THR A 39 -13.187 -8.886 16.803 1.00 0.64 C ATOM 302 OG1 THR A 39 -12.276 -9.970 17.022 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.483 -9.152 17.553 1.00 0.74 C ATOM 0 H THR A 39 -11.380 -8.715 14.996 1.00 0.56 H new ATOM 0 HA THR A 39 -14.206 -9.438 14.973 1.00 0.58 H new ATOM 0 HB THR A 39 -12.753 -7.959 17.178 1.00 0.64 H new ATOM 0 HG1 THR A 39 -12.111 -10.069 17.983 1.00 0.67 H new ATOM 0 HG21 THR A 39 -14.272 -9.264 18.616 1.00 0.74 H new ATOM 0 HG22 THR A 39 -15.167 -8.317 17.405 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.940 -10.067 17.176 1.00 0.74 H new ATOM 311 N PRO A 40 -15.145 -7.184 14.407 1.00 0.55 N ATOM 312 CA PRO A 40 -15.748 -5.882 14.126 1.00 0.54 C ATOM 313 C PRO A 40 -16.185 -5.191 15.411 1.00 0.56 C ATOM 314 O PRO A 40 -16.767 -5.824 16.297 1.00 0.63 O ATOM 315 CB PRO A 40 -16.968 -6.213 13.257 1.00 0.56 C ATOM 316 CG PRO A 40 -16.805 -7.639 12.847 1.00 0.65 C ATOM 317 CD PRO A 40 -15.983 -8.292 13.917 1.00 0.58 C ATOM 0 HA PRO A 40 -15.050 -5.202 13.637 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.894 -6.070 13.814 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -17.016 -5.559 12.386 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.774 -8.128 12.748 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.311 -7.711 11.878 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.606 -8.708 14.708 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.381 -9.110 13.522 1.00 0.58 H new ATOM 325 N ASP A 41 -15.897 -3.903 15.516 1.00 0.53 N ATOM 326 CA ASP A 41 -16.255 -3.133 16.697 1.00 0.56 C ATOM 327 C ASP A 41 -17.739 -2.793 16.680 1.00 0.58 C ATOM 328 O ASP A 41 -18.325 -2.584 15.619 1.00 0.66 O ATOM 329 CB ASP A 41 -15.422 -1.848 16.766 1.00 0.57 C ATOM 330 CG ASP A 41 -15.172 -1.383 18.189 1.00 0.61 C ATOM 331 OD1 ASP A 41 -16.096 -1.460 19.024 1.00 0.64 O ATOM 332 OD2 ASP A 41 -14.042 -0.937 18.482 1.00 0.68 O ATOM 0 H ASP A 41 -15.414 -3.367 14.795 1.00 0.53 H new ATOM 0 HA ASP A 41 -16.045 -3.737 17.580 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -14.466 -2.014 16.270 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.934 -1.059 16.216 1.00 0.57 H new ATOM 337 N LYS A 42 -18.341 -2.765 17.857 1.00 0.61 N ATOM 338 CA LYS A 42 -19.753 -2.445 17.987 1.00 0.64 C ATOM 339 C LYS A 42 -19.924 -0.955 18.247 1.00 0.64 C ATOM 340 O LYS A 42 -21.042 -0.458 18.404 1.00 0.76 O ATOM 341 CB LYS A 42 -20.379 -3.254 19.126 1.00 0.71 C ATOM 342 CG LYS A 42 -20.260 -4.758 18.946 1.00 0.72 C ATOM 343 CD LYS A 42 -20.797 -5.511 20.153 1.00 0.84 C ATOM 344 CE LYS A 42 -20.698 -7.018 19.962 1.00 0.90 C ATOM 345 NZ LYS A 42 -19.291 -7.505 20.031 1.00 1.08 N ATOM 0 H LYS A 42 -17.871 -2.961 18.741 1.00 0.61 H new ATOM 0 HA LYS A 42 -20.260 -2.704 17.058 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.903 -2.971 20.065 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -21.433 -2.990 19.211 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -20.807 -5.063 18.054 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -19.215 -5.024 18.786 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.239 -5.219 21.043 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.837 -5.233 20.323 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -21.292 -7.519 20.727 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -21.127 -7.289 18.997 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -19.279 -8.543 19.963 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.745 -7.100 19.244 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.866 -7.212 20.934 1.00 1.08 H new ATOM 359 N ARG A 43 -18.802 -0.251 18.305 1.00 0.58 N ATOM 360 CA ARG A 43 -18.801 1.183 18.542 1.00 0.58 C ATOM 361 C ARG A 43 -19.167 1.947 17.279 1.00 0.55 C ATOM 362 O ARG A 43 -18.984 1.455 16.165 1.00 0.55 O ATOM 363 CB ARG A 43 -17.429 1.641 19.031 1.00 0.58 C ATOM 364 CG ARG A 43 -17.139 1.284 20.475 1.00 0.60 C ATOM 365 CD ARG A 43 -15.806 1.859 20.921 1.00 0.60 C ATOM 366 NE ARG A 43 -14.689 1.330 20.139 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.610 2.033 19.812 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.495 3.299 20.184 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.647 1.473 19.088 1.00 0.57 N ATOM 0 H ARG A 43 -17.873 -0.656 18.190 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.548 1.393 19.307 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.662 1.197 18.397 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.355 2.722 18.913 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.935 1.665 21.114 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -17.128 0.200 20.590 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.831 2.945 20.828 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.649 1.633 21.976 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.742 0.361 19.825 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -14.238 3.741 20.725 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.664 3.832 19.929 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.736 0.504 18.783 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.819 2.012 18.837 1.00 0.57 H new ATOM 383 N LYS A 44 -19.682 3.150 17.461 1.00 0.57 N ATOM 384 CA LYS A 44 -20.070 3.994 16.344 1.00 0.56 C ATOM 385 C LYS A 44 -19.036 5.095 16.152 1.00 0.53 C ATOM 386 O LYS A 44 -18.900 5.987 16.990 1.00 0.59 O ATOM 387 CB LYS A 44 -21.459 4.590 16.585 1.00 0.62 C ATOM 388 CG LYS A 44 -22.487 3.550 16.996 1.00 0.70 C ATOM 389 CD LYS A 44 -23.854 4.166 17.226 1.00 0.79 C ATOM 390 CE LYS A 44 -24.712 3.265 18.096 1.00 0.93 C ATOM 391 NZ LYS A 44 -26.146 3.654 18.085 1.00 1.07 N ATOM 0 H LYS A 44 -19.842 3.567 18.378 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.114 3.391 15.437 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -21.392 5.353 17.361 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.797 5.088 15.677 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.559 2.785 16.223 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -22.155 3.052 17.907 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.743 5.140 17.702 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -24.348 4.333 16.269 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.616 2.235 17.751 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.340 3.294 19.120 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.686 3.007 18.694 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -26.245 4.627 18.440 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.513 3.601 17.113 1.00 1.07 H new ATOM 405 N GLY A 45 -18.295 5.015 15.060 1.00 0.52 N ATOM 406 CA GLY A 45 -17.273 6.004 14.794 1.00 0.51 C ATOM 407 C GLY A 45 -17.504 6.742 13.498 1.00 0.48 C ATOM 408 O GLY A 45 -18.263 6.290 12.640 1.00 0.50 O ATOM 0 H GLY A 45 -18.382 4.284 14.354 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -17.243 6.720 15.615 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.299 5.515 14.761 1.00 0.51 H new ATOM 412 N LEU A 46 -16.859 7.885 13.359 1.00 0.46 N ATOM 413 CA LEU A 46 -16.987 8.694 12.165 1.00 0.45 C ATOM 414 C LEU A 46 -15.718 8.603 11.335 1.00 0.41 C ATOM 415 O LEU A 46 -14.628 8.933 11.811 1.00 0.42 O ATOM 416 CB LEU A 46 -17.272 10.153 12.530 1.00 0.47 C ATOM 417 CG LEU A 46 -17.560 11.077 11.345 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.899 10.734 10.710 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.536 12.532 11.785 1.00 0.59 C ATOM 0 H LEU A 46 -16.236 8.275 14.066 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.824 8.314 11.579 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -18.125 10.181 13.208 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.416 10.547 13.078 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.779 10.930 10.599 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -19.085 11.403 9.869 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.881 9.703 10.357 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.692 10.850 11.448 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.743 13.174 10.929 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -18.294 12.693 12.551 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.553 12.773 12.191 1.00 0.59 H new ATOM 431 N VAL A 47 -15.860 8.134 10.109 1.00 0.40 N ATOM 432 CA VAL A 47 -14.730 8.018 9.207 1.00 0.39 C ATOM 433 C VAL A 47 -14.667 9.260 8.336 1.00 0.37 C ATOM 434 O VAL A 47 -15.558 9.499 7.517 1.00 0.40 O ATOM 435 CB VAL A 47 -14.838 6.767 8.311 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.504 6.454 7.650 1.00 0.57 C ATOM 437 CG2 VAL A 47 -15.329 5.574 9.113 1.00 0.43 C ATOM 0 H VAL A 47 -16.749 7.827 9.715 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.824 7.920 9.805 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.564 6.977 7.526 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.607 5.568 7.024 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.196 7.299 7.035 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.752 6.270 8.417 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -15.398 4.702 8.463 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -14.630 5.368 9.923 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -16.312 5.795 9.529 1.00 0.43 H new ATOM 447 N TYR A 48 -13.638 10.067 8.531 1.00 0.37 N ATOM 448 CA TYR A 48 -13.498 11.295 7.769 1.00 0.37 C ATOM 449 C TYR A 48 -12.088 11.461 7.220 1.00 0.34 C ATOM 450 O TYR A 48 -11.117 10.969 7.796 1.00 0.36 O ATOM 451 CB TYR A 48 -13.873 12.505 8.633 1.00 0.43 C ATOM 452 CG TYR A 48 -12.930 12.761 9.788 1.00 0.44 C ATOM 453 CD1 TYR A 48 -13.131 12.153 11.023 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.841 13.613 9.647 1.00 0.46 C ATOM 455 CE1 TYR A 48 -12.273 12.392 12.077 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.982 13.855 10.700 1.00 0.54 C ATOM 457 CZ TYR A 48 -11.202 13.242 11.912 1.00 0.64 C ATOM 458 OH TYR A 48 -10.347 13.480 12.964 1.00 0.78 O ATOM 0 H TYR A 48 -12.892 9.896 9.206 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.180 11.234 6.921 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.904 13.392 8.001 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.879 12.358 9.026 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -13.969 11.486 11.159 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.664 14.094 8.697 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -12.441 11.913 13.030 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -10.142 14.522 10.573 1.00 0.54 H new ATOM 0 HH TYR A 48 -9.644 14.101 12.680 1.00 0.78 H new ATOM 468 N ILE A 49 -11.996 12.150 6.098 1.00 0.33 N ATOM 469 CA ILE A 49 -10.720 12.418 5.460 1.00 0.32 C ATOM 470 C ILE A 49 -10.369 13.888 5.646 1.00 0.30 C ATOM 471 O ILE A 49 -11.129 14.770 5.241 1.00 0.35 O ATOM 472 CB ILE A 49 -10.754 12.089 3.952 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.263 10.659 3.730 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.373 12.267 3.338 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.452 10.300 2.271 1.00 0.69 C ATOM 0 H ILE A 49 -12.800 12.538 5.605 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.968 11.781 5.926 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.439 12.779 3.461 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.559 9.958 4.179 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.212 10.536 4.251 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.414 12.031 2.275 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.047 13.299 3.468 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.667 11.599 3.831 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.813 9.275 2.192 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.179 10.976 1.821 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.500 10.390 1.748 1.00 0.69 H new ATOM 487 N GLN A 50 -9.235 14.152 6.273 1.00 0.30 N ATOM 488 CA GLN A 50 -8.799 15.519 6.520 1.00 0.33 C ATOM 489 C GLN A 50 -7.519 15.826 5.747 1.00 0.30 C ATOM 490 O GLN A 50 -6.767 14.920 5.393 1.00 0.36 O ATOM 491 CB GLN A 50 -8.577 15.737 8.020 1.00 0.42 C ATOM 492 CG GLN A 50 -8.738 17.185 8.456 1.00 0.51 C ATOM 493 CD GLN A 50 -8.627 17.357 9.957 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.893 16.637 10.630 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.355 18.319 10.494 1.00 0.86 N ATOM 0 H GLN A 50 -8.597 13.437 6.622 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.579 16.198 6.174 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.281 15.118 8.576 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.576 15.396 8.284 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.978 17.794 7.967 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.707 17.556 8.122 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.953 18.897 9.903 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.319 18.484 11.500 1.00 0.86 H new ATOM 504 N GLN A 51 -7.283 17.103 5.479 1.00 0.37 N ATOM 505 CA GLN A 51 -6.095 17.529 4.753 1.00 0.37 C ATOM 506 C GLN A 51 -5.517 18.795 5.373 1.00 0.39 C ATOM 507 O GLN A 51 -6.185 19.828 5.430 1.00 0.51 O ATOM 508 CB GLN A 51 -6.428 17.773 3.281 1.00 0.44 C ATOM 509 CG GLN A 51 -5.205 18.002 2.407 1.00 0.52 C ATOM 510 CD GLN A 51 -5.568 18.399 0.989 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.632 19.581 0.657 1.00 0.91 O ATOM 512 NE2 GLN A 51 -5.809 17.412 0.145 1.00 0.93 N ATOM 0 H GLN A 51 -7.902 17.865 5.755 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.351 16.735 4.818 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.983 16.917 2.897 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.085 18.639 3.205 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.586 18.781 2.851 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.604 17.093 2.383 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -5.745 16.444 0.460 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -6.059 17.618 -0.822 1.00 0.93 H new ATOM 521 N THR A 52 -4.284 18.709 5.835 1.00 0.38 N ATOM 522 CA THR A 52 -3.621 19.841 6.457 1.00 0.45 C ATOM 523 C THR A 52 -2.804 20.635 5.437 1.00 0.36 C ATOM 524 O THR A 52 -2.761 20.286 4.257 1.00 0.33 O ATOM 525 CB THR A 52 -2.710 19.356 7.593 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.429 17.959 7.416 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.370 19.580 8.943 1.00 0.80 C ATOM 0 H THR A 52 -3.718 17.862 5.791 1.00 0.38 H new ATOM 0 HA THR A 52 -4.388 20.500 6.863 1.00 0.45 H new ATOM 0 HB THR A 52 -1.781 19.925 7.565 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.941 17.827 6.576 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.708 19.229 9.734 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.567 20.643 9.080 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.309 19.028 8.985 1.00 0.80 H new ATOM 535 N ASP A 53 -2.152 21.697 5.902 1.00 0.40 N ATOM 536 CA ASP A 53 -1.337 22.553 5.035 1.00 0.41 C ATOM 537 C ASP A 53 -0.098 21.825 4.530 1.00 0.39 C ATOM 538 O ASP A 53 0.551 22.266 3.579 1.00 0.52 O ATOM 539 CB ASP A 53 -0.910 23.810 5.786 1.00 0.52 C ATOM 540 CG ASP A 53 0.177 23.531 6.805 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.065 22.729 7.731 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.278 24.111 6.685 1.00 0.74 O ATOM 0 H ASP A 53 -2.171 21.989 6.879 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.951 22.825 4.176 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.554 24.553 5.073 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.775 24.241 6.290 1.00 0.52 H new ATOM 547 N ASP A 54 0.222 20.711 5.170 1.00 0.42 N ATOM 548 CA ASP A 54 1.376 19.902 4.793 1.00 0.55 C ATOM 549 C ASP A 54 1.086 19.118 3.517 1.00 0.45 C ATOM 550 O ASP A 54 1.965 18.440 2.980 1.00 0.52 O ATOM 551 CB ASP A 54 1.767 18.943 5.927 1.00 0.73 C ATOM 552 CG ASP A 54 0.631 18.032 6.375 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.451 18.047 5.747 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.813 17.305 7.377 1.00 1.10 O ATOM 0 H ASP A 54 -0.306 20.342 5.961 1.00 0.42 H new ATOM 0 HA ASP A 54 2.213 20.575 4.608 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.606 18.329 5.599 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.113 19.525 6.781 1.00 0.73 H new ATOM 559 N SER A 55 -0.160 19.221 3.053 1.00 0.36 N ATOM 560 CA SER A 55 -0.611 18.548 1.840 1.00 0.40 C ATOM 561 C SER A 55 -0.597 17.034 2.025 1.00 0.37 C ATOM 562 O SER A 55 -0.474 16.271 1.064 1.00 0.52 O ATOM 563 CB SER A 55 0.254 18.969 0.650 1.00 0.57 C ATOM 564 OG SER A 55 0.233 20.381 0.489 1.00 0.66 O ATOM 0 H SER A 55 -0.884 19.775 3.510 1.00 0.36 H new ATOM 0 HA SER A 55 -1.639 18.846 1.636 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.279 18.630 0.801 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.110 18.489 -0.258 1.00 0.57 H new ATOM 0 HG SER A 55 0.793 20.631 -0.275 1.00 0.66 H new ATOM 570 N LEU A 56 -0.721 16.612 3.276 1.00 0.28 N ATOM 571 CA LEU A 56 -0.742 15.202 3.609 1.00 0.31 C ATOM 572 C LEU A 56 -2.158 14.771 3.966 1.00 0.27 C ATOM 573 O LEU A 56 -2.788 15.341 4.864 1.00 0.30 O ATOM 574 CB LEU A 56 0.210 14.906 4.771 1.00 0.38 C ATOM 575 CG LEU A 56 1.696 15.153 4.484 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.531 14.896 5.730 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.172 14.268 3.346 1.00 0.48 C ATOM 0 H LEU A 56 -0.809 17.234 4.079 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.408 14.636 2.739 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.084 15.517 5.624 1.00 0.38 H new ATOM 0 HB3 LEU A 56 0.083 13.864 5.066 1.00 0.38 H new ATOM 0 HG LEU A 56 1.818 16.196 4.191 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.583 15.076 5.507 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.209 15.565 6.528 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.400 13.862 6.049 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.229 14.457 3.156 1.00 0.48 H new ATOM 0 HD22 LEU A 56 2.033 13.221 3.617 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.596 14.490 2.447 1.00 0.48 H new ATOM 589 N ILE A 57 -2.659 13.781 3.243 1.00 0.27 N ATOM 590 CA ILE A 57 -4.003 13.262 3.473 1.00 0.26 C ATOM 591 C ILE A 57 -4.060 12.510 4.800 1.00 0.24 C ATOM 592 O ILE A 57 -3.225 11.653 5.071 1.00 0.29 O ATOM 593 CB ILE A 57 -4.446 12.318 2.330 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.236 12.984 0.963 1.00 0.45 C ATOM 595 CG2 ILE A 57 -5.904 11.916 2.508 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.049 14.246 0.768 1.00 0.57 C ATOM 0 H ILE A 57 -2.154 13.317 2.488 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.684 14.113 3.504 1.00 0.26 H new ATOM 0 HB ILE A 57 -3.830 11.419 2.370 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.179 13.222 0.843 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.493 12.272 0.179 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.200 11.252 1.696 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.026 11.401 3.461 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.531 12.807 2.495 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -4.848 14.659 -0.220 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.110 14.012 0.854 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.775 14.976 1.529 1.00 0.57 H new ATOM 608 N HIS A 58 -5.042 12.834 5.628 1.00 0.25 N ATOM 609 CA HIS A 58 -5.175 12.185 6.920 1.00 0.27 C ATOM 610 C HIS A 58 -6.446 11.357 7.011 1.00 0.27 C ATOM 611 O HIS A 58 -7.557 11.884 6.919 1.00 0.33 O ATOM 612 CB HIS A 58 -5.159 13.219 8.046 1.00 0.32 C ATOM 613 CG HIS A 58 -3.787 13.599 8.503 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.187 13.051 9.616 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.898 14.482 7.992 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.991 13.585 9.775 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.791 14.453 8.803 1.00 0.59 N ATOM 0 H HIS A 58 -5.753 13.538 5.429 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.323 11.514 7.028 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.680 14.115 7.710 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.718 12.825 8.895 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.602 12.343 10.222 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.034 15.094 7.112 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.295 13.351 10.567 1.00 0.61 H new ATOM 626 N PHE A 59 -6.265 10.057 7.175 1.00 0.27 N ATOM 627 CA PHE A 59 -7.375 9.129 7.324 1.00 0.28 C ATOM 628 C PHE A 59 -7.527 8.830 8.805 1.00 0.31 C ATOM 629 O PHE A 59 -6.840 7.960 9.347 1.00 0.36 O ATOM 630 CB PHE A 59 -7.107 7.840 6.539 1.00 0.31 C ATOM 631 CG PHE A 59 -8.348 7.078 6.169 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.166 7.517 5.140 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.692 5.917 6.844 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.304 6.814 4.790 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.829 5.208 6.498 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.635 5.659 5.470 1.00 0.94 C ATOM 0 H PHE A 59 -5.346 9.615 7.209 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.292 9.567 6.929 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.561 8.088 5.629 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.460 7.194 7.132 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -8.911 8.420 4.605 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.066 5.562 7.649 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -10.933 7.168 3.986 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.086 4.304 7.030 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.523 5.108 5.199 1.00 0.94 H new ATOM 646 N CYS A 60 -8.399 9.572 9.468 1.00 0.33 N ATOM 647 CA CYS A 60 -8.588 9.413 10.898 1.00 0.38 C ATOM 648 C CYS A 60 -9.968 8.864 11.255 1.00 0.38 C ATOM 649 O CYS A 60 -10.981 9.244 10.660 1.00 0.40 O ATOM 650 CB CYS A 60 -8.381 10.760 11.594 1.00 0.43 C ATOM 651 SG CYS A 60 -7.292 11.901 10.705 1.00 0.46 S ATOM 0 H CYS A 60 -8.985 10.288 9.039 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.852 8.686 11.241 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.351 11.237 11.732 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.968 10.583 12.587 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.083 11.800 11.172 1.00 0.46 H new ATOM 657 N TRP A 61 -9.989 7.971 12.235 1.00 0.39 N ATOM 658 CA TRP A 61 -11.224 7.378 12.728 1.00 0.39 C ATOM 659 C TRP A 61 -11.509 7.969 14.097 1.00 0.42 C ATOM 660 O TRP A 61 -10.699 7.840 15.021 1.00 0.45 O ATOM 661 CB TRP A 61 -11.110 5.854 12.815 1.00 0.40 C ATOM 662 CG TRP A 61 -12.415 5.167 13.114 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.341 4.740 12.202 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.937 4.821 14.406 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.405 4.156 12.846 1.00 0.45 N ATOM 666 CE2 TRP A 61 -14.180 4.192 14.199 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.476 4.985 15.716 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.961 3.724 15.254 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -13.254 4.521 16.761 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.484 3.898 16.524 1.00 0.52 C ATOM 0 H TRP A 61 -9.150 7.637 12.710 1.00 0.39 H new ATOM 0 HA TRP A 61 -12.040 7.599 12.040 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.717 5.473 11.872 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.388 5.596 13.589 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.249 4.846 11.131 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.228 3.760 12.392 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.528 5.466 15.908 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.910 3.241 15.075 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.906 4.642 17.776 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -15.069 3.547 17.361 1.00 0.52 H new ATOM 681 N LYS A 62 -12.641 8.631 14.228 1.00 0.46 N ATOM 682 CA LYS A 62 -12.999 9.278 15.480 1.00 0.50 C ATOM 683 C LYS A 62 -14.187 8.609 16.158 1.00 0.51 C ATOM 684 O LYS A 62 -15.224 8.374 15.536 1.00 0.51 O ATOM 685 CB LYS A 62 -13.313 10.748 15.205 1.00 0.57 C ATOM 686 CG LYS A 62 -13.698 11.553 16.434 1.00 0.63 C ATOM 687 CD LYS A 62 -14.155 12.949 16.042 1.00 0.75 C ATOM 688 CE LYS A 62 -14.311 13.854 17.250 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.705 15.229 16.855 1.00 1.04 N ATOM 0 H LYS A 62 -13.331 8.737 13.484 1.00 0.46 H new ATOM 0 HA LYS A 62 -12.153 9.189 16.162 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.442 11.211 14.742 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -14.126 10.803 14.481 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.495 11.042 16.974 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.847 11.621 17.112 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -13.434 13.386 15.352 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -15.105 12.884 15.512 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -15.062 13.439 17.922 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.372 13.889 17.803 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.803 15.820 17.705 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.976 15.634 16.234 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.613 15.198 16.349 1.00 1.04 H new ATOM 703 N ASP A 63 -14.020 8.311 17.441 1.00 0.53 N ATOM 704 CA ASP A 63 -15.071 7.702 18.245 1.00 0.55 C ATOM 705 C ASP A 63 -16.149 8.754 18.511 1.00 0.57 C ATOM 706 O ASP A 63 -15.849 9.835 19.013 1.00 0.62 O ATOM 707 CB ASP A 63 -14.474 7.174 19.556 1.00 0.61 C ATOM 708 CG ASP A 63 -15.494 6.505 20.451 1.00 0.65 C ATOM 709 OD1 ASP A 63 -16.237 7.223 21.146 1.00 0.92 O ATOM 710 OD2 ASP A 63 -15.536 5.259 20.492 1.00 1.09 O ATOM 0 H ASP A 63 -13.154 8.484 17.952 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.520 6.860 17.718 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.681 6.463 19.326 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -14.013 8.001 20.096 1.00 0.61 H new ATOM 715 N ARG A 64 -17.394 8.445 18.174 1.00 0.58 N ATOM 716 CA ARG A 64 -18.489 9.404 18.331 1.00 0.61 C ATOM 717 C ARG A 64 -18.979 9.545 19.774 1.00 0.66 C ATOM 718 O ARG A 64 -19.794 10.422 20.067 1.00 0.75 O ATOM 719 CB ARG A 64 -19.661 9.020 17.425 1.00 0.63 C ATOM 720 CG ARG A 64 -19.396 9.269 15.949 1.00 0.63 C ATOM 721 CD ARG A 64 -20.488 8.671 15.079 1.00 0.65 C ATOM 722 NE ARG A 64 -21.783 9.314 15.293 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.957 8.749 15.001 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.003 7.526 14.483 1.00 0.99 N ATOM 725 NH2 ARG A 64 -24.088 9.406 15.226 1.00 1.14 N ATOM 0 H ARG A 64 -17.674 7.542 17.791 1.00 0.58 H new ATOM 0 HA ARG A 64 -18.086 10.374 18.041 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.892 7.965 17.571 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.543 9.584 17.727 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -19.330 10.341 15.766 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.433 8.839 15.673 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.207 8.766 14.030 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.575 7.605 15.290 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.790 10.253 15.690 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.139 7.014 14.307 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.903 7.099 14.262 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -24.062 10.345 15.623 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.983 8.972 15.002 1.00 1.14 H new ATOM 739 N THR A 65 -18.492 8.709 20.673 1.00 0.68 N ATOM 740 CA THR A 65 -18.922 8.771 22.063 1.00 0.74 C ATOM 741 C THR A 65 -17.936 9.564 22.921 1.00 0.75 C ATOM 742 O THR A 65 -18.338 10.378 23.755 1.00 0.83 O ATOM 743 CB THR A 65 -19.081 7.357 22.648 1.00 0.76 C ATOM 744 OG1 THR A 65 -19.696 6.503 21.674 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.924 7.379 23.915 1.00 0.93 C ATOM 0 H THR A 65 -17.804 7.984 20.471 1.00 0.68 H new ATOM 0 HA THR A 65 -19.885 9.281 22.078 1.00 0.74 H new ATOM 0 HB THR A 65 -18.092 6.977 22.903 1.00 0.76 H new ATOM 0 HG1 THR A 65 -19.796 5.602 22.046 1.00 0.88 H new ATOM 0 HG21 THR A 65 -20.019 6.366 24.306 1.00 0.93 H new ATOM 0 HG22 THR A 65 -19.443 8.012 24.661 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.914 7.774 23.687 1.00 0.93 H new ATOM 753 N SER A 66 -16.654 9.317 22.721 1.00 0.71 N ATOM 754 CA SER A 66 -15.618 10.000 23.483 1.00 0.75 C ATOM 755 C SER A 66 -15.068 11.201 22.721 1.00 0.73 C ATOM 756 O SER A 66 -14.628 12.182 23.321 1.00 0.79 O ATOM 757 CB SER A 66 -14.485 9.025 23.809 1.00 0.75 C ATOM 758 OG SER A 66 -14.133 8.259 22.668 1.00 0.75 O ATOM 0 H SER A 66 -16.302 8.648 22.036 1.00 0.71 H new ATOM 0 HA SER A 66 -16.064 10.364 24.409 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.615 9.578 24.164 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.792 8.361 24.617 1.00 0.75 H new ATOM 0 HG SER A 66 -13.406 7.644 22.899 1.00 0.75 H new ATOM 764 N GLY A 67 -15.094 11.118 21.398 1.00 0.67 N ATOM 765 CA GLY A 67 -14.581 12.195 20.580 1.00 0.67 C ATOM 766 C GLY A 67 -13.096 12.050 20.327 1.00 0.65 C ATOM 767 O GLY A 67 -12.473 12.913 19.708 1.00 0.70 O ATOM 0 H GLY A 67 -15.462 10.322 20.877 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -15.112 12.213 19.628 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.775 13.149 21.071 1.00 0.67 H new ATOM 771 N ASN A 68 -12.528 10.950 20.805 1.00 0.63 N ATOM 772 CA ASN A 68 -11.104 10.684 20.645 1.00 0.63 C ATOM 773 C ASN A 68 -10.815 10.084 19.278 1.00 0.58 C ATOM 774 O ASN A 68 -11.601 9.285 18.764 1.00 0.58 O ATOM 775 CB ASN A 68 -10.604 9.733 21.736 1.00 0.68 C ATOM 776 CG ASN A 68 -10.374 10.431 23.065 1.00 0.85 C ATOM 777 OD1 ASN A 68 -10.148 11.636 23.113 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.419 9.675 24.153 1.00 1.01 N ATOM 0 H ASN A 68 -13.036 10.223 21.310 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.578 11.635 20.733 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -11.329 8.931 21.873 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.674 9.269 21.409 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.263 10.092 25.071 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.610 8.676 24.073 1.00 1.01 H new ATOM 785 N VAL A 69 -9.692 10.475 18.694 1.00 0.56 N ATOM 786 CA VAL A 69 -9.291 9.972 17.391 1.00 0.53 C ATOM 787 C VAL A 69 -8.277 8.844 17.563 1.00 0.51 C ATOM 788 O VAL A 69 -7.143 9.073 17.990 1.00 0.59 O ATOM 789 CB VAL A 69 -8.681 11.091 16.519 1.00 0.57 C ATOM 790 CG1 VAL A 69 -8.325 10.567 15.140 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.634 12.278 16.419 1.00 0.63 C ATOM 0 H VAL A 69 -9.040 11.143 19.106 1.00 0.56 H new ATOM 0 HA VAL A 69 -10.180 9.595 16.886 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.763 11.432 16.998 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.897 11.373 14.544 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.598 9.760 15.234 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -9.223 10.191 14.650 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -9.184 13.055 15.800 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.573 11.954 15.969 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.827 12.675 17.416 1.00 0.63 H new ATOM 801 N GLU A 70 -8.695 7.631 17.246 1.00 0.49 N ATOM 802 CA GLU A 70 -7.831 6.464 17.380 1.00 0.51 C ATOM 803 C GLU A 70 -6.903 6.311 16.188 1.00 0.50 C ATOM 804 O GLU A 70 -5.682 6.412 16.314 1.00 0.62 O ATOM 805 CB GLU A 70 -8.677 5.200 17.528 1.00 0.55 C ATOM 806 CG GLU A 70 -9.018 4.863 18.964 1.00 0.81 C ATOM 807 CD GLU A 70 -10.162 3.884 19.075 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.189 2.887 18.319 1.00 0.69 O ATOM 809 OE2 GLU A 70 -11.040 4.101 19.933 1.00 0.71 O ATOM 0 H GLU A 70 -9.629 7.425 16.893 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.220 6.610 18.271 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.601 5.323 16.963 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -8.142 4.361 17.084 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.138 4.445 19.454 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -9.275 5.778 19.497 1.00 0.81 H new ATOM 816 N ASP A 71 -7.492 6.069 15.034 1.00 0.47 N ATOM 817 CA ASP A 71 -6.729 5.870 13.815 1.00 0.46 C ATOM 818 C ASP A 71 -6.431 7.194 13.140 1.00 0.43 C ATOM 819 O ASP A 71 -7.269 8.091 13.128 1.00 0.46 O ATOM 820 CB ASP A 71 -7.495 4.963 12.851 1.00 0.51 C ATOM 821 CG ASP A 71 -7.792 3.602 13.449 1.00 0.57 C ATOM 822 OD1 ASP A 71 -6.898 2.729 13.420 1.00 0.73 O ATOM 823 OD2 ASP A 71 -8.912 3.406 13.959 1.00 0.61 O ATOM 0 H ASP A 71 -8.503 6.005 14.913 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.785 5.395 14.083 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.431 5.445 12.570 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.914 4.836 11.937 1.00 0.51 H new ATOM 828 N ASP A 72 -5.229 7.306 12.602 1.00 0.43 N ATOM 829 CA ASP A 72 -4.791 8.505 11.895 1.00 0.42 C ATOM 830 C ASP A 72 -3.584 8.160 11.036 1.00 0.42 C ATOM 831 O ASP A 72 -2.455 8.080 11.533 1.00 0.52 O ATOM 832 CB ASP A 72 -4.440 9.638 12.869 1.00 0.48 C ATOM 833 CG ASP A 72 -3.890 10.866 12.162 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.441 11.254 11.112 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.904 11.454 12.659 1.00 1.05 O ATOM 0 H ASP A 72 -4.525 6.569 12.641 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.609 8.857 11.267 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.330 9.916 13.433 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.705 9.278 13.590 1.00 0.48 H new ATOM 840 N LEU A 73 -3.831 7.906 9.761 1.00 0.36 N ATOM 841 CA LEU A 73 -2.769 7.550 8.835 1.00 0.38 C ATOM 842 C LEU A 73 -2.636 8.583 7.734 1.00 0.34 C ATOM 843 O LEU A 73 -3.590 9.299 7.418 1.00 0.42 O ATOM 844 CB LEU A 73 -3.046 6.180 8.213 1.00 0.44 C ATOM 845 CG LEU A 73 -2.917 4.988 9.160 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.486 3.735 8.511 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.461 4.775 9.552 1.00 0.92 C ATOM 0 H LEU A 73 -4.761 7.940 9.343 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.836 7.515 9.397 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.055 6.186 7.800 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.360 6.034 7.378 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.488 5.198 10.065 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.388 2.893 9.197 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.539 3.892 8.278 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.939 3.521 7.593 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.387 3.922 10.227 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.868 4.583 8.658 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.085 5.667 10.052 1.00 0.92 H new ATOM 859 N ILE A 74 -1.451 8.653 7.151 1.00 0.29 N ATOM 860 CA ILE A 74 -1.188 9.584 6.072 1.00 0.28 C ATOM 861 C ILE A 74 -1.348 8.869 4.740 1.00 0.30 C ATOM 862 O ILE A 74 -0.479 8.108 4.327 1.00 0.51 O ATOM 863 CB ILE A 74 0.227 10.195 6.168 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.539 10.605 7.613 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.337 11.393 5.240 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.979 11.020 7.832 1.00 0.59 C ATOM 0 H ILE A 74 -0.654 8.072 7.410 1.00 0.29 H new ATOM 0 HA ILE A 74 -1.905 10.401 6.151 1.00 0.28 H new ATOM 0 HB ILE A 74 0.956 9.444 5.862 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.114 11.430 7.896 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.306 9.772 8.276 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.338 11.819 5.313 1.00 0.33 H new ATOM 0 HG22 ILE A 74 0.151 11.076 4.214 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.399 12.144 5.527 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.123 11.296 8.877 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.639 10.190 7.581 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.212 11.874 7.196 1.00 0.59 H new ATOM 878 N ILE A 75 -2.463 9.117 4.079 1.00 0.24 N ATOM 879 CA ILE A 75 -2.760 8.480 2.806 1.00 0.23 C ATOM 880 C ILE A 75 -1.994 9.135 1.662 1.00 0.24 C ATOM 881 O ILE A 75 -1.862 10.359 1.608 1.00 0.26 O ATOM 882 CB ILE A 75 -4.273 8.521 2.507 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.056 7.836 3.630 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.573 7.871 1.166 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.738 6.364 3.796 1.00 0.31 C ATOM 0 H ILE A 75 -3.185 9.760 4.404 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.442 7.441 2.886 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.587 9.563 2.455 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.849 8.350 4.569 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.123 7.947 3.435 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.645 7.910 0.974 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.043 8.404 0.377 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.246 6.831 1.184 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.333 5.953 4.611 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.972 5.835 2.872 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.679 6.244 4.024 1.00 0.31 H new ATOM 897 N PHE A 76 -1.479 8.308 0.760 1.00 0.27 N ATOM 898 CA PHE A 76 -0.730 8.785 -0.392 1.00 0.31 C ATOM 899 C PHE A 76 -1.313 8.198 -1.677 1.00 0.32 C ATOM 900 O PHE A 76 -1.781 7.056 -1.681 1.00 0.35 O ATOM 901 CB PHE A 76 0.745 8.401 -0.261 1.00 0.34 C ATOM 902 CG PHE A 76 1.439 9.073 0.889 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.879 10.380 0.778 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.652 8.397 2.078 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.518 11.001 1.833 1.00 0.58 C ATOM 906 CE2 PHE A 76 2.291 9.010 3.137 1.00 0.50 C ATOM 907 CZ PHE A 76 2.725 10.315 3.014 1.00 0.58 C ATOM 0 H PHE A 76 -1.569 7.293 0.807 1.00 0.27 H new ATOM 0 HA PHE A 76 -0.806 9.872 -0.434 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.822 7.320 -0.140 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.262 8.656 -1.186 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.721 10.920 -0.144 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.314 7.376 2.179 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.856 12.022 1.735 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.451 8.471 4.059 1.00 0.50 H new ATOM 0 HZ PHE A 76 3.226 10.799 3.840 1.00 0.58 H new ATOM 917 N PRO A 77 -1.303 8.970 -2.777 1.00 0.36 N ATOM 918 CA PRO A 77 -1.837 8.519 -4.072 1.00 0.38 C ATOM 919 C PRO A 77 -1.049 7.358 -4.677 1.00 0.33 C ATOM 920 O PRO A 77 0.099 7.104 -4.297 1.00 0.33 O ATOM 921 CB PRO A 77 -1.724 9.759 -4.968 1.00 0.45 C ATOM 922 CG PRO A 77 -1.488 10.911 -4.047 1.00 0.55 C ATOM 923 CD PRO A 77 -0.790 10.349 -2.848 1.00 0.44 C ATOM 0 HA PRO A 77 -2.853 8.140 -3.965 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.905 9.653 -5.679 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.634 9.904 -5.550 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -0.880 11.676 -4.529 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.429 11.383 -3.764 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.293 10.370 -2.966 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.024 10.913 -1.945 1.00 0.44 H new ATOM 931 N ASP A 78 -1.694 6.657 -5.622 1.00 0.40 N ATOM 932 CA ASP A 78 -1.117 5.501 -6.337 1.00 0.46 C ATOM 933 C ASP A 78 -0.594 4.442 -5.372 1.00 0.45 C ATOM 934 O ASP A 78 0.205 3.585 -5.751 1.00 0.60 O ATOM 935 CB ASP A 78 0.009 5.900 -7.333 1.00 0.53 C ATOM 936 CG ASP A 78 0.243 7.394 -7.464 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.665 8.105 -7.948 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.353 7.860 -7.105 1.00 1.36 O ATOM 0 H ASP A 78 -2.645 6.878 -5.917 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.939 5.081 -6.917 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.939 5.427 -7.017 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.235 5.497 -8.316 1.00 0.53 H new ATOM 943 N ASP A 79 -1.055 4.480 -4.132 1.00 0.53 N ATOM 944 CA ASP A 79 -0.597 3.527 -3.133 1.00 0.61 C ATOM 945 C ASP A 79 -1.733 3.077 -2.223 1.00 0.59 C ATOM 946 O ASP A 79 -1.510 2.335 -1.264 1.00 1.11 O ATOM 947 CB ASP A 79 0.520 4.154 -2.294 1.00 0.80 C ATOM 948 CG ASP A 79 1.716 3.238 -2.117 1.00 1.12 C ATOM 949 OD1 ASP A 79 2.195 2.665 -3.128 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.205 3.114 -0.978 1.00 1.74 O ATOM 0 H ASP A 79 -1.741 5.155 -3.795 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.219 2.649 -3.656 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.846 5.080 -2.768 1.00 0.80 H new ATOM 0 HB3 ASP A 79 0.125 4.419 -1.313 1.00 0.80 H new ATOM 955 N CYS A 80 -2.952 3.494 -2.530 1.00 0.50 N ATOM 956 CA CYS A 80 -4.095 3.133 -1.703 1.00 0.46 C ATOM 957 C CYS A 80 -5.262 2.628 -2.547 1.00 0.43 C ATOM 958 O CYS A 80 -5.331 2.895 -3.749 1.00 0.60 O ATOM 959 CB CYS A 80 -4.527 4.338 -0.869 1.00 0.63 C ATOM 960 SG CYS A 80 -3.194 5.051 0.120 1.00 0.90 S ATOM 0 H CYS A 80 -3.175 4.077 -3.337 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.793 2.321 -1.041 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.925 5.105 -1.534 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.339 4.038 -0.206 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.465 5.825 -0.628 1.00 0.90 H new ATOM 966 N GLU A 81 -6.172 1.895 -1.908 1.00 0.34 N ATOM 967 CA GLU A 81 -7.341 1.343 -2.586 1.00 0.39 C ATOM 968 C GLU A 81 -8.427 0.968 -1.573 1.00 0.36 C ATOM 969 O GLU A 81 -8.160 0.268 -0.595 1.00 0.45 O ATOM 970 CB GLU A 81 -6.941 0.106 -3.395 1.00 0.49 C ATOM 971 CG GLU A 81 -8.052 -0.450 -4.271 1.00 0.74 C ATOM 972 CD GLU A 81 -7.637 -1.721 -4.983 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.715 -2.807 -4.370 1.00 1.15 O ATOM 974 OE2 GLU A 81 -7.232 -1.647 -6.160 1.00 1.32 O ATOM 0 H GLU A 81 -6.120 1.669 -0.915 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.739 2.103 -3.259 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.088 0.358 -4.025 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.611 -0.673 -2.708 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.931 -0.649 -3.658 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.341 0.299 -5.008 1.00 0.74 H new ATOM 981 N PHE A 82 -9.647 1.436 -1.813 1.00 0.34 N ATOM 982 CA PHE A 82 -10.775 1.155 -0.930 1.00 0.32 C ATOM 983 C PHE A 82 -11.882 0.462 -1.722 1.00 0.33 C ATOM 984 O PHE A 82 -12.216 0.891 -2.827 1.00 0.42 O ATOM 985 CB PHE A 82 -11.290 2.468 -0.323 1.00 0.35 C ATOM 986 CG PHE A 82 -12.342 2.297 0.740 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.091 1.533 1.869 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.574 2.917 0.614 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.051 1.389 2.851 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.540 2.775 1.593 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.276 2.011 2.712 1.00 0.43 C ATOM 0 H PHE A 82 -9.882 2.016 -2.618 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.456 0.496 -0.122 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.447 3.011 0.103 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.697 3.087 -1.122 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.134 1.045 1.982 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.783 3.518 -0.259 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.844 0.791 3.726 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.498 3.260 1.483 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.028 1.900 3.479 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.444 -0.609 -1.169 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.498 -1.350 -1.859 1.00 0.38 C ATOM 1003 C LYS A 83 -14.355 -2.152 -0.884 1.00 0.37 C ATOM 1004 O LYS A 83 -14.105 -2.149 0.321 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.882 -2.292 -2.891 