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 51 ASN : amide:sc= -0.64 K(o=-1.1,f=-3.6) USER MOD Set 1.2: B 52 SER OG : rot -170:sc= -0.482 USER MOD Set 2.1: A 88 CYS SG : rot -96:sc= 0.218 USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0.655 USER MOD Set 3.1: A 52 THR OG1 : rot 80:sc= 1.36 USER MOD Set 3.2: A 58 HIS : no HE2:sc= 0.0671 X(o=1.4,f=1) USER MOD Set 4.1: A 48 TYR OH : rot 94:sc= 0.601 USER MOD Set 4.2: A 60 CYS SG : rot -91:sc= 1.33 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+ -147:sc= 2.5 (180deg=0.237) USER MOD Single : A 31 MET CE :methyl 141:sc= -0.187 (180deg=-0.429) 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 -45:sc= 0.247 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 55 SER OG : rot 180:sc= 0 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 -69:sc= 1.04 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 80 CYS SG : rot 101:sc= 0.134 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 1.53 (180deg=1.3) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 94 TYR OH : rot -153:sc= 1.22 USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= 0.156 (180deg=0.00836) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 103 LYS NZ :NH3+ 156:sc= -0.195 (180deg=-0.836) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.382 K(o=-0.38,f=-4.6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 116 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.061) USER MOD Single : A 120 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.61) USER MOD Single : A 121 CYS SG : rot 54:sc= 1.04 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.94 K(o=1.9,f=-8.5!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.236 K(o=0.24,f=-3.7!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.121) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -103:sc= 2.09 (180deg=-0.433) USER MOD Single : B 39 THR OG1 : rot -8:sc= 0.606 USER MOD Single : B 41 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0493) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 31:sc= -0.517 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= -0.0178 USER MOD Single : B 68 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.6) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ 152:sc= -0.693 (180deg=-1.36) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.46) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.142 X(o=0.14,f=-0.12) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 97 THR OG1 : rot -170:sc= -0.159 USER MOD Single : B 99 HIS : no HE2:sc= -3.3! C(o=-2.1!,f=-8.8!) USER MOD Single : B 103 LYS NZ :NH3+ -145:sc= 0.718 (180deg=0.165) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.709 21.463 8.651 1.00 0.79 N ATOM 2 CA LYS A 21 -12.849 20.617 8.248 1.00 0.63 C ATOM 3 C LYS A 21 -12.346 19.381 7.522 1.00 0.53 C ATOM 4 O LYS A 21 -11.157 19.273 7.214 1.00 0.61 O ATOM 5 CB LYS A 21 -13.812 21.399 7