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.865 -3.252 -2.300 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.949 -3.814 -3.367 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.853 -4.665 -2.758 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.875 -5.122 -3.777 1.00 1.44 N ATOM 0 H LYS A 83 -12.191 -0.981 -0.254 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.141 -0.624 -2.356 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.677 -2.865 -3.369 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.402 -1.701 -3.671 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.272 -2.736 -1.544 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.383 -4.068 -1.796 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.529 -4.412 -4.069 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.505 -2.997 -3.935 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.335 -4.093 -1.989 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.297 -5.531 -2.267 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.142 -5.701 -3.320 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.365 -5.690 -4.498 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.432 -4.296 -4.228 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.357 -2.842 -1.421 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.262 -3.656 -0.620 1.00 0.43 C ATOM 1025 C ARG A 84 -15.981 -5.139 -0.844 1.00 0.44 C ATOM 1026 O ARG A 84 -15.568 -5.538 -1.932 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.720 -3.342 -0.988 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.742 -3.964 -0.044 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.163 -3.767 -0.542 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.445 -4.582 -1.722 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.667 -4.948 -2.105 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.729 -4.570 -1.404 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.821 -5.694 -3.193 1.00 0.96 N ATOM 0 H ARG A 84 -15.563 -2.852 -2.420 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.100 -3.421 0.432 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.858 -2.261 -0.996 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.913 -3.695 -2.001 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.538 -5.030 0.061 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.639 -3.520 0.946 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.865 -4.023 0.252 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.321 -2.715 -0.781 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.655 -4.890 -2.289 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.611 -3.997 -0.568 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.663 -4.853 -1.701 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.005 -5.985 -3.732 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.755 -5.976 -3.490 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.190 -5.947 0.188 1.00 0.45 N ATOM 1048 CA VAL A 85 -15.971 -7.384 0.088 1.00 0.49 C ATOM 1049 C VAL A 85 -17.289 -8.096 -0.220 1.00 0.55 C ATOM 1050 O VAL A 85 -18.157 -8.199 0.645 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.368 -7.965 1.386 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -14.838 -9.375 1.151 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.267 -7.065 1.924 1.00 0.50 C ATOM 0 H VAL A 85 -16.511 -5.632 1.103 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.260 -7.549 -0.721 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.161 -8.015 2.132 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.418 -9.765 2.078 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -15.653 -10.020 0.822 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.064 -9.350 0.384 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -13.859 -7.496 2.838 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.475 -6.974 1.180 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.677 -6.078 2.140 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.457 -8.606 -1.450 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.685 -9.301 -1.856 1.00 0.69 C ATOM 1065 C PRO A 86 -18.805 -10.704 -1.258 1.00 0.68 C ATOM 1066 O PRO A 86 -19.803 -11.391 -1.465 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.553 -9.375 -3.375 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.090 -9.350 -3.645 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.467 -8.537 -2.543 1.00 0.64 C ATOM 0 HA PRO A 86 -19.578 -8.781 -1.510 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.009 -10.285 -3.765 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.056 -8.535 -3.855 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.681 -10.360 -3.661 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.883 -8.907 -4.619 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.505 -8.948 -2.238 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.289 -7.508 -2.857 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.788 -11.120 -0.514 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.784 -12.438 0.111 1.00 0.70 C ATOM 1079 C GLN A 87 -18.497 -12.408 1.463 1.00 0.70 C ATOM 1080 O GLN A 87 -18.732 -13.454 2.078 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.346 -12.931 0.284 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.901 -13.943 -0.767 1.00 0.91 C ATOM 1083 CD GLN A 87 -16.642 -13.805 -2.087 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -16.248 -13.029 -2.960 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -17.711 -14.569 -2.245 1.00 1.21 N ATOM 0 H GLN A 87 -16.954 -10.563 -0.328 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.323 -13.126 -0.540 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.674 -12.073 0.254 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.244 -13.381 1.271 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -14.832 -13.826 -0.945 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.051 -14.950 -0.378 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.003 -15.198 -1.497 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.243 -14.529 -3.115 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.843 -11.212 1.915 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.525 -11.044 3.186 1.00 0.71 C ATOM 1096 C CYS A 88 -21.029 -10.924 2.976 1.00 0.71 C ATOM 1097 O CYS A 88 -21.487 -10.102 2.179 1.00 0.74 O ATOM 1098 CB CYS A 88 -18.990 -9.807 3.911 1.00 0.73 C ATOM 1099 SG CYS A 88 -17.186 -9.699 3.946 1.00 1.44 S ATOM 0 H CYS A 88 -18.661 -10.341 1.417 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.333 -11.923 3.801 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.388 -8.915 3.428 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.364 -9.809 4.935 1.00 0.73 H new ATOM 0 HG CYS A 88 -16.800 -9.267 5.110 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.819 -11.744 3.696 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.287 -11.743 3.591 1.00 0.79 C ATOM 1107 C PRO A 89 -23.913 -10.381 3.895 1.00 0.74 C ATOM 1108 O PRO A 89 -24.915 -10.004 3.289 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.721 -12.767 4.646 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.534 -13.636 4.863 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.339 -12.752 4.666 1.00 0.81 C ATOM 0 HA PRO A 89 -23.610 -11.978 2.577 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.022 -12.275 5.571 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.576 -13.348 4.301 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.542 -14.066 5.865 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.525 -14.468 4.159 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.021 -12.291 5.601 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.486 -13.309 4.279 1.00 0.81 H new ATOM 1119 N SER A 90 -23.315 -9.648 4.829 1.00 0.71 N ATOM 1120 CA SER A 90 -23.817 -8.338 5.222 1.00 0.71 C ATOM 1121 C SER A 90 -23.835 -7.371 4.037 1.00 0.65 C ATOM 1122 O SER A 90 -24.736 -6.539 3.914 1.00 0.72 O ATOM 1123 CB SER A 90 -22.952 -7.788 6.352 1.00 0.75 C ATOM 1124 OG SER A 90 -21.785 -8.582 6.516 1.00 0.85 O ATOM 0 H SER A 90 -22.477 -9.943 5.330 1.00 0.71 H new ATOM 0 HA SER A 90 -24.845 -8.445 5.569 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.671 -6.758 6.134 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.523 -7.773 7.281 1.00 0.75 H new ATOM 0 HG SER A 90 -21.240 -8.216 7.243 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.834 -7.490 3.170 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.747 -6.633 2.003 1.00 0.60 C ATOM 1132 C GLY A 91 -22.438 -5.189 2.347 1.00 0.57 C ATOM 1133 O GLY A 91 -22.636 -4.297 1.522 1.00 0.64 O ATOM 0 H GLY A 91 -22.078 -8.169 3.257 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.974 -7.015 1.336 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.689 -6.676 1.457 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.958 -4.958 3.563 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.623 -3.611 4.008 1.00 0.51 C ATOM 1139 C ARG A 92 -20.221 -3.577 4.603 1.00 0.48 C ATOM 1140 O ARG A 92 -19.811 -2.586 5.211 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.644 -3.117 5.034 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.065 -3.073 4.503 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.938 -2.149 5.329 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.805 -0.750 4.923 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.322 0.263 5.603 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.997 0.039 6.726 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.174 1.502 5.159 1.00 0.60 N ATOM 0 H ARG A 92 -21.792 -5.686 4.258 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.649 -2.949 3.143 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.612 -3.767 5.909 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.358 -2.119 5.367 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.057 -2.737 3.466 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.488 -4.077 4.509 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.980 -2.455 5.233 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.672 -2.246 6.382 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.286 -0.543 4.070 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.118 -0.915 7.067 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.394 0.821 7.247 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.662 1.676 4.294 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.572 2.282 5.682 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.496 -4.673 4.430 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.137 -4.782 4.926 1.00 0.45 C ATOM 1163 C VAL A 93 -17.166 -4.314 3.849 1.00 0.41 C ATOM 1164 O VAL A 93 -17.069 -4.919 2.776 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.796 -6.231 5.343 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.355 -6.339 5.819 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.751 -6.715 6.421 1.00 0.56 C ATOM 0 H VAL A 93 -19.833 -5.505 3.945 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.047 -4.152 5.811 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.910 -6.869 4.467 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.143 -7.369 6.106 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.683 -6.041 5.015 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.206 -5.685 6.678 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.495 -7.737 6.702 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.672 -6.068 7.295 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.772 -6.688 6.041 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.478 -3.223 4.131 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.526 -2.652 3.197 1.00 0.37 C ATOM 1179 C TYR A 94 -14.104 -2.894 3.682 1.00 0.35 C ATOM 1180 O TYR A 94 -13.874 -3.106 4.873 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.784 -1.152 3.026 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.030 -0.833 2.228 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.294 -1.118 2.730 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.940 -0.245 0.974 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.432 -0.829 2.005 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.076 0.049 0.243 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.319 -0.245 0.764 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.448 0.042 0.039 1.00 0.53 O ATOM 0 H TYR A 94 -16.563 -2.710 5.009 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.651 -3.137 2.229 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.867 -0.693 4.011 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.923 -0.699 2.535 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.387 -1.574 3.705 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.968 -0.014 0.563 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.406 -1.060 2.409 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.991 0.507 -0.731 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.390 -0.386 -0.840 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.157 -2.861 2.762 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.765 -3.087 3.100 1.00 0.33 C ATOM 1200 C VAL A 95 -10.856 -2.061 2.430 1.00 0.31 C ATOM 1201 O VAL A 95 -10.995 -1.753 1.244 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.313 -4.519 2.713 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.475 -4.766 1.218 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.877 -4.773 3.148 1.00 0.38 C ATOM 0 H VAL A 95 -13.328 -2.679 1.773 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.680 -2.975 4.181 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.958 -5.222 3.240 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.150 -5.778 0.979 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.522 -4.647 0.941 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.869 -4.050 0.663 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.585 -5.784 2.865 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.217 -4.055 2.662 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.799 -4.662 4.230 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.948 -1.517 3.216 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.983 -0.554 2.736 1.00 0.30 C ATOM 1216 C LEU A 96 -7.624 -1.235 2.670 1.00 0.30 C ATOM 1217 O LEU A 96 -6.943 -1.387 3.687 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.934 0.660 3.671 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.955 1.764 3.267 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.497 2.562 2.091 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.674 2.680 4.447 1.00 0.44 C ATOM 0 H LEU A 96 -9.860 -1.733 4.209 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.267 -0.199 1.745 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.934 1.090 3.732 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.673 0.316 4.672 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.020 1.296 2.959 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.784 3.341 1.821 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.649 1.898 1.240 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.447 3.019 2.368 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.976 3.460 4.144 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.605 3.137 4.783 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.239 2.101 5.262 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.251 -1.679 1.484 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.986 -2.368 1.301 1.00 0.33 C ATOM 1235 C LYS A 97 -4.992 -1.493 0.561 1.00 0.26 C ATOM 1236 O LYS A 97 -5.240 -1.066 -0.569 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.184 -3.682 0.537 1.00 0.45 C ATOM 1238 CG LYS A 97 -4.876 -4.406 0.254 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.011 -5.392 -0.894 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.653 -5.751 -1.473 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.962 -4.566 -2.046 1.00 0.89 N ATOM 0 H LYS A 97 -7.805 -1.575 0.634 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.589 -2.591 2.291 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.838 -4.336 1.113 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.690 -3.475 -0.406 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.101 -3.677 0.017 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.552 -4.935 1.151 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.510 -6.295 -0.544 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.640 -4.962 -1.674 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.031 -6.192 -0.694 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -3.777 -6.508 -2.247 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.206 -4.881 -2.687 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.646 -3.988 -2.575 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.551 -3.999 -1.277 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.869 -1.236 1.208 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.821 -0.422 0.618 1.00 0.30 C ATOM 1257 C PHE A 98 -2.196 -1.164 -0.558 1.00 0.33 C ATOM 1258 O PHE A 98 -2.163 -2.396 -0.579 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.754 -0.087 1.668 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.187 0.963 2.653 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.128 0.675 3.627 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.651 2.238 2.601 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.528 1.638 4.533 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.046 3.206 3.503 1.00 0.72 C ATOM 1265 CZ PHE A 98 -2.986 2.907 4.468 1.00 0.77 C ATOM 0 H PHE A 98 -3.659 -1.580 2.145 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.253 0.512 0.258 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.492 -0.996 2.210 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.851 0.253 1.161 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.555 -0.316 3.679 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.916 2.478 1.847 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.261 1.400 5.289 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.619 4.197 3.453 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.298 3.664 5.172 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.708 -0.415 -1.534 1.00 0.40 N ATOM 1276 CA LYS A 99 -1.087 -1.003 -2.715 1.00 0.48 C ATOM 1277 C LYS A 99 0.400 -1.231 -2.473 1.00 0.54 C ATOM 1278 O LYS A 99 1.180 -1.402 -3.416 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.283 -0.096 -3.932 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.731 0.056 -4.365 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.826 0.777 -5.699 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.263 0.898 -6.178 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.363 0.711 -7.650 1.00 1.11 N ATOM 0 H LYS A 99 -1.729 0.605 -1.533 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.565 -1.962 -2.912 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.877 0.890 -3.706 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.706 -0.495 -4.766 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -3.196 -0.927 -4.444 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.285 0.610 -3.607 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.390 1.772 -5.606 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.239 0.240 -6.444 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.880 0.155 -5.673 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.657 1.877 -5.907 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.356 0.800 -7.945 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.793 1.436 -8.132 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.009 -0.233 -7.905 1.00 1.11 H new ATOM 1297 N ALA A 100 0.780 -1.212 -1.208 1.00 0.55 N ATOM 1298 CA ALA A 100 2.155 -1.420 -0.805 1.00 0.63 C ATOM 1299 C ALA A 100 2.191 -2.144 0.528 1.00 0.62 C ATOM 1300 O ALA A 100 1.548 -1.721 1.490 1.00 1.36 O ATOM 1301 CB ALA A 100 2.887 -0.092 -0.710 1.00 0.89 C ATOM 0 H ALA A 100 0.140 -1.051 -0.430 1.00 0.55 H new ATOM 0 HA ALA A 100 2.657 -2.031 -1.555 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.919 -0.266 -0.406 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.873 0.401 -1.682 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.394 0.543 0.026 1.00 0.89 H new ATOM 1307 N GLY A 101 2.916 -3.247 0.574 1.00 0.78 N ATOM 1308 CA GLY A 101 3.014 -4.012 1.794 1.00 0.83 C ATOM 1309 C GLY A 101 1.828 -4.932 1.987 1.00 0.73 C ATOM 1310 O GLY A 101 1.313 -5.507 1.024 1.00 1.06 O ATOM 0 H GLY A 101 3.440 -3.627 -0.214 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.931 -4.602 1.779 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.086 -3.332 2.643 1.00 0.83 H new ATOM 1314 N SER A 102 1.378 -5.054 3.224 1.00 0.51 N ATOM 1315 CA SER A 102 0.254 -5.916 3.540 1.00 0.48 C ATOM 1316 C SER A 102 -0.697 -5.235 4.518 1.00 0.52 C ATOM 1317 O SER A 102 -1.430 -5.898 5.251 1.00 1.13 O ATOM 1318 CB SER A 102 0.767 -7.231 4.126 1.00 0.60 C ATOM 1319 OG SER A 102 2.017 -7.046 4.777 1.00 1.00 O ATOM 0 H SER A 102 1.775 -4.566 4.027 1.00 0.51 H new ATOM 0 HA SER A 102 -0.299 -6.121 2.623 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.039 -7.626 4.835 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.872 -7.970 3.332 1.00 0.60 H new ATOM 0 HG SER A 102 2.324 -7.901 5.145 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.688 -3.908 4.515 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.541 -3.134 5.408 1.00 0.42 C ATOM 1327 C LYS A 103 -2.997 -3.188 4.951 1.00 0.39 C ATOM 1328 O LYS A 103 -3.354 -2.633 3.910 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.056 -1.686 5.474 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.393 -0.986 6.781 1.00 0.60 C ATOM 1331 CD LYS A 103 -0.772 0.402 6.845 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.024 1.069 8.190 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.299 0.390 9.297 1.00 1.17 N ATOM 0 H LYS A 103 -0.098 -3.344 3.903 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.483 -3.571 6.405 1.00 0.42 H new ATOM 0 HB2 LYS A 103 0.024 -1.667 5.331 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.497 -1.127 4.649 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.475 -0.907 6.884 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.036 -1.585 7.619 1.00 0.60 H new ATOM 0 HD2 LYS A 103 0.301 0.329 6.670 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.183 1.022 6.048 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.713 2.113 8.140 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.093 1.065 8.401 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.345 0.977 10.154 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -0.739 -0.533 9.486 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 0.695 0.250 9.026 1.00 1.17 H new ATOM 1347 N ARG A 104 -3.827 -3.878 5.726 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.244 -4.019 5.411 1.00 0.38 C ATOM 1349 C ARG A 104 -6.098 -3.550 6.577 1.00 0.37 C ATOM 1350 O ARG A 104 -5.791 -3.838 7.731 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.582 -5.478 5.103 1.00 0.47 C ATOM 1352 CG ARG A 104 -4.750 -6.086 3.987 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.801 -7.607 4.025 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.004 -8.218 2.960 1.00 1.11 N ATOM 1355 CZ ARG A 104 -2.861 -8.878 3.162 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.374 -9.022 4.390 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -2.202 -9.398 2.134 1.00 1.70 N ATOM 0 H ARG A 104 -3.540 -4.351 6.583 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.455 -3.405 4.536 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.445 -6.070 6.008 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.636 -5.546 4.834 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.116 -5.732 3.023 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -3.716 -5.752 4.078 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.439 -7.956 4.992 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.836 -7.936 3.935 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.344 -8.134 2.002 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.874 -8.627 5.186 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.500 -9.528 4.536 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.569 -9.294 1.188 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -1.329 -9.902 2.290 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.157 -2.817 6.268 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.075 -2.321 7.287 1.00 0.34 C ATOM 1373 C LEU A 105 -9.513 -2.610 6.880 1.00 0.33 C ATOM 1374 O LEU A 105 -9.898 -2.370 5.740 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.875 -0.818 7.498 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.528 -0.422 8.112 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.291 1.074 7.971 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.462 -0.828 9.576 1.00 0.82 C ATOM 0 H LEU A 105 -7.404 -2.550 5.315 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.866 -2.833 8.226 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.981 -0.315 6.537 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.673 -0.448 8.141 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.744 -0.951 7.570 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.329 1.333 8.414 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.289 1.344 6.915 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.085 1.618 8.483 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.497 -0.537 9.991 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.259 -0.330 10.128 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.582 -1.908 9.660 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.303 -3.130 7.807 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.696 -3.462 7.519 1.00 0.34 C ATOM 1392 C PHE A 106 -12.649 -2.505 8.232 1.00 0.35 C ATOM 1393 O PHE A 106 -12.416 -2.124 9.382 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.004 -4.903 7.935 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.273 -5.945 7.134 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -9.978 -6.312 7.464 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.884 -6.561 6.054 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.307 -7.271 6.731 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.219 -7.523 5.317 1.00 0.50 C ATOM 1400 CZ PHE A 106 -9.928 -7.878 5.656 1.00 0.52 C ATOM 0 H PHE A 106 -10.008 -3.332 8.762 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.844 -3.362 6.444 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.752 -5.027 8.988 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.076 -5.075 7.842 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.488 -5.843 8.304 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.893 -6.286 5.784 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.297 -7.546 6.998 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.708 -7.996 4.478 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.405 -8.629 5.082 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.718 -2.122 7.545 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.720 -1.211 8.097 1.00 0.37 C ATOM 1412 C PHE A 107 -16.116 -1.639 7.663 1.00 0.39 C ATOM 1413 O PHE A 107 -16.282 -2.236 6.603 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.475 0.225 7.617 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.215 0.856 8.142 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -13.198 1.479 9.379 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.050 0.840 7.387 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -12.045 2.074 9.856 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.893 1.431 7.862 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.891 2.049 9.096 1.00 0.46 C ATOM 0 H PHE A 107 -13.917 -2.431 6.593 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.640 -1.247 9.183 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.440 0.229 6.528 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.324 0.842 7.911 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -14.096 1.500 9.978 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.047 0.361 6.419 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -12.046 2.558 10.822 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.992 1.409 7.267 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.989 2.512 9.467 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.117 -1.348 8.475 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.481 -1.695 8.116 1.00 0.43 C ATOM 1432 C TRP A 108 -19.376 -0.467 8.220 1.00 0.45 C ATOM 1433 O TRP A 108 -19.370 0.233 9.233 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.014 -2.869 8.957 1.00 0.45 C ATOM 1435 CG TRP A 108 -19.115 -2.617 10.435 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -18.088 -2.550 11.333 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.320 -2.440 11.190 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.581 -2.333 12.597 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.947 -2.262 12.535 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.679 -2.410 10.859 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.881 -2.057 13.546 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.605 -2.209 11.865 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -22.203 -2.035 13.195 1.00 0.74 C ATOM 0 H TRP A 108 -17.015 -0.879 9.375 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.487 -2.035 7.080 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.002 -3.140 8.585 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.366 -3.731 8.797 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -17.042 -2.653 11.086 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -18.020 -2.240 13.444 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.999 -2.542 9.836 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.573 -1.920 14.572 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.657 -2.186 11.621 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.951 -1.880 13.958 1.00 0.74 H new ATOM 1454 N MET A 109 -20.120 -0.205 7.149 1.00 0.46 N ATOM 1455 CA MET A 109 -21.011 0.952 7.073 1.00 0.48 C ATOM 1456 C MET A 109 -22.083 0.913 8.154 1.00 0.50 C ATOM 1457 O MET A 109 -22.748 -0.105 8.350 1.00 0.51 O ATOM 1458 CB MET A 109 -21.678 1.021 5.695 1.00 0.50 C ATOM 1459 CG MET A 109 -20.723 1.339 4.557 1.00 0.50 C ATOM 1460 SD MET A 109 -20.149 3.049 4.579 1.00 0.58 S ATOM 1461 CE MET A 109 -19.053 3.044 3.161 1.00 0.60 C ATOM 0 H MET A 109 -20.123 -0.786 6.311 1.00 0.46 H new ATOM 0 HA MET A 109 -20.401 1.841 7.231 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.164 0.067 5.491 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.461 1.779 5.720 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.863 0.672 4.614 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.219 1.140 3.607 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.614 4.034 3.037 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.260 2.313 3.317 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.617 2.782 2.266 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.239 2.024 8.856 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.233 2.135 9.911 1.00 0.53 C ATOM 1473 C GLN A 110 -24.324 3.110 9.489 1.00 0.56 C ATOM 1474 O GLN A 110 -25.135 3.550 10.304 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.580 2.593 11.216 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.675 1.543 11.841 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.948 2.044 13.073 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.651 3.231 13.201 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.657 1.137 13.991 1.00 0.53 N ATOM 0 H GLN A 110 -21.685 2.868 8.712 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.680 1.156 10.081 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.999 3.495 11.025 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.360 2.861 11.929 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -22.271 0.670 12.108 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.943 1.216 11.102 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.921 0.162 13.847 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.169 1.412 14.843 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.322 3.445 8.204 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.313 4.354 7.643 1.00 0.60 C ATOM 1490 C GLU A 111 -26.694 3.700 7.655 1.00 0.63 C ATOM 1491 O GLU A 111 -26.808 2.484 7.516 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.928 4.740 6.211 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.679 5.600 6.122 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.891 7.004 6.652 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.818 7.693 6.180 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.131 7.433 7.541 1.00 0.67 O ATOM 0 H GLU A 111 -23.641 3.098 7.528 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.344 5.256 8.254 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.774 3.831 5.629 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.760 5.275 5.753 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.875 5.123 6.682 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.355 5.654 5.083 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.758 4.495 7.823 1.00 0.67 N ATOM 1504 CA PRO A 112 -29.132 3.978 7.862 1.00 0.71 C ATOM 1505 C PRO A 112 -29.608 3.424 6.518 1.00 0.71 C ATOM 1506 O PRO A 112 -30.601 2.702 6.459 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.963 5.203 8.255 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.146 6.377 7.849 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.713 5.958 8.014 1.00 0.71 C ATOM 0 HA PRO A 112 -29.219 3.138 8.552 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.929 5.202 7.750 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.164 5.215 9.326 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.354 6.660 6.817 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.373 7.244 8.469 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.067 6.439 7.280 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.328 6.223 8.999 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.904 3.754 5.443 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.285 3.284 4.116 1.00 0.75 C ATOM 1519 C LYS A 113 -28.064 2.911 3.281 1.00 0.69 C ATOM 1520 O LYS A 113 -27.014 3.547 3.378 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.102 4.354 3.393 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.582 4.325 3.743 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.193 5.713 3.702 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.695 5.658 3.929 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.240 6.977 4.333 1.00 1.51 N ATOM 0 H LYS A 113 -28.071 4.342 5.462 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.892 2.388 4.243 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.698 5.336 3.638 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.988 4.222 2.317 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.109 3.674 3.045 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.713 3.898 4.737 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.730 6.340 4.464 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.985 6.177 2.738 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.189 5.325 3.016 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.919 4.921 4.700 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.267 6.899 4.478 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.787 7.283 5.218 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.048 7.675 3.586 1.00 1.51 H new ATOM 1539 N THR A 114 -28.222 1.891 2.449 1.00 0.69 N ATOM 1540 CA THR A 114 -27.151 1.418 1.585 1.00 0.66 C ATOM 1541 C THR A 114 -27.105 2.218 0.282 1.00 0.67 C ATOM 1542 O THR A 114 -26.275 1.965 -0.594 1.00 0.69 O ATOM 1543 CB THR A 114 -27.361 -0.066 1.245 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.765 -0.355 1.204 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.694 -0.965 2.269 1.00 0.86 C ATOM 0 H THR A 114 -29.094 1.370 2.354 1.00 0.69 H new ATOM 0 HA THR A 114 -26.210 1.549 2.120 1.00 0.66 H new ATOM 0 HB THR A 114 -26.909 -0.258 0.272 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.898 -1.301 0.985 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.861 -2.008 2.001 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.623 -0.762 2.289 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.118 -0.772 3.254 1.00 0.86 H new ATOM 1553 N ASP A 115 -27.998 3.193 0.172 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.096 4.031 -1.018 1.00 0.72 C ATOM 1555 C ASP A 115 -26.848 4.881 -1.222 1.00 0.68 C ATOM 1556 O ASP A 115 -26.546 5.284 -2.343 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.326 4.939 -0.933 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.581 4.267 -1.453 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.229 3.528 -0.684 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -30.931 4.478 -2.637 1.00 1.19 O ATOM 0 H ASP A 115 -28.672 3.425 0.901 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.192 3.362 -1.873 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.481 5.239 0.103 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.142 5.849 -1.504 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.118 5.152 -0.147 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.911 5.967 -0.243 1.00 0.64 C ATOM 1567 C GLN A 116 -23.665 5.161 0.112 1.00 0.60 C ATOM 1568 O GLN A 116 -22.580 5.724 0.257 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.016 7.189 0.669 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.005 8.237 0.186 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.658 8.794 -1.179 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.090 8.268 -2.204 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -24.875 9.863 -1.208 1.00 0.92 N ATOM 0 H GLN A 116 -26.337 4.823 0.794 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.820 6.299 -1.277 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.308 6.861 1.667 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.031 7.648 0.760 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.002 7.798 0.150 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.041 9.054 0.907 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.536 10.271 -0.337 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.611 10.278 -2.102 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.818 3.849 0.232 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.697 2.977 0.588 1.00 0.58 C ATOM 1584 C ASP A 117 -21.594 3.044 -0.465 1.00 0.55 C ATOM 1585 O ASP A 117 -20.476 3.488 -0.178 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.169 1.533 0.771 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.588 1.233 2.201 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.742 2.185 2.992 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.782 0.045 2.537 1.00 0.64 O ATOM 0 H ASP A 117 -24.703 3.362 0.089 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.288 3.331 1.534 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.008 1.341 0.102 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.368 0.853 0.480 1.00 0.60 H new ATOM 1594 N GLU A 118 -21.920 2.635 -1.688 1.00 0.56 N ATOM 1595 CA GLU A 118 -20.958 2.652 -2.786 1.00 0.56 C ATOM 1596 C GLU A 118 -20.517 4.081 -3.088 1.00 0.55 C ATOM 1597 O GLU A 118 -19.366 4.326 -3.453 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.566 2.017 -4.038 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.925 0.550 -3.866 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.735 -0.299 -3.474 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.777 -0.388 -4.270 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.752 -0.883 -2.374 1.00 0.70 O ATOM 0 H GLU A 118 -22.844 2.287 -1.944 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.085 2.072 -2.485 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.462 2.571 -4.317 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -20.861 2.115 -4.863 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.700 0.456 -3.105 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.346 0.171 -4.797 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.444 5.020 -2.915 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.178 6.433 -3.158 1.00 0.59 C ATOM 1611 C GLU A 119 -20.065 6.926 -2.241 1.00 0.56 C ATOM 1612 O GLU A 119 -19.152 7.628 -2.671 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.451 7.252 -2.932 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.293 8.743 -3.209 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.968 9.051 -4.657 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.157 8.169 -5.519 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.536 10.191 -4.938 1.00 1.25 O ATOM 0 H GLU A 119 -22.395 4.823 -2.604 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.857 6.558 -4.192 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.242 6.857 -3.570 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.777 7.118 -1.901 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.214 9.257 -2.933 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.503 9.142 -2.573 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.142 6.540 -0.969 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.133 6.931 0.009 1.00 0.54 C ATOM 1626 C HIS A 120 -17.782 6.338 -0.368 1.00 0.51 C ATOM 1627 O HIS A 120 -16.753 7.002 -0.268 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.525 6.465 1.418 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.613 7.275 2.056 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.601 6.721 2.845 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.865 8.607 2.022 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.412 7.676 3.264 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.984 8.825 2.783 1.00 0.74 N ATOM 0 H HIS A 120 -20.891 5.958 -0.594 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.065 8.019 0.009 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.845 5.424 1.368 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.642 6.497 2.057 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.292 9.355 1.495 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.278 7.538 3.894 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.417 9.733 2.950 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.801 5.089 -0.823 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.587 4.390 -1.220 1.00 0.48 C ATOM 1644 C CYS A 121 -15.894 5.101 -2.382 1.00 0.48 C ATOM 1645 O CYS A 121 -14.666 5.228 -2.402 1.00 0.47 O ATOM 1646 CB CYS A 121 -16.924 2.947 -1.608 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.500 1.939 -2.077 1.00 0.48 S ATOM 0 H CYS A 121 -18.653 4.537 -0.926 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.901 4.386 -0.373 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.430 2.469 -0.770 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.629 2.964 -2.439 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.548 2.101 -1.207 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.683 5.578 -3.339 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.141 6.279 -4.498 1.00 0.54 C ATOM 1655 C ARG A 122 -15.437 7.562 -4.073 1.00 0.53 C ATOM 1656 O ARG A 122 -14.281 7.795 -4.434 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.246 6.602 -5.506 1.00 0.59 C ATOM 1658 CG ARG A 122 -16.757 7.409 -6.703 1.00 0.85 C ATOM 1659 CD ARG A 122 -17.895 7.755 -7.644 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.404 6.573 -8.346 1.00 1.09 N ATOM 1661 CZ ARG A 122 -19.652 6.116 -8.241 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.532 6.734 -7.462 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.017 5.033 -8.923 1.00 1.52 N ATOM 0 H ARG A 122 -17.699 5.492 -3.335 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.415 5.621 -4.975 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -17.687 5.671 -5.861 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.037 7.157 -5.001 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.280 8.325 -6.355 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -15.999 6.840 -7.241 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.704 8.218 -7.080 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -17.553 8.490 -8.372 1.00 0.89 H new ATOM 0 HE ARG A 122 -17.761 6.067 -8.955 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.255 7.565 -6.939 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.485 6.378 -7.387 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -19.343 4.557 -9.523 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -20.971 4.679 -8.846 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.135 8.377 -3.287 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.589 9.643 -2.809 1.00 0.53 C ATOM 1679 C LYS A 123 -14.292 9.420 -2.041 1.00 0.51 C ATOM 1680 O LYS A 123 -13.334 10.182 -2.190 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.605 10.363 -1.923 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.921 10.651 -2.628 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.695 11.771 -1.949 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.031 12.014 -2.633 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.555 13.380 -2.370 1.00 1.12 N ATOM 0 H LYS A 123 -17.084 8.182 -2.967 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.373 10.266 -3.677 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.800 9.756 -1.039 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.173 11.302 -1.577 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.725 10.922 -3.665 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.530 9.747 -2.644 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.861 11.518 -0.902 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.104 12.687 -1.966 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.919 11.870 -3.708 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.754 11.276 -2.286 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.467 13.501 -2.855 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.687 13.510 -1.347 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.878 14.086 -2.724 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.263 8.369 -1.228 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.074 8.040 -0.455 1.00 0.46 C ATOM 1701 C VAL A 124 -11.903 7.743 -1.387 1.00 0.45 C ATOM 1702 O VAL A 124 -10.826 8.309 -1.237 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.319 6.832 0.481 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.018 6.327 1.088 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.298 7.207 1.581 1.00 0.50 C ATOM 0 H VAL A 124 -15.048 7.733 -1.089 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.835 8.904 0.165 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.746 6.028 -0.118 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.226 5.479 1.740 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.342 6.016 0.292 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.553 7.125 1.668 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.461 6.348 2.232 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.891 8.032 2.165 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.246 7.510 1.137 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.137 6.879 -2.371 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.101 6.503 -3.332 1.00 0.48 C ATOM 1717 C ASN A 125 -10.561 7.721 -4.077 1.00 0.49 C ATOM 1718 O ASN A 125 -9.347 7.899 -4.204 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.649 5.497 -4.349 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.517 4.059 -3.892 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.498 3.407 -4.127 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.550 3.548 -3.243 1.00 0.77 N ATOM 0 H ASN A 125 -13.037 6.424 -2.525 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.287 6.048 -2.767 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.700 5.717 -4.539 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.122 5.621 -5.295 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.521 2.582 -2.918 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.376 4.120 -3.068 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.472 8.556 -4.558 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.105 9.752 -5.309 1.00 0.56 C ATOM 1731 C GLU A 126 -10.240 10.711 -4.493 1.00 0.55 C ATOM 1732 O GLU A 126 -9.205 11.176 -4.964 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.360 10.486 -5.780 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.107 9.779 -6.898 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.137 10.671 -7.553 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -13.762 11.753 -8.058 1.00 1.27 O ATOM 1737 OE2 GLU A 126 -15.329 10.301 -7.567 1.00 1.30 O ATOM 0 H GLU A 126 -12.477 8.427 -4.441 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.519 9.418 -6.166 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.033 10.615 -4.932 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.079 11.483 -6.118 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.395 9.438 -7.649 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.599 8.892 -6.499 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.658 10.999 -3.272 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.933 11.936 -2.415 1.00 0.55 C ATOM 1746 C TYR A 127 -8.630 11.356 -1.861 1.00 0.52 C ATOM 1747 O TYR A 127 -7.798 12.099 -1.340 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.829 12.392 -1.263 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.802 13.489 -1.647 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -12.973 13.201 -2.337 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -11.546 14.815 -1.317 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -13.862 14.199 -2.686 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.430 15.819 -1.662 1.00 0.79 C ATOM 1754 CZ TYR A 127 -13.585 15.506 -2.346 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.472 16.503 -2.689 1.00 0.84 O ATOM 0 H TYR A 127 -11.495 10.600 -2.847 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.661 12.787 -3.039 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.390 11.535 -0.889 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.202 12.745 -0.444 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -13.192 12.178 -2.605 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -10.641 15.064 -0.782 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -14.768 13.957 -3.222 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.217 16.844 -1.397 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.130 17.367 -2.376 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.449 10.048 -1.969 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.239 9.412 -1.456 1.00 0.49 C ATOM 1767 C LEU A 128 -6.186 9.223 -2.547 1.00 0.53 C ATOM 1768 O LEU A 128 -4.992 9.365 -2.292 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.564 8.055 -0.823 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.425 8.101 0.445 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.419 6.747 1.136 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.944 9.186 1.397 1.00 0.44 C ATOM 0 H LEU A 128 -9.116 9.409 -2.402 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.830 10.079 -0.697 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.075 7.442 -1.565 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.627 7.552 -0.585 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.447 8.342 0.151 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.034 6.794 2.035 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.821 5.992 0.460 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.397 6.482 1.409 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.574 9.195 2.287 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.912 8.986 1.685 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.002 10.156 0.902 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.625 8.905 -3.757 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.690 8.673 -4.855 1.00 0.59 C ATOM 1786 C ASN A 129 -5.553 9.886 -5.772 1.00 0.65 C ATOM 1787 O ASN A 129 -4.677 9.914 -6.638 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.120 7.454 -5.673 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.528 6.164 -5.145 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.403 6.136 -4.643 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.280 5.082 -5.258 1.00 0.89 N ATOM 0 H ASN A 129 -7.609 8.802 -4.004 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.714 8.489 -4.405 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.208 7.381 -5.666 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -5.817 7.591 -6.711 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -5.934 4.183 -4.923 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.206 5.147 -5.680 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.409 10.883 -5.590 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.359 12.086 -6.416 1.00 0.74 C ATOM 1800 C ASN A 130 -6.637 13.325 -5.579 1.00 0.80 C ATOM 1801 O ASN A 130 -7.696 13.957 -5.772 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.372 11.992 -7.560 1.00 0.82 C ATOM 1803 CG ASN A 130 -6.714 11.650 -8.883 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -5.577 12.043 -9.144 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -7.423 10.922 -9.731 1.00 1.09 N ATOM 0 H ASN A 130 -7.143 10.885 -4.882 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.357 12.167 -6.837 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.118 11.234 -7.321 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.900 12.941 -7.654 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.030 10.668 -10.637 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.362 10.615 -9.478 1.00 1.09 H new ATOM 1813 N ALA B 26 37.959 -8.096 7.134 1.00 1.24 N ATOM 1814 CA ALA B 26 36.824 -7.733 8.007 1.00 1.15 C ATOM 1815 C ALA B 26 35.549 -7.555 7.188 1.00 1.06 C ATOM 1816 O ALA B 26 35.476 -6.677 6.328 1.00 1.08 O ATOM 1817 CB ALA B 26 37.144 -6.460 8.774 1.00 1.27 C ATOM 0 HA ALA B 26 36.660 -8.542 8.719 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.302 -6.200 9.415 1.00 1.27 H new ATOM 0 HB2 ALA B 26 38.031 -6.618 9.387 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.329 -5.648 8.071 1.00 1.27 H new ATOM 1825 N PRO B 27 34.528 -8.389 7.438 1.00 1.03 N ATOM 1826 CA PRO B 27 33.265 -8.309 6.717 1.00 0.98 C ATOM 1827 C PRO B 27 32.345 -7.233 7.284 1.00 0.96 C ATOM 1828 O PRO B 27 32.155 -7.138 8.498 1.00 1.05 O ATOM 1829 CB PRO B 27 32.657 -9.700 6.898 1.00 1.03 C ATOM 1830 CG PRO B 27 33.325 -10.314 8.090 1.00 1.15 C ATOM 1831 CD PRO B 27 34.525 -9.465 8.442 1.00 1.12 C ATOM 0 HA PRO B 27 33.407 -8.034 5.672 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.580 -9.634 7.050 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.816 -10.310 6.009 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.633 -10.363 8.931 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.633 -11.336 7.870 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.444 -9.064 9.452 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.446 -10.046 8.403 1.00 1.12 H new ATOM 1839 N ALA B 28 31.777 -6.423 6.404 1.00 0.95 N ATOM 1840 CA ALA B 28 30.881 -5.352 6.819 1.00 0.96 C ATOM 1841 C ALA B 28 29.425 -5.724 6.561 1.00 0.90 C ATOM 1842 O ALA B 28 28.649 -4.908 6.055 1.00 0.88 O ATOM 1843 CB ALA B 28 31.240 -4.063 6.099 1.00 1.04 C ATOM 0 H ALA B 28 31.920 -6.486 5.396 1.00 0.95 H new ATOM 0 HA ALA B 28 31.001 -5.201 7.892 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.564 -3.269 6.416 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.266 -3.785 6.341 1.00 1.04 H new ATOM 0 HB3 ALA B 28 31.148 -4.210 5.023 1.00 1.04 H new ATOM 1849 N GLU B 29 29.071 -6.958 6.928 1.00 0.93 N ATOM 1850 CA GLU B 29 27.716 -7.489 6.749 1.00 0.90 C ATOM 1851 C GLU B 29 27.319 -7.511 5.273 1.00 0.85 C ATOM 1852 O GLU B 29 26.743 -6.553 4.757 1.00 0.82 O ATOM 1853 CB GLU B 29 26.693 -6.695 7.566 1.00 0.91 C ATOM 1854 CG GLU B 29 26.993 -6.665 9.055 1.00 1.14 C ATOM 1855 CD GLU B 29 25.872 -6.041 9.859 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.963 -6.782 10.288 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.901 -4.809 10.076 1.00 1.30 O ATOM 0 H GLU B 29 29.717 -7.619 7.359 1.00 0.93 H new ATOM 0 HA GLU B 29 27.720 -8.515 7.116 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.656 -5.672 7.191 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.704 -7.127 7.412 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.167 -7.681 9.408 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.913 -6.106 9.226 1.00 1.14 H new ATOM 1864 N PRO B 30 27.617 -8.620 4.577 1.00 0.88 N ATOM 1865 CA PRO B 30 27.303 -8.786 3.154 1.00 0.88 C ATOM 1866 C PRO B 30 25.829 -9.103 2.901 1.00 0.82 C ATOM 1867 O PRO B 30 25.470 -9.616 1.840 1.00 0.85 O ATOM 1868 CB PRO B 30 28.177 -9.975 2.722 1.00 1.00 C ATOM 1869 CG PRO B 30 29.016 -10.336 3.904 1.00 1.07 C ATOM 1870 CD PRO B 30 28.306 -9.802 5.112 1.00 0.98 C ATOM 0 HA PRO B 30 27.495 -7.868 2.599 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.559 -10.818 2.413 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.802 -9.708 1.870 1.00 1.00 H new ATOM 0 HG2 PRO B 30 29.142 -11.416 3.974 1.00 1.07 H new ATOM 0 HG3 PRO B 30 30.013 -9.904 3.818 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.606 -10.528 5.525 1.00 0.98 H new ATOM 0 HD3 PRO B 30 29.002 -9.540 5.909 1.00 0.98 H new ATOM 1878 N LYS B 31 24.982 -8.807 3.876 1.00 0.78 N ATOM 1879 CA LYS B 31 23.553 -9.047 3.749 1.00 0.74 C ATOM 1880 C LYS B 31 22.891 -7.888 3.018 1.00 0.69 C ATOM 1881 O LYS B 31 22.834 -6.772 3.534 1.00 0.73 O ATOM 1882 CB LYS B 31 22.911 -9.237 5.124 1.00 0.76 C ATOM 1883 CG LYS B 31 23.202 -10.591 5.751 1.00 0.92 C ATOM 1884 CD LYS B 31 21.992 -11.135 6.494 1.00 1.11 C ATOM 1885 CE LYS B 31 20.899 -11.566 5.528 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.602 -11.803 6.215 1.00 1.45 N ATOM 0 H LYS B 31 25.262 -8.398 4.768 1.00 0.78 H new ATOM 0 HA LYS B 31 23.408 -9.961 3.173 1.00 0.74 H new ATOM 0 HB2 LYS B 31 23.266 -8.453 5.793 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.832 -9.113 5.032 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.500 -11.296 4.975 1.00 0.92 H new ATOM 0 HG3 LYS B 31 24.042 -10.501 6.439 1.00 0.92 H new ATOM 0 HD2 LYS B 31 22.292 -11.983 7.110 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.604 -10.372 7.169 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.769 -10.799 4.764 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.208 -12.477 5.015 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.888 -12.095 5.517 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 19.718 -12.553 6.926 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.292 -10.927 6.683 1.00 1.45 H new ATOM 1900 N ILE B 32 22.400 -8.158 1.818 1.00 0.68 N ATOM 1901 CA ILE B 32 21.758 -7.138 1.001 1.00 0.66 C ATOM 1902 C ILE B 32 20.261 -7.413 0.867 1.00 0.62 C ATOM 1903 O ILE B 32 19.844 -8.544 0.600 1.00 0.67 O ATOM 1904 CB ILE B 32 22.424 -7.054 -0.403 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.580 -6.044 -0.391 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.416 -6.676 -1.482 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.847 -6.561 0.260 1.00 1.20 C ATOM 0 H ILE B 32 22.434 -9.081 1.386 1.00 0.68 H new ATOM 0 HA ILE B 32 21.887 -6.177 1.499 1.00 0.66 H new ATOM 0 HB ILE B 32 22.815 -8.044 -0.638 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.804 -5.753 -1.417 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.257 -5.144 0.132 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.918 -6.627 -2.448 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.626 -7.426 -1.521 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.982 -5.704 -1.250 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.614 -5.788 0.228 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.641 -6.825 1.297 1.00 1.20 H new ATOM 0 HD13 ILE B 32 25.198 -7.443 -0.276 1.00 1.20 H new ATOM 1919 N ILE B 33 19.460 -6.379 1.075 1.00 0.58 N ATOM 1920 CA ILE B 33 18.013 -6.498 0.975 1.00 0.56 C ATOM 1921 C ILE B 33 17.498 -5.770 -0.257 1.00 0.54 C ATOM 1922 O ILE B 33 18.122 -4.816 -0.735 1.00 0.60 O ATOM 1923 CB ILE B 33 17.291 -5.941 2.221 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.952 -4.637 2.687 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.284 -6.973 3.335 1.00 0.67 C ATOM 1926 CD1 ILE B 33 17.173 -3.901 3.758 1.00 0.67 C ATOM 0 H ILE B 33 19.789 -5.444 1.315 1.00 0.58 H new ATOM 0 HA ILE B 33 17.796 -7.563 0.899 1.00 0.56 H new ATOM 0 HB ILE B 33 16.257 -5.721 1.955 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.949 -4.862 3.067 1.00 0.59 H new ATOM 0 HG13 ILE B 33 18.080 -3.979 1.828 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.771 -6.565 4.206 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.766 -7.870 2.997 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.310 -7.226 3.603 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.705 -2.991 4.034 1.00 0.67 H new ATOM 0 HD12 ILE B 33 16.185 -3.643 3.377 1.00 0.67 H new ATOM 0 HD13 ILE B 33 17.068 -4.540 4.635 1.00 0.67 H new ATOM 1938 N LYS B 34 16.363 -6.226 -0.765 1.00 0.53 N ATOM 1939 CA LYS B 34 15.752 -5.627 -1.941 1.00 0.53 C ATOM 1940 C LYS B 34 14.705 -4.592 -1.536 1.00 0.48 C ATOM 1941 O LYS B 34 13.897 -4.830 -0.640 1.00 0.57 O ATOM 1942 CB LYS B 34 15.091 -6.700 -2.810 1.00 0.58 C ATOM 1943 CG LYS B 34 16.020 -7.840 -3.202 1.00 0.76 C ATOM 1944 CD LYS B 34 15.281 -8.894 -4.014 1.00 0.87 C ATOM 1945 CE LYS B 34 16.110 -10.157 -4.191 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.329 -9.918 -5.004 1.00 1.31 N ATOM 0 H LYS B 34 15.844 -7.014 -0.378 1.00 0.53 H new ATOM 0 HA LYS B 34 16.539 -5.136 -2.513 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.235 -7.111 -2.274 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.705 -6.232 -3.716 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.856 -7.449 -3.782 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.440 -8.296 -2.305 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.342 -9.142 -3.518 1.00 0.87 H new ATOM 0 HD3 LYS B 34 15.027 -8.486 -4.992 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.398 -10.541 -3.212 1.00 1.07 H new ATOM 0 HE3 LYS B 34 15.502 -10.925 -4.669 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.863 -10.806 -5.098 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.056 -9.576 -5.947 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.924 -9.204 -4.536 1.00 1.31 H new ATOM 1960 N VAL B 35 14.728 -3.443 -2.191 1.00 0.44 N ATOM 1961 CA VAL B 35 13.772 -2.387 -1.905 1.00 0.41 C ATOM 1962 C VAL B 35 13.097 -1.924 -3.195 1.00 0.42 C ATOM 1963 O VAL B 35 13.735 -1.340 -4.077 1.00 0.45 O ATOM 1964 CB VAL B 35 14.436 -1.195 -1.171 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.774 -0.838 -1.797 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.514 0.016 -1.148 1.00 0.40 C ATOM 0 H VAL B 35 15.399 -3.218 -2.925 1.00 0.44 H new ATOM 0 HA VAL B 35 13.013 -2.794 -1.237 1.00 0.41 H new ATOM 0 HB VAL B 35 14.618 -1.504 -0.142 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.215 0.002 -1.260 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.443 -1.697 -1.740 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.625 -0.563 -2.841 1.00 0.42 H new ATOM 0 HG21 VAL B 35 14.005 0.838 -0.627 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.286 0.319 -2.170 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.589 -0.240 -0.631 1.00 0.40 H new ATOM 1976 N THR B 36 11.810 -2.217 -3.316 1.00 0.41 N ATOM 1977 CA THR B 36 11.047 -1.843 -4.494 1.00 0.43 C ATOM 1978 C THR B 36 10.436 -0.453 -4.329 1.00 0.39 C ATOM 1979 O THR B 36 9.578 -0.237 -3.470 1.00 0.40 O ATOM 1980 CB THR B 36 9.935 -2.866 -4.770 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.249 -4.108 -4.119 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.775 -3.099 -6.264 1.00 0.57 C ATOM 0 H THR B 36 11.272 -2.715 -2.607 1.00 0.41 H new ATOM 0 HA THR B 36 11.733 -1.828 -5.341 1.00 0.43 H new ATOM 0 HB THR B 36 8.997 -2.472 -4.378 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.902 -4.603 -4.657 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.982 -3.827 -6.436 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.517 -2.160 -6.753 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.711 -3.478 -6.675 1.00 0.57 H new ATOM 1990 N VAL B 37 10.875 0.481 -5.163 1.00 0.41 N ATOM 1991 CA VAL B 37 10.396 1.855 -5.099 1.00 0.40 C ATOM 1992 C VAL B 37 9.407 2.163 -6.223 1.00 0.43 C ATOM 1993 O VAL B 37 9.733 2.048 -7.409 1.00 0.51 O ATOM 1994 CB VAL B 37 11.568 2.862 -5.163 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.081 4.281 -4.897 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.660 2.473 -4.179 1.00 0.46 C ATOM 0 H VAL B 37 11.565 0.310 -5.895 1.00 0.41 H new ATOM 0 HA VAL B 37 9.884 1.961 -4.143 1.00 0.40 H new ATOM 0 HB VAL B 37 11.987 2.834 -6.169 1.00 0.46 H new ATOM 0 HG11 VAL B 37 11.924 4.970 -4.948 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.340 4.558 -5.647 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.630 4.331 -3.906 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.476 3.193 -4.238 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.253 2.468 -3.168 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.034 1.479 -4.425 1.00 0.46 H new ATOM 2006 N LYS B 38 8.193 2.535 -5.837 1.00 0.41 N ATOM 2007 CA LYS B 38 7.150 2.891 -6.789 1.00 0.46 C ATOM 2008 C LYS B 38 7.224 4.385 -7.073 1.00 0.50 C ATOM 2009 O LYS B 38 7.047 5.205 -6.169 1.00 0.63 O ATOM 2010 CB LYS B 38 5.770 2.535 -6.238 1.00 0.51 C ATOM 2011 CG LYS B 38 5.643 1.085 -5.796 1.00 0.65 C ATOM 2012 CD LYS B 38 4.379 0.856 -4.978 1.00 0.80 C ATOM 2013 CE LYS B 38 3.125 0.960 -5.831 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.882 0.861 -5.018 1.00 1.38 N ATOM 0 H LYS B 38 7.905 2.598 -4.860 1.00 0.41 H new ATOM 0 HA LYS B 38 7.304 2.330 -7.711 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.548 3.184 -5.391 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.020 2.740 -7.002 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.632 0.437 -6.672 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.515 0.807 -5.204 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.421 -0.129 -4.513 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.331 1.588 -4.171 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.131 1.908 -6.369 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.131 0.169 -6.581 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.056 0.835 -5.649 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.909 -0.008 -4.447 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.811 1.687 -4.390 1.00 1.38 H new ATOM 2028 N THR B 39 7.470 4.737 -8.324 1.00 0.55 N ATOM 2029 CA THR B 39 7.601 6.134 -8.708 1.00 0.60 C ATOM 2030 C THR B 39 6.565 6.506 -9.764 1.00 0.65 C ATOM 2031 O THR B 39 5.941 5.622 -10.356 1.00 0.67 O ATOM 2032 CB THR B 39 9.014 6.417 -9.265 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.264 5.598 -10.413 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.083 6.154 -8.211 1.00 0.68 C ATOM 0 H THR B 39 7.583 4.075 -9.092 1.00 0.55 H new ATOM 0 HA THR B 39 7.437 6.737 -7.815 1.00 0.60 H new ATOM 0 HB THR B 39 9.058 7.468 -9.549 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.612 4.867 -10.442 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.067 6.362 -8.631 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.912 6.801 -7.350 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.035 5.111 -7.897 1.00 0.68 H new ATOM 2042 N PRO B 40 6.350 7.814 -10.008 1.00 0.71 N ATOM 2043 CA PRO B 40 5.406 8.292 -11.023 1.00 0.78 C ATOM 2044 C PRO B 40 5.969 8.106 -12.431 1.00 0.81 C ATOM 2045 O PRO B 40 6.039 9.052 -13.222 1.00 0.87 O ATOM 2046 CB PRO B 40 5.249 9.788 -10.703 1.00 0.83 C ATOM 2047 CG PRO B 40 5.952 10.014 -9.405 1.00 0.85 C ATOM 2048 CD PRO B 40 6.988 8.938 -9.306 1.00 0.73 C ATOM 0 HA PRO B 40 4.462 7.748 -11.001 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.683 10.402 -11.492 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.197 10.061 -10.628 1.00 0.83 H new ATOM 0 HG2 PRO B 40 6.411 11.002 -9.377 1.00 0.85 H new ATOM 0 HG3 PRO B 40 5.254 9.963 -8.569 1.00 0.85 H new ATOM 0 HD2 PRO B 40 7.925 9.232 -9.779 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.218 8.691 -8.270 1.00 0.73 H new ATOM 2056 N LYS B 41 6.364 6.876 -12.733 1.00 0.82 N ATOM 2057 CA LYS B 41 6.948 6.543 -14.023 1.00 0.87 C ATOM 2058 C LYS B 41 7.129 5.035 -14.144 1.00 0.84 C ATOM 2059 O LYS B 41 6.533 4.398 -15.011 1.00 0.92 O ATOM 2060 CB LYS B 41 8.299 7.251 -14.192 1.00 0.93 C ATOM 2061 CG LYS B 41 8.936 7.063 -15.562 1.00 1.13 C ATOM 2062 CD LYS B 41 10.107 8.016 -15.770 1.00 1.21 C ATOM 2063 CE LYS B 41 11.279 7.681 -14.853 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.344 8.718 -14.901 1.00 1.37 N ATOM 0 H LYS B 41 6.289 6.085 -12.093 1.00 0.82 H new ATOM 0 HA LYS B 41 6.274 6.881 -14.810 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.163 8.317 -14.010 1.00 0.93 H new ATOM 0 HB3 LYS B 41 8.987 6.883 -13.431 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.280 6.034 -15.666 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.188 7.229 -16.338 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.433 7.970 -16.809 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.781 9.039 -15.584 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.919 7.579 -13.829 1.00 1.44 H new ATOM 0 HE3 LYS B 41 11.699 6.717 -15.141 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 13.120 8.449 -14.263 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.707 8.798 -15.872 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.951 9.633 -14.601 1.00 1.37 H new ATOM 2078 N GLU B 42 7.944 4.473 -13.261 1.00 0.77 N ATOM 2079 CA GLU B 42 8.220 3.040 -13.265 1.00 0.75 C ATOM 2080 C GLU B 42 8.375 2.509 -11.838 1.00 0.70 C ATOM 2081 O GLU B 42 8.137 3.229 -10.863 1.00 0.73 O ATOM 2082 CB GLU B 42 9.506 2.755 -14.052 1.00 0.83 C ATOM 2083 CG GLU B 42 9.308 2.637 -15.554 1.00 1.03 C ATOM 2084 CD GLU B 42 10.522 2.058 -16.248 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.951 0.942 -15.878 1.00 1.28 O ATOM 2086 OE2 GLU B 42 11.054 2.710 -17.173 1.00 1.41 O ATOM 0 H GLU B 42 8.429 4.991 -12.528 1.00 0.77 H new ATOM 0 HA GLU B 42 7.378 2.536 -13.739 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.223 3.551 -13.854 1.00 0.83 H new ATOM 0 HB3 GLU B 42 9.947 1.829 -13.682 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.442 2.007 -15.756 1.00 1.03 H new ATOM 0 HG3 GLU B 42 9.090 3.621 -15.968 1.00 1.03 H new ATOM 2093 N LYS B 43 8.773 1.248 -11.730 1.00 0.68 N ATOM 2094 CA LYS B 43 8.990 0.612 -10.443 1.00 0.64 C ATOM 2095 C LYS B 43 10.377 -0.021 -10.436 1.00 0.63 C ATOM 2096 O LYS B 43 10.606 -1.041 -11.088 1.00 0.74 O ATOM 2097 CB LYS B 43 7.911 -0.443 -10.164 1.00 0.67 C ATOM 2098 CG LYS B 43 7.947 -0.983 -8.743 1.00 0.67 C ATOM 2099 CD LYS B 43 6.741 -1.860 -8.437 1.00 0.74 C ATOM 2100 CE LYS B 43 6.816 -3.200 -9.151 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.757 -4.139 -8.684 1.00 0.98 N ATOM 0 H LYS B 43 8.953 0.642 -12.530 1.00 0.68 H new ATOM 0 HA LYS B 43 8.926 1.361 -9.654 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.930 -0.008 -10.355 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.034 -1.271 -10.862 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.861 -1.559 -8.597 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.979 -0.151 -8.039 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.676 -2.025 -7.362 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.830 -1.341 -8.735 1.00 0.74 H new ATOM 0 HE2 LYS B 43 6.716 -3.045 -10.225 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.796 -3.646 -8.984 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 5.843 -5.041 -9.195 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.868 -4.307 -7.664 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.821 -3.725 -8.867 1.00 0.98 H new ATOM 2115 N GLU B 44 11.304 0.594 -9.718 1.00 0.59 N ATOM 2116 CA GLU B 44 12.672 0.103 -9.658 1.00 0.60 C ATOM 2117 C GLU B 44 12.960 -0.529 -8.305 1.00 0.56 C ATOM 2118 O GLU B 44 12.446 -0.084 -7.278 1.00 0.60 O ATOM 2119 CB GLU B 44 13.657 1.244 -9.925 1.00 0.64 C ATOM 2120 CG GLU B 44 15.009 0.779 -10.443 1.00 0.81 C ATOM 2121 CD GLU B 44 14.916 0.115 -11.801 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.718 -1.117 -11.852 1.00 1.24 O ATOM 2123 OE2 GLU B 44 15.042 0.819 -12.823 1.00 1.21 O ATOM 0 H GLU B 44 11.133 1.436 -9.168 1.00 0.59 H new ATOM 0 HA GLU B 44 12.795 -0.659 -10.428 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.217 1.929 -10.649 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.805 1.807 -9.003 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.683 1.633 -10.506 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.446 0.080 -9.730 1.00 0.81 H new ATOM 2130 N GLU B 45 13.772 -1.572 -8.308 1.00 0.56 N ATOM 2131 CA GLU B 45 14.129 -2.262 -7.083 1.00 0.53 C ATOM 2132 C GLU B 45 15.632 -2.172 -6.852 1.00 0.55 C ATOM 2133 O GLU B 45 16.423 -2.706 -7.633 1.00 0.64 O ATOM 2134 CB GLU B 45 13.687 -3.725 -7.147 1.00 0.57 C ATOM 2135 CG GLU B 45 13.798 -4.453 -5.820 1.00 0.58 C ATOM 2136 CD GLU B 45 13.092 -5.789 -5.839 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.547 -6.692 -6.571 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.073 -5.940 -5.127 1.00 0.94 O ATOM 0 H GLU B 45 14.198 -1.960 -9.150 1.00 0.56 H new ATOM 0 HA GLU B 45 13.616 -1.783 -6.249 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.653 -3.769 -7.490 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.292 -4.246 -7.889 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.850 -4.604 -5.577 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.375 -3.832 -5.031 1.00 0.58 H new ATOM 2145 N PHE B 46 16.023 -1.490 -5.791 1.00 0.51 N ATOM 2146 CA PHE B 46 17.433 -1.327 -5.472 1.00 0.54 C ATOM 2147 C PHE B 46 17.881 -2.387 -4.471 1.00 0.54 C ATOM 2148 O PHE B 46 17.051 -3.101 -3.901 1.00 0.54 O ATOM 2149 CB PHE B 46 17.701 0.074 -4.917 1.00 0.53 C ATOM 2150 CG PHE B 46 17.399 1.181 -5.888 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.357 1.601 -6.798 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.159 1.801 -5.892 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.083 2.618 -7.695 1.00 0.90 C ATOM 2154 CE2 PHE B 46 15.879 2.816 -6.787 1.00 0.85 C ATOM 2155 CZ PHE B 46 16.842 3.225 -7.689 1.00 0.87 C ATOM 0 H PHE B 46 15.386 -1.039 -5.134 1.00 0.51 H new ATOM 0 HA PHE B 46 18.007 -1.451 -6.390 1.00 0.54 H new ATOM 0 HB2 PHE B 46 17.102 0.219 -4.018 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.747 0.142 -4.617 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.328 1.129 -6.807 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.403 1.487 -5.187 1.00 0.72 H new ATOM 0 HE1 PHE B 46 18.838 2.937 -8.399 1.00 0.90 H new ATOM 0 HE2 PHE B 46 14.908 3.289 -6.781 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.625 4.018 -8.389 1.00 0.87 H new ATOM 2165 N ALA B 47 19.187 -2.484 -4.262 1.00 0.57 N ATOM 2166 CA ALA B 47 19.742 -3.461 -3.338 1.00 0.60 C ATOM 2167 C ALA B 47 20.767 -2.805 -2.414 1.00 0.60 C ATOM 2168 O ALA B 47 21.793 -2.293 -2.868 1.00 0.66 O ATOM 2169 CB ALA B 47 20.365 -4.610 -4.119 1.00 0.69 C ATOM 0 H ALA B 47 19.882 -1.896 -4.722 1.00 0.57 H new ATOM 0 HA ALA B 47 18.941 -3.858 -2.715 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.780 -5.340 -3.424 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.602 -5.087 -4.734 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.160 -4.226 -4.759 1.00 0.69 H new ATOM 2175 N VAL B 48 20.486 -2.817 -1.118 1.00 0.57 N ATOM 2176 CA VAL B 48 21.379 -2.208 -0.133 1.00 0.59 C ATOM 2177 C VAL B 48 21.576 -3.126 1.071 1.00 0.58 C ATOM 2178 O VAL B 48 20.710 -3.946 1.375 1.00 0.57 O ATOM 2179 CB VAL B 48 20.841 -0.843 0.360 1.00 0.59 C ATOM 2180 CG1 VAL B 48 21.182 0.263 -0.629 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.337 -0.909 0.597 1.00 0.56 C ATOM 0 H VAL B 48 19.647 -3.241 -0.721 1.00 0.57 H new ATOM 0 HA VAL B 48 22.335 -2.051 -0.633 1.00 0.59 H new ATOM 0 HB VAL B 48 21.326 -0.611 1.308 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.794 1.213 -0.261 1.00 0.66 H new ATOM 0 HG12 VAL B 48 22.264 0.332 -0.739 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.733 0.038 -1.596 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.980 0.061 0.943 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.833 -1.170 -0.334 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.120 -1.665 1.351 1.00 0.56 H new ATOM 2191 N PRO B 49 22.731 -3.021 1.755 1.00 0.62 N ATOM 2192 CA PRO B 49 23.031 -3.837 2.940 1.00 0.63 C ATOM 2193 C PRO B 49 22.076 -3.572 4.104 1.00 0.60 C ATOM 2194 O PRO B 49 21.439 -2.519 4.179 1.00 0.61 O ATOM 2195 CB PRO B 49 24.455 -3.417 3.322 1.00 0.69 C ATOM 2196 CG PRO B 49 25.014 -2.764 2.108 1.00 0.79 C ATOM 2197 CD PRO B 49 23.849 -2.126 1.411 1.00 0.67 C ATOM 0 HA PRO B 49 22.925 -4.900 2.723 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.448 -2.731 4.169 1.00 0.69 H new ATOM 0 HB3 PRO B 49 25.054 -4.279 3.615 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.764 -2.020 2.375 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.504 -3.493 1.463 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.675 -1.109 1.762 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.004 -2.069 0.334 1.00 0.67 H new ATOM 2205 N GLU B 50 22.002 -4.523 5.028 1.00 0.61 N ATOM 2206 CA GLU B 50 21.119 -4.416 6.189 1.00 0.61 C ATOM 2207 C GLU B 50 21.721 -3.544 7.295 1.00 0.67 C ATOM 2208 O GLU B 50 21.421 -3.742 8.471 1.00 1.01 O ATOM 2209 CB GLU B 50 20.821 -5.808 6.763 1.00 0.68 C ATOM 2210 CG GLU B 50 20.064 -6.727 5.816 1.00 0.86 C ATOM 2211 CD GLU B 50 19.461 -7.926 6.524 1.00 0.93 C ATOM 2212 OE1 GLU B 50 20.183 -8.601 7.289 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.256 -8.194 6.328 1.00 1.08 O ATOM 0 H GLU B 50 22.547 -5.385 4.997 1.00 0.61 H new ATOM 0 HA GLU B 50 20.199 -3.945 5.843 1.00 0.61 H new ATOM 0 HB2 GLU B 50 21.762 -6.284 7.037 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.242 -5.694 7.680 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.271 -6.163 5.325 1.00 0.86 H new ATOM 0 HG3 GLU B 50 20.740 -7.073 5.034 1.00 0.86 H new ATOM 2220 N ASN B 51 22.563 -2.586 6.932 1.00 0.67 N ATOM 2221 CA ASN B 51 23.178 -1.711 7.929 1.00 0.69 C ATOM 2222 C ASN B 51 23.407 -0.302 7.392 1.00 0.71 C ATOM 2223 O ASN B 51 23.997 0.542 8.074 1.00 0.96 O ATOM 2224 CB ASN B 51 24.496 -2.299 8.446 1.00 0.76 C ATOM 2225 CG ASN B 51 25.521 -2.576 7.355 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.545 -1.933 6.306 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.391 -3.535 7.611 1.00 1.20 N ATOM 0 H ASN B 51 22.835 -2.394 5.968 1.00 0.67 H new ATOM 0 HA ASN B 51 22.476 -1.642 8.760 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.930 -1.610 9.171 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.284 -3.228 8.976 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.113 -3.764 6.928 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.341 -4.047 8.492 1.00 1.20 H new ATOM 2234 N SER B 52 22.940 -0.043 6.181 1.00 0.65 N ATOM 2235 CA SER B 52 23.103 1.268 5.576 1.00 0.67 C ATOM 2236 C SER B 52 22.080 2.247 6.138 1.00 0.63 C ATOM 2237 O SER B 52 21.020 1.846 6.623 1.00 0.68 O ATOM 2238 CB SER B 52 22.969 1.167 4.059 1.00 0.71 C ATOM 2239 OG SER B 52 23.710 0.065 3.572 1.00 0.86 O ATOM 0 H SER B 52 22.447 -0.721 5.600 1.00 0.65 H new ATOM 0 HA SER B 52 24.099 1.640 5.815 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.919 1.057 3.787 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.324 2.087 3.594 1.00 0.71 H new ATOM 0 HG SER B 52 24.449 0.388 3.015 1.00 0.86 H new ATOM 2245 N SER B 53 22.415 3.525 6.094 1.00 0.65 N ATOM 2246 CA SER B 53 21.534 4.563 6.593 1.00 0.64 C ATOM 2247 C SER B 53 20.632 5.079 5.474 1.00 0.57 C ATOM 2248 O SER B 53 20.971 4.979 4.293 1.00 0.58 O ATOM 2249 CB SER B 53 22.364 5.702 7.189 1.00 0.75 C ATOM 2250 OG SER B 53 23.399 5.193 8.016 1.00 0.89 O ATOM 0 H SER B 53 23.297 3.869 5.715 1.00 0.65 H new ATOM 0 HA SER B 53 20.898 4.147 7.374 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.795 6.302 6.387 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.720 6.362 7.770 1.00 0.75 H new ATOM 0 HG SER B 53 23.918 5.937 8.385 1.00 0.89 H new ATOM 2256 N VAL B 54 19.489 5.640 5.854 1.00 0.54 N ATOM 2257 CA VAL B 54 18.527 6.163 4.891 1.00 0.49 C ATOM 2258 C VAL B 54 19.147 7.283 4.066 1.00 0.48 C ATOM 2259 O VAL B 54 18.937 7.363 2.858 1.00 0.47 O ATOM 2260 CB VAL B 54 17.253 6.696 5.578 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.117 6.823 4.575 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.855 5.802 6.740 1.00 0.58 C ATOM 0 H VAL B 54 19.205 5.744 6.828 1.00 0.54 H new ATOM 0 HA VAL B 54 18.250 5.332 4.242 1.00 0.49 H new ATOM 0 HB VAL B 54 17.467 7.688 5.975 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.227 7.200 5.079 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.406 7.514 3.783 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.902 5.846 4.143 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.954 6.196 7.210 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.662 4.794 6.374 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.663 5.774 7.471 1.00 0.58 H new ATOM 2272 N GLN B 55 19.926 8.134 4.728 1.00 0.53 N ATOM 2273 CA GLN B 55 20.592 9.252 4.064 1.00 0.58 C ATOM 2274 C GLN B 55 21.541 8.761 2.969 1.00 0.58 C ATOM 2275 O GLN B 55 21.745 9.438 1.959 1.00 0.64 O ATOM 2276 CB GLN B 55 21.352 10.102 5.085 1.00 0.67 C ATOM 2277 CG GLN B 55 20.536 11.267 5.623 1.00 0.88 C ATOM 2278 CD GLN B 55 21.136 11.875 6.875 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.350 11.840 7.078 1.00 1.13 O ATOM 2280 NE2 GLN B 55 20.294 12.445 7.721 1.00 1.23 N ATOM 0 H GLN B 55 20.113 8.070 5.729 1.00 0.53 H new ATOM 0 HA GLN B 55 19.825 9.868 3.593 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.661 9.469 5.917 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.261 10.487 4.623 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.457 12.035 4.854 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.523 10.926 5.839 1.00 0.88 H new ATOM 0 HE21 GLN B 55 19.295 12.454 7.518 1.00 1.23 H new ATOM 0 HE22 GLN B 55 20.644 12.876 8.577 1.00 1.23 H new ATOM 2289 N GLN B 56 22.100 7.572 3.167 1.00 0.56 N ATOM 2290 CA GLN B 56 23.015 6.978 2.201 1.00 0.60 C ATOM 2291 C GLN B 56 22.240 6.492 0.980 1.00 0.55 C ATOM 2292 O GLN B 56 22.688 6.645 -0.158 1.00 0.62 O ATOM 2293 CB GLN B 56 23.776 5.812 2.847 1.00 0.65 C ATOM 2294 CG GLN B 56 24.780 5.137 1.922 1.00 0.80 C ATOM 2295 CD GLN B 56 26.015 5.985 1.682 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.974 5.931 2.452 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.008 6.761 0.609 1.00 1.27 N ATOM 0 H GLN B 56 21.933 6.998 3.994 1.00 0.56 H new ATOM 0 HA GLN B 56 23.735 7.732 1.882 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.300 6.179 3.729 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.057 5.068 3.190 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.078 4.181 2.352 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.301 4.922 0.967 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.193 6.777 -0.004 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.818 7.343 0.395 1.00 1.27 H new ATOM 2306 N PHE B 57 21.070 5.917 1.233 1.00 0.50 N ATOM 2307 CA PHE B 57 20.220 5.404 0.169 1.00 0.49 C ATOM 2308 C PHE B 57 19.555 6.545 -0.592 1.00 0.47 C ATOM 2309 O PHE B 57 19.416 6.487 -1.812 1.00 0.49 O ATOM 2310 CB PHE B 57 19.159 4.464 0.747 1.00 0.48 C ATOM 2311 CG PHE B 57 18.282 3.824 -0.294 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.830 3.021 -1.281 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.911 4.022 -0.285 1.00 0.53 C ATOM 2314 CE1 PHE B 57 18.030 2.430 -2.239 1.00 0.64 C ATOM 2315 CE2 PHE B 57 16.105 3.434 -1.240 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.665 2.638 -2.219 1.00 0.64 C ATOM 0 H PHE B 57 20.688 5.795 2.171 1.00 0.50 H new ATOM 0 HA PHE B 57 20.844 4.846 -0.529 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.655 3.682 1.322 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.533 5.022 1.443 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.897 2.855 -1.301 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.467 4.644 0.478 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.471 1.806 -3.002 1.00 0.64 H new ATOM 0 HE2 PHE B 57 15.038 3.597 -1.221 1.00 0.59 H new ATOM 0 HZ PHE B 57 16.037 2.179 -2.968 1.00 0.64 H new ATOM 2326 N LYS B 58 19.147 7.578 0.140 1.00 0.47 N ATOM 2327 CA LYS B 58 18.504 8.747 -0.456 1.00 0.48 C ATOM 2328 C LYS B 58 19.378 9.336 -1.558 1.00 0.49 C ATOM 2329 O LYS B 58 18.901 9.619 -2.660 1.00 0.53 O ATOM 2330 CB LYS B 58 18.224 9.812 0.610 1.00 0.53 C ATOM 2331 CG LYS B 58 17.003 9.515 1.467 1.00 0.62 C ATOM 2332 CD LYS B 58 16.869 10.512 2.610 1.00 0.70 C ATOM 2333 CE LYS B 58 16.354 11.862 2.130 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.560 12.931 3.147 1.00 1.01 N ATOM 0 H LYS B 58 19.251 7.630 1.153 1.00 0.47 H new ATOM 0 HA LYS B 58 17.557 8.426 -0.890 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.097 9.904 1.257 1.00 0.53 H new ATOM 0 HB3 LYS B 58 18.087 10.776 0.120 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.106 9.546 0.848 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.077 8.505 1.870 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.190 10.112 3.363 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.838 10.644 3.092 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.864 12.137 1.207 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.292 11.783 1.897 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.121 13.814 2.817 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.125 12.643 4.046 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.579 13.083 3.289 1.00 1.01 H new ATOM 2348 N GLU B 59 20.663 9.484 -1.258 1.00 0.51 N ATOM 2349 CA GLU B 59 21.621 10.034 -2.210 1.00 0.56 C ATOM 2350 C GLU B 59 21.708 9.177 -3.469 1.00 0.57 C ATOM 2351 O GLU B 59 21.912 9.692 -4.567 1.00 0.65 O ATOM 2352 CB GLU B 59 23.001 10.141 -1.565 1.00 0.63 C ATOM 2353 CG GLU B 59 23.153 11.332 -0.640 1.00 1.06 C ATOM 2354 CD GLU B 59 24.603 11.650 -0.357 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.340 11.963 -1.317 1.00 1.30 O ATOM 2356 OE2 GLU B 59 25.016 11.574 0.821 1.00 1.14 O ATOM 0 H GLU B 59 21.068 9.229 -0.357 1.00 0.51 H new ATOM 0 HA GLU B 59 21.274 11.027 -2.496 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.201 9.229 -1.003 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.755 10.204 -2.350 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.672 12.202 -1.088 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.637 11.130 0.298 1.00 1.06 H new ATOM 2363 N ALA B 60 21.544 7.870 -3.303 1.00 0.55 N ATOM 2364 CA ALA B 60 21.609 6.945 -4.424 1.00 0.57 C ATOM 2365 C ALA B 60 20.428 7.147 -5.365 1.00 0.56 C ATOM 2366 O ALA B 60 20.577 7.084 -6.587 1.00 0.59 O ATOM 2367 CB ALA B 60 21.650 5.509 -3.929 1.00 0.59 C ATOM 0 H ALA B 60 21.365 7.428 -2.401 1.00 0.55 H new ATOM 0 HA ALA B 60 22.526 7.149 -4.977 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.698 4.832 -4.782 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.529 5.366 -3.301 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.752 5.298 -3.349 1.00 0.59 H new ATOM 2373 N ILE B 61 19.257 7.404 -4.794 1.00 0.52 N ATOM 2374 CA ILE B 61 18.054 7.619 -5.585 1.00 0.52 C ATOM 2375 C ILE B 61 18.186 8.884 -6.427 1.00 0.55 C ATOM 2376 O ILE B 61 17.887 8.884 -7.617 1.00 0.59 O ATOM 2377 CB ILE B 61 16.794 7.737 -4.700 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.761 6.620 -3.652 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.542 7.685 -5.567 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.634 6.759 -2.649 1.00 0.56 C ATOM 0 H ILE B 61 19.116 7.468 -3.786 1.00 0.52 H new ATOM 0 HA ILE B 61 17.943 6.749 -6.233 1.00 0.52 H new ATOM 0 HB ILE B 61 16.825 8.694 -4.178 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.667 5.660 -4.160 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.711 6.607 -3.118 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.658 7.769 -4.935 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.558 8.510 -6.279 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.513 6.739 -6.108 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.675 5.933 -1.939 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.738 7.703 -2.114 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.678 6.742 -3.172 1.00 0.56 H new ATOM 2392 N SER B 62 18.653 9.955 -5.810 1.00 0.55 N ATOM 2393 CA SER B 62 18.815 11.221 -6.507 1.00 0.59 C ATOM 2394 C SER B 62 19.920 11.138 -7.560 1.00 0.63 C ATOM 2395 O SER B 62 19.858 11.798 -8.597 1.00 0.70 O ATOM 2396 CB SER B 62 19.139 12.314 -5.496 1.00 0.61 C ATOM 2397 OG SER B 62 18.497 12.045 -4.262 1.00 0.70 O ATOM 0 H SER B 62 18.927 9.974 -4.828 1.00 0.55 H new ATOM 0 HA SER B 62 17.883 11.456 -7.021 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.217 12.374 -5.348 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.815 13.282 -5.879 1.00 0.61 H new ATOM 0 HG SER B 62 17.534 12.204 -4.353 1.00 0.70 H new ATOM 2403 N LYS B 63 20.909 10.296 -7.300 1.00 0.63 N ATOM 2404 CA LYS B 63 22.043 10.141 -8.200 1.00 0.69 C ATOM 2405 C LYS B 63 21.733 9.215 -9.382 1.00 0.71 C ATOM 2406 O LYS B 63 22.115 9.505 -10.519 1.00 0.82 O ATOM 2407 CB LYS B 63 23.247 9.599 -7.423 1.00 0.72 C ATOM 2408 CG LYS B 63 24.558 9.664 -8.189 1.00 0.84 C ATOM 2409 CD LYS B 63 25.034 11.096 -8.352 1.00 1.00 C ATOM 2410 CE LYS B 63 26.358 11.157 -9.094 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.595 12.494 -9.695 1.00 1.28 N ATOM 0 H LYS B 63 20.949 9.706 -6.469 1.00 0.63 H new ATOM 0 HA LYS B 63 22.269 11.125 -8.610 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.352 10.163 -6.496 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.051 8.563 -7.146 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.317 9.084 -7.664 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.431 9.207 -9.171 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.284 11.671 -8.895 1.00 1.00 H new ATOM 0 HD3 LYS B 63 25.143 11.559 -7.371 1.00 1.00 H new ATOM 0 HE2 LYS B 63 27.170 10.919 -8.407 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.370 10.399 -9.878 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.508 12.494 -10.192 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 25.834 12.711 -10.369 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.609 13.214 -8.945 1.00 1.28 H new ATOM 2425 N ARG B 64 21.040 8.113 -9.119 1.00 0.67 N ATOM 2426 CA ARG B 64 20.737 7.133 -10.164 1.00 0.70 C ATOM 2427 C ARG B 64 19.380 7.358 -10.840 1.00 0.70 C ATOM 2428 O ARG B 64 19.263 7.208 -12.053 1.00 0.75 O ATOM 2429 CB ARG B 64 20.784 5.718 -9.585 1.00 0.70 C ATOM 2430 CG ARG B 64 22.163 5.300 -9.093 1.00 0.72 C ATOM 2431 CD ARG B 64 23.108 4.989 -10.246 1.00 0.81 C ATOM 2432 NE ARG B 64 24.230 5.927 -10.314 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.398 5.749 -9.689 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.605 4.667 -8.948 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.362 6.655 -9.812 1.00 1.07 N ATOM 0 H ARG B 64 20.677 7.873 -8.196 1.00 0.67 H new ATOM 0 HA ARG B 64 21.500 7.261 -10.931 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.078 5.651 -8.758 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.451 5.013 -10.347 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.587 6.096 -8.481 1.00 0.72 H new ATOM 0 HG3 ARG B 64 22.069 4.422 -8.454 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.492 3.975 -10.135 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.555 5.019 -11.185 1.00 0.81 H new ATOM 0 HE ARG B 64 24.113 6.771 -10.875 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.870 3.966 -8.853 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.499 4.537 -8.474 1.00 1.05 H new ATOM 0 HH21 ARG B 64 26.211 7.486 -10.383 1.00 1.07 H new ATOM 0 HH22 ARG B 64 27.253 6.519 -9.335 1.00 1.07 H new ATOM 2449 N PHE B 65 18.360 7.708 -10.069 1.00 0.67 N ATOM 2450 CA PHE B 65 17.023 7.906 -10.632 1.00 0.68 C ATOM 2451 C PHE B 65 16.829 9.325 -11.158 1.00 0.70 C ATOM 2452 O PHE B 65 16.049 9.534 -12.084 1.00 0.75 O ATOM 2453 CB PHE B 65 15.947 7.580 -9.588 1.00 0.66 C ATOM 2454 CG PHE B 65 14.846 6.699 -10.104 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.239 6.966 -11.320 1.00 0.82 C ATOM 2456 CD2 PHE B 65 14.419 5.606 -9.371 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.227 6.161 -11.796 1.00 0.97 C ATOM 2458 CE2 PHE B 65 13.405 4.793 -9.842 1.00 1.02 C ATOM 2459 CZ PHE B 65 12.809 5.071 -11.058 1.00 1.00 C ATOM 0 H PHE B 65 18.426 7.860 -9.063 1.00 0.67 H new ATOM 0 HA PHE B 65 16.924 7.224 -11.476 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.419 7.093 -8.734 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.513 8.512 -9.224 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.563 7.816 -11.902 1.00 0.82 H new ATOM 0 HD2 PHE B 65 14.883 5.386 -8.421 1.00 0.88 H new ATOM 0 HE1 PHE B 65 12.761 6.382 -12.745 1.00 0.97 H new ATOM 0 HE2 PHE B 65 13.079 3.943 -9.261 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.018 4.437 -11.430 1.00 1.00 H new ATOM 2469 N LYS B 66 17.538 10.287 -10.562 1.00 0.68 N ATOM 2470 CA LYS B 66 17.444 11.698 -10.959 1.00 0.71 C ATOM 2471 C LYS B 66 16.079 12.282 -10.592 1.00 0.70 C ATOM 2472 O LYS B 66 15.083 12.041 -11.277 1.00 0.83 O ATOM 2473 CB LYS B 66 17.693 11.876 -12.466 1.00 0.79 C ATOM 2474 CG LYS B 66 19.135 11.668 -12.889 1.00 0.93 C ATOM 2475 CD LYS B 66 19.241 11.339 -14.374 1.00 1.05 C ATOM 2476 CE LYS B 66 18.498 12.350 -15.237 1.00 1.07 C ATOM 2477 NZ LYS B 66 18.585 12.016 -16.684 1.00 1.27 N ATOM 0 H LYS B 66 18.189 10.114 -9.796 1.00 0.68 H new ATOM 0 HA LYS B 66 18.219 12.236 -10.413 1.00 0.71 H new ATOM 0 HB2 LYS B 66 17.062 11.175 -13.012 1.00 0.79 H new ATOM 0 HB3 LYS B 66 17.382 12.879 -12.758 1.00 0.79 H new ATOM 0 HG2 LYS B 66 19.712 12.567 -12.673 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.574 10.860 -12.304 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.291 11.315 -14.666 1.00 1.05 H new ATOM 0 HD3 LYS B 66 18.838 10.343 -14.554 1.00 1.05 H new ATOM 0 HE2 LYS B 66 17.451 12.385 -14.935 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.912 13.344 -15.069 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 18.067 12.728 -17.237 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 19.582 12.008 -16.979 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 18.167 11.078 -16.850 1.00 1.27 H new ATOM 2491 N SER B 67 16.039 13.053 -9.512 1.00 0.66 N ATOM 2492 CA SER B 67 14.799 13.666 -9.060 1.00 0.68 C ATOM 2493 C SER B 67 15.091 14.751 -8.021 1.00 0.69 C ATOM 2494 O SER B 67 15.288 15.919 -8.368 1.00 0.90 O ATOM 2495 CB SER B 67 13.849 12.597 -8.489 1.00 0.68 C ATOM 2496 OG SER B 67 12.540 13.109 -8.296 1.00 1.34 O ATOM 0 H SER B 67 16.852 13.268 -8.934 1.00 0.66 H new ATOM 0 HA SER B 67 14.308 14.135 -9.913 1.00 0.68 H new ATOM 0 HB2 SER B 67 13.810 11.745 -9.167 1.00 0.68 H new ATOM 0 HB3 SER B 67 14.241 12.231 -7.540 1.00 0.68 H new ATOM 0 HG SER B 67 11.963 12.404 -7.934 1.00 1.34 H new ATOM 2502 N GLN B 68 15.134 14.359 -6.754 1.00 0.59 N ATOM 2503 CA GLN B 68 15.408 15.280 -5.660 1.00 0.59 C ATOM 2504 C GLN B 68 16.029 14.523 -4.498 1.00 0.54 C ATOM 2505 O GLN B 68 16.145 13.299 -4.548 1.00 0.52 O ATOM 2506 CB GLN B 68 14.125 15.991 -5.218 1.00 0.64 C ATOM 2507 CG GLN B 68 13.957 17.365 -5.847 1.00 0.79 C ATOM 2508 CD GLN B 68 12.703 18.080 -5.396 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.668 17.459 -5.160 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.790 19.392 -5.264 1.00 1.09 N ATOM 0 H GLN B 68 14.980 13.395 -6.457 1.00 0.59 H new ATOM 0 HA GLN B 68 16.111 16.039 -6.004 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.266 15.372 -5.477 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.129 16.093 -4.133 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.824 17.978 -5.602 1.00 0.79 H new ATOM 0 HG3 GLN B 68 13.937 17.260 -6.932 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.668 19.868 -5.470 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.979 19.928 -4.956 1.00 1.09 H new ATOM 2519 N THR B 69 16.435 15.235 -3.459 1.00 0.56 N ATOM 2520 CA THR B 69 17.056 14.594 -2.309 1.00 0.56 C ATOM 2521 C THR B 69 16.363 14.955 -0.998 1.00 0.54 C ATOM 2522 O THR B 69 15.817 14.091 -0.315 1.00 0.55 O ATOM 2523 CB THR B 69 18.545 14.973 -2.214 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.095 15.092 -3.532 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.326 13.929 -1.426 1.00 0.70 C ATOM 0 H THR B 69 16.347 16.249 -3.387 1.00 0.56 H new ATOM 0 HA THR B 69 16.955 13.519 -2.461 1.00 0.56 H new ATOM 0 HB THR B 69 18.625 15.927 -1.692 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.042 15.335 -3.470 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.375 14.222 -1.374 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.920 13.855 -0.417 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.243 12.962 -1.922 1.00 0.70 H new ATOM 2533 N ASP B 70 16.375 16.234 -0.656 1.00 0.56 N ATOM 2534 CA ASP B 70 15.771 16.694 0.588 1.00 0.58 C ATOM 2535 C ASP B 70 14.252 16.595 0.543 1.00 0.55 C ATOM 2536 O ASP B 70 13.616 16.180 1.512 1.00 0.57 O ATOM 2537 CB ASP B 70 16.187 18.135 0.880 1.00 0.66 C ATOM 2538 CG ASP B 70 15.597 18.656 2.177 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.118 18.299 3.258 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.616 19.423 2.123 1.00 0.95 O ATOM 0 H ASP B 70 16.795 16.972 -1.221 1.00 0.56 H new ATOM 0 HA ASP B 70 16.130 16.045 1.387 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.274 18.193 0.929 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.870 18.776 0.057 1.00 0.66 H new ATOM 2545 N GLN B 71 13.671 16.967 -0.588 1.00 0.56 N ATOM 2546 CA GLN B 71 12.223 16.927 -0.743 1.00 0.58 C ATOM 2547 C GLN B 71 11.737 15.525 -1.091 1.00 0.54 C ATOM 2548 O GLN B 71 10.538 15.255 -1.088 1.00 0.66 O ATOM 2549 CB GLN B 71 11.776 17.918 -1.816 1.00 0.65 C ATOM 2550 CG GLN B 71 10.557 18.735 -1.419 1.00 0.83 C ATOM 2551 CD GLN B 71 10.226 19.818 -2.423 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.436 19.613 -3.344 1.00 1.13 O ATOM 2553 NE2 GLN B 71 10.834 20.979 -2.259 1.00 1.18 N ATOM 0 H GLN B 71 14.177 17.299 -1.409 1.00 0.56 H new ATOM 0 HA GLN B 71 11.780 17.209 0.212 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.600 18.595 -2.039 1.00 0.65 H new ATOM 0 HB3 GLN B 71 11.554 17.372 -2.733 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.699 18.071 -1.311 1.00 0.83 H new ATOM 0 HG3 GLN B 71 10.732 19.190 -0.444 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.482 21.110 -1.483 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.655 21.745 -2.909 1.00 1.18 H new ATOM 2562 N LEU B 72 12.671 14.633 -1.377 1.00 0.51 N ATOM 2563 CA LEU B 72 12.333 13.263 -1.729 1.00 0.49 C ATOM 2564 C LEU B 72 12.046 12.454 -0.470 1.00 0.43 C ATOM 2565 O LEU B 72 12.899 12.329 0.409 1.00 0.51 O ATOM 2566 CB LEU B 72 13.471 12.617 -2.520 1.00 0.57 C ATOM 2567 CG LEU B 72 13.028 11.649 -3.616 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.439 12.411 -4.791 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.195 10.786 -4.069 1.00 1.00 C ATOM 0 H LEU B 72 13.671 14.833 -1.372 1.00 0.51 H new ATOM 0 HA LEU B 72 11.440 13.276 -2.353 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.071 13.406 -2.974 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.119 12.083 -1.825 1.00 0.57 H new ATOM 0 HG LEU B 72 12.257 10.995 -3.208 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.129 11.707 -5.563 1.00 0.88 H new ATOM 0 HD12 LEU B 72 11.576 12.986 -4.456 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.190 13.088 -5.199 1.00 0.88 H new ATOM 0 HD21 LEU B 72 13.861 10.103 -4.850 1.00 1.00 H new ATOM 0 HD22 LEU B 72 14.989 11.423 -4.460 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.573 10.213 -3.223 1.00 1.00 H new ATOM 2581 N VAL B 73 10.837 11.918 -0.383 1.00 0.37 N ATOM 2582 CA VAL B 73 10.434 11.133 0.775 1.00 0.35 C ATOM 2583 C VAL B 73 9.863 9.784 0.350 1.00 0.30 C ATOM 2584 O VAL B 73 9.160 9.684 -0.658 1.00 0.31 O ATOM 2585 CB VAL B 73 9.366 11.865 1.624 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.284 11.264 3.019 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.650 13.357 1.700 1.00 0.55 C ATOM 0 H VAL B 73 10.118 12.012 -1.100 1.00 0.37 H new ATOM 0 HA VAL B 73 11.332 10.987 1.375 1.00 0.35 H new ATOM 0 HB VAL B 73 8.402 11.732 1.133 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.528 11.793 3.599 1.00 0.46 H new ATOM 0 HG12 VAL B 73 9.014 10.210 2.946 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.251 11.358 3.513 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.883 13.843 2.303 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.627 13.519 2.156 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.644 13.780 0.695 1.00 0.55 H new ATOM 2597 N LEU B 74 10.180 8.753 1.120 1.00 0.30 N ATOM 2598 CA LEU B 74 9.681 7.419 0.852 1.00 0.29 C ATOM 2599 C LEU B 74 8.398 7.209 1.642 1.00 0.28 C ATOM 2600 O LEU B 74 8.145 7.907 2.625 1.00 0.36 O ATOM 2601 CB LEU B 74 10.717 6.355 1.232 1.00 0.33 C ATOM 2602 CG LEU B 74 11.774 6.035 0.164 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.118 5.717 -1.169 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.761 7.183 0.014 1.00 0.64 C ATOM 0 H LEU B 74 10.784 8.819 1.939 1.00 0.30 H new ATOM 0 HA LEU B 74 9.483 7.320 -0.215 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.230 6.682 2.136 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.189 5.434 1.480 1.00 0.33 H new ATOM 0 HG LEU B 74 12.325 5.154 0.492 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.887 5.494 -1.909 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.462 4.854 -1.055 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.533 6.575 -1.501 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.499 6.931 -0.748 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.227 8.086 -0.282 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.266 7.356 0.965 1.00 0.64 H new ATOM 2616 N ILE B 75 7.586 6.265 1.213 1.00 0.29 N ATOM 2617 CA ILE B 75 6.328 5.989 1.888 1.00 0.33 C ATOM 2618 C ILE B 75 6.323 4.580 2.465 1.00 0.31 C ATOM 2619 O ILE B 75 6.760 3.635 1.811 1.00 0.36 O ATOM 2620 CB ILE B 75 5.128 6.153 0.927 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.135 7.546 0.283 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.813 5.908 1.652 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.268 8.678 1.273 1.00 0.74 C ATOM 0 H ILE B 75 7.771 5.675 0.402 1.00 0.29 H new ATOM 0 HA ILE B 75 6.230 6.711 2.699 1.00 0.33 H new ATOM 0 HB ILE B 75 5.225 5.408 0.138 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.958 7.602 -0.430 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.213 7.678 -0.283 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.985 6.029 0.954 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.803 4.895 2.055 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.708 6.624 2.467 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.265 9.629 0.741 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.432 8.651 1.972 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.203 8.573 1.823 1.00 0.74 H new ATOM 2635 N PHE B 76 5.838 4.456 3.693 1.00 0.31 N ATOM 2636 CA PHE B 76 5.760 3.170 4.368 1.00 0.35 C ATOM 2637 C PHE B 76 4.297 2.819 4.662 1.00 0.31 C ATOM 2638 O PHE B 76 3.933 2.498 5.795 1.00 0.40 O ATOM 2639 CB PHE B 76 6.598 3.200 5.656 1.00 0.48 C ATOM 2640 CG PHE B 76 6.685 1.875 6.365 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.924 0.702 5.664 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.518 1.809 7.740 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.995 -0.511 6.323 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.587 0.598 8.401 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.824 -0.562 7.694 1.00 0.78 C ATOM 0 H PHE B 76 5.490 5.239 4.246 1.00 0.31 H new ATOM 0 HA PHE B 76 6.168 2.395 3.719 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.606 3.536 5.413 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.172 3.937 6.337 1.00 0.48 H new ATOM 0 HD1 PHE B 76 7.056 0.737 4.593 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.332 2.714 8.300 1.00 0.62 H new ATOM 0 HE1 PHE B 76 7.184 -1.418 5.768 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.455 0.560 9.472 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.876 -1.509 8.211 1.00 0.78 H new ATOM 2655 N ALA B 77 3.466 2.909 3.621 1.00 0.40 N ATOM 2656 CA ALA B 77 2.039 2.599 3.712 1.00 0.48 C ATOM 2657 C ALA B 77 1.343 3.416 4.798 1.00 0.41 C ATOM 2658 O ALA B 77 1.167 2.957 5.929 1.00 0.44 O ATOM 2659 CB ALA B 77 1.823 1.104 3.937 1.00 0.62 C ATOM 0 H ALA B 77 3.765 3.199 2.690 1.00 0.40 H new ATOM 0 HA ALA B 77 1.587 2.876 2.760 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.755 0.896 4.002 1.00 0.62 H new ATOM 0 HB2 ALA B 77 2.252 0.545 3.105 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.308 0.802 4.865 1.00 0.62 H new ATOM 2665 N GLY B 78 0.944 4.632 4.446 1.00 0.46 N ATOM 2666 CA GLY B 78 0.269 5.495 5.398 1.00 0.54 C ATOM 2667 C GLY B 78 1.209 6.122 6.406 1.00 0.50 C ATOM 2668 O GLY B 78 0.768 6.724 7.384 1.00 0.63 O ATOM 0 H GLY B 78 1.075 5.036 3.519 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.252 6.285 4.857 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.489 4.918 5.928 1.00 0.54 H new ATOM 2672 N LYS B 79 2.503 5.987 6.171 1.00 0.42 N ATOM 2673 CA LYS B 79 3.500 6.537 7.072 1.00 0.43 C ATOM 2674 C LYS B 79 4.652 7.149 6.289 1.00 0.39 C ATOM 2675 O LYS B 79 5.019 6.650 5.221 1.00 0.43 O ATOM 2676 CB LYS B 79 4.027 5.441 7.998 1.00 0.50 C ATOM 2677 CG LYS B 79 3.763 5.701 9.469 1.00 0.72 C ATOM 2678 CD LYS B 79 2.428 6.404 9.675 1.00 1.16 C ATOM 2679 CE LYS B 79 1.989 6.356 11.128 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.688 7.046 11.344 1.00 2.02 N ATOM 0 H LYS B 79 2.888 5.500 5.362 1.00 0.42 H new ATOM 0 HA LYS B 79 3.032 7.319 7.669 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.570 4.492 7.719 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.101 5.335 7.845 1.00 0.50 H new ATOM 0 HG2 LYS B 79 3.767 4.757 10.014 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.566 6.312 9.883 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.509 7.442 9.353 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.669 5.935 9.049 1.00 1.16 H new ATOM 0 HE2 LYS B 79 1.905 5.317 11.446 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.753 6.820 11.752 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.843 7.914 11.896 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.268 7.291 10.425 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.043 6.416 11.862 1.00 2.02 H new ATOM 2694 N ILE B 80 5.214 8.231 6.815 1.00 0.37 N ATOM 2695 CA ILE B 80 6.333 8.904 6.173 1.00 0.39 C ATOM 2696 C ILE B 80 7.628 8.153 6.447 1.00 0.39 C ATOM 2697 O ILE B 80 7.941 7.833 7.594 1.00 0.61 O ATOM 2698 CB ILE B 80 6.484 10.366 6.649 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.362 10.460 8.174 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.448 11.253 5.975 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.813 11.788 8.745 1.00 1.18 C ATOM 0 H ILE B 80 4.910 8.661 7.688 1.00 0.37 H new ATOM 0 HA ILE B 80 6.126 8.915 5.103 1.00 0.39 H new ATOM 0 HB ILE B 80 7.477 10.715 6.367 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.323 10.288 8.457 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.952 9.662 8.626 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.568 12.280 6.321 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.585 11.216 4.894 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.448 10.900 6.226 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.696 11.777 9.829 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.861 11.955 8.495 1.00 1.18 H new ATOM 0 HD13 ILE B 80 6.207 12.590 8.323 1.00 1.18 H new ATOM 2713 N LEU B 81 8.368 7.858 5.395 1.00 0.30 N ATOM 2714 CA LEU B 81 9.624 7.145 5.523 1.00 0.34 C ATOM 2715 C LEU B 81 10.771 8.032 5.052 1.00 0.36 C ATOM 2716 O LEU B 81 10.929 8.289 3.859 1.00 0.46 O ATOM 2717 CB LEU B 81 9.572 5.844 4.717 1.00 0.44 C ATOM 2718 CG LEU B 81 10.642 4.808 5.057 1.00 0.57 C ATOM 2719 CD1 LEU B 81 10.595 4.443 6.536 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.455 3.568 4.198 1.00 0.78 C ATOM 0 H LEU B 81 8.119 8.103 4.437 1.00 0.30 H new ATOM 0 HA LEU B 81 9.792 6.891 6.570 1.00 0.34 H new ATOM 0 HB2 LEU B 81 8.593 5.388 4.862 1.00 0.44 H new ATOM 0 HB3 LEU B 81 9.655 6.091 3.659 1.00 0.44 H new ATOM 0 HG LEU B 81 11.621 5.240 4.848 1.00 0.57 H new ATOM 0 HD11 LEU B 81 11.366 3.704 6.753 1.00 1.01 H new ATOM 0 HD12 LEU B 81 10.769 5.336 7.137 1.00 1.01 H new ATOM 0 HD13 LEU B 81 9.616 4.028 6.777 1.00 1.01 H new ATOM 0 HD21 LEU B 81 11.222 2.834 4.446 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.470 3.141 4.385 1.00 0.78 H new ATOM 0 HD23 LEU B 81 10.539 3.838 3.145 1.00 0.78 H new ATOM 2732 N LYS B 82 11.552 8.520 5.999 1.00 0.39 N ATOM 2733 CA LYS B 82 12.675 9.389 5.691 1.00 0.47 C ATOM 2734 C LYS B 82 13.857 9.047 6.588 1.00 0.49 C ATOM 2735 O LYS B 82 13.838 8.037 7.286 1.00 0.63 O ATOM 2736 CB LYS B 82 12.272 10.859 5.868 1.00 0.54 C ATOM 2737 CG LYS B 82 12.804 11.782 4.775 1.00 0.94 C ATOM 2738 CD LYS B 82 12.209 13.177 4.890 1.00 1.01 C ATOM 2739 CE LYS B 82 12.807 14.132 3.864 1.00 1.22 C ATOM 2740 NZ LYS B 82 12.244 15.505 3.982 1.00 1.35 N ATOM 0 H LYS B 82 11.429 8.328 6.993 1.00 0.39 H new ATOM 0 HA LYS B 82 12.969 9.236 4.653 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.184 10.927 5.890 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.633 11.211 6.834 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.890 11.841 4.843 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.568 11.364 3.796 1.00 0.94 H new ATOM 0 HD2 LYS B 82 11.129 13.124 4.752 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.383 13.565 5.893 1.00 1.01 H new ATOM 0 HE2 LYS B 82 13.889 14.172 3.994 1.00 1.22 H new ATOM 0 HE3 LYS B 82 12.620 13.749 2.861 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 12.574 16.085 3.185 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 11.205 15.457 3.968 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 12.559 15.934 4.876 1.00 1.35 H new ATOM 2754 N ASP B 83 14.868 9.904 6.590 1.00 0.60 N ATOM 2755 CA ASP B 83 16.065 9.689 7.395 1.00 0.68 C ATOM 2756 C ASP B 83 15.839 10.102 8.849 1.00 0.68 C ATOM 2757 O ASP B 83 16.778 10.445 9.568 1.00 0.89 O ATOM 2758 CB ASP B 83 17.252 10.451 6.795 1.00 0.88 C ATOM 2759 CG ASP B 83 16.950 11.915 6.527 1.00 1.20 C ATOM 2760 OD1 ASP B 83 16.070 12.207 5.682 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.601 12.782 7.147 1.00 1.52 O ATOM 0 H ASP B 83 14.884 10.762 6.039 1.00 0.60 H new ATOM 0 HA ASP B 83 16.291 8.623 7.386 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.101 10.381 7.474 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.549 9.971 5.862 1.00 0.88 H new ATOM 2766 N GLN B 84 14.586 10.058 9.278 1.00 0.60 N ATOM 2767 CA GLN B 84 14.227 10.405 10.644 1.00 0.67 C ATOM 2768 C GLN B 84 14.222 9.153 11.512 1.00 0.61 C ATOM 2769 O GLN B 84 14.381 9.225 12.733 1.00 0.81 O ATOM 2770 CB GLN B 84 12.861 11.097 10.680 1.00 0.77 C ATOM 2771 CG GLN B 84 12.861 12.453 9.993 1.00 0.93 C ATOM 2772 CD GLN B 84 11.485 13.084 9.936 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.652 12.867 10.811 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.240 13.876 8.903 1.00 1.28 N ATOM 0 H GLN B 84 13.796 9.783 8.694 1.00 0.60 H new ATOM 0 HA GLN B 84 14.968 11.100 11.039 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.122 10.454 10.202 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.551 11.222 11.717 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.541 13.122 10.521 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.246 12.341 8.980 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.960 14.030 8.197 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.332 14.331 8.814 1.00 1.28 H new ATOM 2783 N ASP B 85 14.038 8.010 10.865 1.00 0.52 N ATOM 2784 CA ASP B 85 14.044 6.722 11.541 1.00 0.51 C ATOM 2785 C ASP B 85 14.876 5.741 10.723 1.00 0.44 C ATOM 2786 O ASP B 85 15.338 6.082 9.632 1.00 0.48 O ATOM 2787 CB ASP B 85 12.617 6.195 11.775 1.00 0.61 C ATOM 2788 CG ASP B 85 11.949 5.639 10.532 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.489 6.438 9.686 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.831 4.395 10.428 1.00 0.86 O ATOM 0 H ASP B 85 13.881 7.951 9.859 1.00 0.52 H new ATOM 0 HA ASP B 85 14.492 6.839 12.528 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.650 5.415 12.536 1.00 0.61 H new ATOM 0 HB3 ASP B 85 12.004 7.003 12.173 1.00 0.61 H new ATOM 2795 N THR B 86 15.082 4.545 11.244 1.00 0.49 N ATOM 2796 CA THR B 86 15.899 3.555 10.556 1.00 0.47 C ATOM 2797 C THR B 86 15.079 2.723 9.569 1.00 0.42 C ATOM 2798 O THR B 86 14.174 1.980 9.956 1.00 0.41 O ATOM 2799 CB THR B 86 16.601 2.635 11.570 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.759 3.322 12.821 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.967 2.215 11.054 1.00 0.67 C ATOM 0 H THR B 86 14.698 4.234 12.136 1.00 0.49 H new ATOM 0 HA THR B 86 16.652 4.098 9.985 1.00 0.47 H new ATOM 0 HB THR B 86 15.987 1.746 11.712 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.205 2.732 13.464 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.448 1.565 11.785 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.851 1.679 10.112 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.583 3.100 10.894 1.00 0.67 H new ATOM 2809 N LEU B 87 15.431 2.841 8.291 1.00 0.43 N ATOM 2810 CA LEU B 87 14.747 2.132 7.213 1.00 0.42 C ATOM 2811 C LEU B 87 14.803 0.619 7.407 1.00 0.42 C ATOM 2812 O LEU B 87 13.799 -0.073 7.257 1.00 0.44 O ATOM 2813 CB LEU B 87 15.388 2.498 5.874 1.00 0.51 C ATOM 2814 CG LEU B 87 14.561 2.170 4.633 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.951 3.437 4.058 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.423 1.472 3.593 1.00 0.66 C ATOM 0 H LEU B 87 16.200 3.432 7.973 1.00 0.43 H new ATOM 0 HA LEU B 87 13.700 2.434 7.225 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.601 3.567 5.874 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.345 1.982 5.797 1.00 0.51 H new ATOM 0 HG LEU B 87 13.753 1.496 4.918 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.364 3.189 3.174 1.00 0.61 H new ATOM 0 HD12 LEU B 87 13.306 3.901 4.804 1.00 0.61 H new ATOM 0 HD13 LEU B 87 14.745 4.131 3.783 1.00 0.61 H new ATOM 0 HD21 LEU B 87 14.820 1.244 2.714 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.249 2.124 3.308 1.00 0.66 H new ATOM 0 HD23 LEU B 87 15.819 0.546 4.011 1.00 0.66 H new ATOM 2828 N ILE B 88 15.982 0.113 7.746 1.00 0.47 N ATOM 2829 CA ILE B 88 16.180 -1.322 7.946 1.00 0.53 C ATOM 2830 C ILE B 88 15.476 -1.837 9.200 1.00 0.54 C ATOM 2831 O ILE B 88 15.330 -3.044 9.384 1.00 0.66 O ATOM 2832 CB ILE B 88 17.681 -1.672 8.050 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.362 -0.778 9.094 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.351 -1.523 6.693 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.692 -1.304 9.577 1.00 0.91 C ATOM 0 H ILE B 88 16.821 0.676 7.889 1.00 0.47 H new ATOM 0 HA ILE B 88 15.744 -1.807 7.073 1.00 0.53 H new ATOM 0 HB ILE B 88 17.781 -2.709 8.369 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.508 0.215 8.668 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.696 -0.663 9.949 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.408 -1.773 6.780 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.877 -2.195 5.978 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.248 -0.494 6.347 1.00 0.67 H new ATOM 0 HD11 ILE B 88 20.110 -0.617 10.313 1.00 0.91 H new ATOM 0 HD12 ILE B 88 19.552 -2.283 10.034 1.00 0.91 H new ATOM 0 HD13 ILE B 88 20.376 -1.392 8.733 1.00 0.91 H new ATOM 2847 N GLN B 89 15.029 -0.929 10.054 1.00 0.48 N ATOM 2848 CA GLN B 89 14.371 -1.319 11.290 1.00 0.53 C ATOM 2849 C GLN B 89 12.855 -1.377 11.127 1.00 0.52 C ATOM 2850 O GLN B 89 12.166 -1.997 11.937 1.00 0.71 O ATOM 2851 CB GLN B 89 14.745 -0.340 12.410 1.00 0.57 C ATOM 2852 CG GLN B 89 14.287 -0.780 13.792 1.00 0.69 C ATOM 2853 CD GLN B 89 14.891 -2.106 14.221 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.962 -2.147 14.828 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.209 -3.197 13.911 1.00 0.89 N ATOM 0 H GLN B 89 15.110 0.078 9.914 1.00 0.48 H new ATOM 0 HA GLN B 89 14.713 -2.320 11.552 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.827 -0.212 12.421 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.311 0.635 12.187 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.554 -0.013 14.519 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.200 -0.862 13.800 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.325 -3.120 13.407 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.567 -4.115 14.176 1.00 0.89 H new ATOM 2864 N HIS B 90 12.329 -0.754 10.078 1.00 0.49 N ATOM 2865 CA HIS B 90 10.882 -0.748 9.872 1.00 0.51 C ATOM 2866 C HIS B 90 10.506 -0.673 8.397 1.00 0.50 C ATOM 2867 O HIS B 90 9.793 -1.542 7.897 1.00 0.75 O ATOM 2868 CB HIS B 90 10.258 0.432 10.615 1.00 0.59 C ATOM 2869 CG HIS B 90 9.149 0.049 11.546 1.00 0.72 C ATOM 2870 ND1 HIS B 90 8.181 0.939 11.958 1.00 0.96 N ATOM 2871 CD2 HIS B 90 8.864 -1.129 12.155 1.00 0.92 C ATOM 2872 CE1 HIS B 90 7.352 0.328 12.786 1.00 1.14 C ATOM 2873 NE2 HIS B 90 7.743 -0.925 12.918 1.00 1.10 N ATOM 0 H HIS B 90 12.868 -0.256 9.370 1.00 0.49 H new ATOM 0 HA HIS B 90 10.497 -1.689 10.264 1.00 0.51 H new ATOM 0 HB2 HIS B 90 11.036 0.942 11.183 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.876 1.146 9.886 1.00 0.59 H new ATOM 0 HD2 HIS B 90 9.415 -2.053 12.057 1.00 0.92 H new ATOM 0 HE1 HIS B 90 6.499 0.778 13.272 1.00 1.14 H new ATOM 0 HE2 HIS B 90 7.285 -1.630 13.496 1.00 1.10 H new ATOM 2882 N GLY B 91 10.984 0.375 7.722 1.00 0.45 N ATOM 2883 CA GLY B 91 10.678 0.587 6.311 1.00 0.46 C ATOM 2884 C GLY B 91 10.849 -0.651 5.452 1.00 0.45 C ATOM 2885 O GLY B 91 9.893 -1.127 4.842 1.00 0.64 O ATOM 0 H GLY B 91 11.585 1.089 8.133 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.651 0.940 6.221 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.322 1.377 5.925 1.00 0.46 H new ATOM 2889 N ILE B 92 12.059 -1.176 5.398 1.00 0.38 N ATOM 2890 CA ILE B 92 12.328 -2.360 4.603 1.00 0.39 C ATOM 2891 C ILE B 92 12.820 -3.485 5.499 1.00 0.41 C ATOM 2892 O ILE B 92 13.935 -3.442 6.015 1.00 0.46 O ATOM 2893 CB ILE B 92 13.364 -2.089 3.490 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.894 -0.941 2.590 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.612 -3.348 2.664 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.635 -1.249 1.804 1.00 0.43 C ATOM 0 H ILE B 92 12.869 -0.803 5.893 1.00 0.38 H new ATOM 0 HA ILE B 92 11.394 -2.650 4.122 1.00 0.39 H new ATOM 0 HB ILE B 92 14.304 -1.799 3.960 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.719 -0.059 3.206 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.693 -0.689 1.893 1.00 0.40 H new ATOM 0 HG21 ILE B 92 14.345 -3.134 1.886 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.990 -4.139 3.311 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.678 -3.671 2.204 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.368 -0.387 1.192 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.810 -2.111 1.160 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.821 -1.470 2.494 1.00 0.43 H new ATOM 2908 N HIS B 93 11.965 -4.475 5.700 1.00 0.46 N ATOM 2909 CA HIS B 93 12.301 -5.619 6.531 1.00 0.52 C ATOM 2910 C HIS B 93 13.148 -6.613 5.744 1.00 0.54 C ATOM 2911 O HIS B 93 14.285 -6.903 6.108 1.00 0.66 O ATOM 2912 CB HIS B 93 11.025 -6.296 7.029 1.00 0.58 C ATOM 2913 CG HIS B 93 11.034 -6.605 8.493 1.00 0.65 C ATOM 2914 ND1 HIS B 93 10.142 -6.042 9.384 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.827 -7.423 9.224 1.00 1.25 C ATOM 2916 CE1 HIS B 93 10.388 -6.500 10.596 1.00 1.14 C ATOM 2917 NE2 HIS B 93 11.402 -7.339 10.526 1.00 1.10 N ATOM 0 H HIS B 93 11.029 -4.509 5.297 1.00 0.46 H new ATOM 0 HA HIS B 93 12.876 -5.272 7.389 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.174 -5.652 6.809 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.876 -7.222 6.473 1.00 0.58 H new ATOM 0 HD2 HIS B 93 12.641 -8.028 8.852 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.850 -6.233 11.494 1.00 1.14 H new ATOM 0 HE2 HIS B 93 11.806 -7.845 11.314 1.00 1.10 H new ATOM 2926 N ASP B 94 12.575 -7.136 4.668 1.00 0.58 N ATOM 2927 CA ASP B 94 13.266 -8.093 3.807 1.00 0.63 C ATOM 2928 C ASP B 94 12.755 -7.949 2.376 1.00 0.78 C ATOM 2929 O ASP B 94 12.802 -8.883 1.572 1.00 1.65 O ATOM 2930 CB ASP B 94 13.045 -9.521 4.320 1.00 0.67 C ATOM 2931 CG ASP B 94 13.955 -10.538 3.658 1.00 0.79 C ATOM 2932 OD1 ASP B 94 15.182 -10.313 3.612 1.00 0.92 O ATOM 2933 OD2 ASP B 94 13.445 -11.580 3.186 1.00 1.08 O ATOM 0 H ASP B 94 11.626 -6.913 4.367 1.00 0.58 H new ATOM 0 HA ASP B 94 14.337 -7.888 3.822 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.208 -9.543 5.397 1.00 0.67 H new ATOM 0 HB3 ASP B 94 12.007 -9.806 4.149 1.00 0.67 H new ATOM 2938 N GLY B 95 12.269 -6.758 2.064 1.00 0.57 N ATOM 2939 CA GLY B 95 11.746 -6.491 0.744 1.00 0.52 C ATOM 2940 C GLY B 95 10.305 -6.043 0.789 1.00 0.46 C ATOM 2941 O GLY B 95 9.396 -6.865 0.876 1.00 0.53 O ATOM 0 H GLY B 95 12.228 -5.967 2.707 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.350 -5.722 0.263 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.828 -7.390 0.133 1.00 0.52 H new ATOM 2945 N LEU B 96 10.096 -4.740 0.745 1.00 0.41 N ATOM 2946 CA LEU B 96 8.752 -4.183 0.779 1.00 0.40 C ATOM 2947 C LEU B 96 8.591 -3.128 -0.307 1.00 0.37 C ATOM 2948 O LEU B 96 9.574 -2.683 -0.902 1.00 0.41 O ATOM 2949 CB LEU B 96 8.449 -3.582 2.158 1.00 0.44 C ATOM 2950 CG LEU B 96 8.102 -4.599 3.250 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.095 -3.934 4.617 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.752 -5.246 2.962 1.00 0.70 C ATOM 0 H LEU B 96 10.840 -4.045 0.686 1.00 0.41 H new ATOM 0 HA LEU B 96 8.041 -4.988 0.593 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.314 -3.005 2.483 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.619 -2.883 2.058 1.00 0.44 H new ATOM 0 HG LEU B 96 8.865 -5.377 3.253 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.846 -4.672 5.379 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.080 -3.517 4.824 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.353 -3.136 4.629 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.519 -5.966 3.746 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.979 -4.478 2.933 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.791 -5.757 2.000 1.00 0.70 H new ATOM 2964 N THR B 97 7.352 -2.739 -0.561 1.00 0.39 N ATOM 2965 CA THR B 97 7.055 -1.743 -1.576 1.00 0.39 C ATOM 2966 C THR B 97 6.892 -0.361 -0.954 1.00 0.37 C ATOM 2967 O THR B 97 6.067 -0.163 -0.059 1.00 0.46 O ATOM 2968 CB THR B 97 5.770 -2.112 -2.339 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.210 -3.313 -1.791 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.057 -2.310 -3.821 1.00 0.78 C ATOM 0 H THR B 97 6.532 -3.101 -0.075 1.00 0.39 H new ATOM 0 HA THR B 97 7.894 -1.722 -2.271 1.00 0.39 H new ATOM 0 HB THR B 97 5.058 -1.293 -2.231 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.391 -3.544 -2.278 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.134 -2.570 -4.339 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.461 -1.388 -4.240 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.782 -3.114 -3.947 1.00 0.78 H new ATOM 2978 N VAL B 98 7.687 0.587 -1.425 1.00 0.33 N ATOM 2979 CA VAL B 98 7.631 1.952 -0.926 1.00 0.31 C ATOM 2980 C VAL B 98 7.298 2.916 -2.059 1.00 0.30 C ATOM 2981 O VAL B 98 7.581 2.639 -3.223 1.00 0.36 O ATOM 2982 CB VAL B 98 8.965 2.366 -0.263 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.192 1.579 1.020 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.134 2.183 -1.223 1.00 0.34 C ATOM 0 H VAL B 98 8.382 0.435 -2.156 1.00 0.33 H new ATOM 0 HA VAL B 98 6.846 1.996 -0.171 1.00 0.31 H new ATOM 0 HB VAL B 98 8.902 3.424 -0.010 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.136 1.884 1.472 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.376 1.775 1.716 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.227 0.514 0.792 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.059 2.482 -0.731 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.202 1.136 -1.518 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.978 2.800 -2.108 1.00 0.34 H new ATOM 2994 N HIS B 99 6.675 4.036 -1.724 1.00 0.29 N ATOM 2995 CA HIS B 99 6.310 5.035 -2.724 1.00 0.31 C ATOM 2996 C HIS B 99 7.239 6.239 -2.627 1.00 0.30 C ATOM 2997 O HIS B 99 7.796 6.508 -1.568 1.00 0.47 O ATOM 2998 CB HIS B 99 4.859 5.485 -2.534 1.00 0.38 C ATOM 2999 CG HIS B 99 4.110 5.668 -3.817 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.426 4.646 -4.429 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.932 6.760 -4.603 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.868 5.089 -5.535 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.151 6.369 -5.664 1.00 0.81 N ATOM 0 H HIS B 99 6.411 4.278 -0.769 1.00 0.29 H new ATOM 0 HA HIS B 99 6.410 4.583 -3.711 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.338 4.749 -1.922 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.849 6.424 -1.981 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.361 3.690 -4.079 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.329 7.749 -4.428 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.277 4.502 -6.222 1.00 0.81 H new ATOM 3012 N LEU B 100 7.410 6.948 -3.730 1.00 0.31 N ATOM 3013 CA LEU B 100 8.273 8.121 -3.754 1.00 0.32 C ATOM 3014 C LEU B 100 7.459 9.400 -3.933 1.00 0.32 C ATOM 3015 O LEU B 100 6.793 9.585 -4.955 1.00 0.40 O ATOM 3016 CB LEU B 100 9.295 7.989 -4.886 1.00 0.37 C ATOM 3017 CG LEU B 100 10.529 8.882 -4.755 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.384 8.445 -3.575 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.338 8.853 -6.041 1.00 0.91 C ATOM 0 H LEU B 100 6.963 6.733 -4.622 1.00 0.31 H new ATOM 0 HA LEU B 100 8.794 8.182 -2.799 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.622 6.950 -4.940 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.800 8.217 -5.830 1.00 0.37 H new ATOM 0 HG LEU B 100 10.199 9.905 -4.575 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.257 9.093 -3.499 1.00 0.85 H new ATOM 0 HD12 LEU B 100 10.800 8.514 -2.657 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.708 7.415 -3.722 1.00 0.85 H new ATOM 0 HD21 LEU B 100 12.214 9.493 -5.934 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.658 7.831 -6.247 1.00 0.91 H new ATOM 0 HD23 LEU B 100 10.723 9.214 -6.866 1.00 0.91 H new ATOM 3031 N VAL B 101 7.510 10.276 -2.933 1.00 0.30 N ATOM 3032 CA VAL B 101 6.781 11.543 -2.985 1.00 0.32 C ATOM 3033 C VAL B 101 7.744 12.719 -2.853 1.00 0.33 C ATOM 3034 O VAL B 101 8.941 12.525 -2.627 1.00 0.38 O ATOM 3035 CB VAL B 101 5.701 11.644 -1.885 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.666 10.540 -2.044 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.335 11.601 -0.501 1.00 0.52 C ATOM 0 H VAL B 101 8.047 10.133 -2.078 1.00 0.30 H new ATOM 0 HA VAL B 101 6.281 11.578 -3.953 1.00 0.32 H new ATOM 0 HB VAL B 101 5.192 12.602 -1.993 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.915 10.630 -1.259 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.185 10.629 -3.018 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.155 9.569 -1.969 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.556 11.674 0.258 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.876 10.663 -0.378 1.00 0.52 H new ATOM 0 HG23 VAL B 101 7.027 12.436 -0.392 1.00 0.52 H new ATOM 3047 N ILE B 102 7.224 13.935 -2.985 1.00 0.36 N ATOM 3048 CA ILE B 102 8.051 15.133 -2.890 1.00 0.41 C ATOM 3049 C ILE B 102 7.381 16.200 -2.024 1.00 0.51 C ATOM 3050 O ILE B 102 7.292 17.368 -2.405 1.00 0.79 O ATOM 3051 CB ILE B 102 8.367 15.716 -4.288 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.196 15.504 -5.260 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.633 15.086 -4.850 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.171 16.617 -5.247 1.00 1.32 C ATOM 0 H ILE B 102 6.235 14.117 -3.158 1.00 0.36 H new ATOM 0 HA ILE B 102 8.988 14.836 -2.419 1.00 0.41 H new ATOM 0 HB ILE B 102 8.522 16.789 -4.174 1.00 0.52 H new ATOM 0 HG12 ILE B 102 7.591 15.401 -6.271 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.700 14.565 -5.014 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.843 15.506 -5.834 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.469 15.292 -4.182 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.495 14.008 -4.937 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.379 16.390 -5.960 1.00 1.32 H new ATOM 0 HD12 ILE B 102 5.745 16.708 -4.248 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.650 17.556 -5.524 1.00 1.32 H new ATOM 3066 N LYS B 103 6.922 15.793 -0.849 1.00 0.59 N ATOM 3067 CA LYS B 103 6.248 16.707 0.064 1.00 0.76 C ATOM 3068 C LYS B 103 7.149 17.062 1.241 1.00 0.91 C ATOM 3069 O LYS B 103 7.420 16.175 2.077 1.00 1.07 O ATOM 3070 CB LYS B 103 4.939 16.082 0.558 1.00 0.86 C ATOM 3071 CG LYS B 103 3.998 15.695 -0.573 1.00 1.00 C ATOM 3072 CD LYS B 103 2.697 15.112 -0.054 1.00 1.15 C ATOM 3073 CE LYS B 103 1.745 14.777 -1.193 1.00 1.32 C ATOM 3074 NZ LYS B 103 0.764 15.864 -1.456 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.592 18.229 1.322 1.00 1.20 O ATOM 0 H LYS B 103 7.004 14.836 -0.505 1.00 0.59 H new ATOM 0 HA LYS B 103 6.019 17.628 -0.473 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.167 15.197 1.152 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.433 16.787 1.218 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.784 16.572 -1.183 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.489 14.968 -1.220 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.905 14.212 0.525 1.00 1.15 H new ATOM 0 HD3 LYS B 103 2.222 15.823 0.622 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.321 14.585 -2.098 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.209 13.858 -0.955 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 0.097 15.559 -2.194 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 0.241 16.078 -0.583 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 1.267 16.716 -1.775 1.00 1.74 H new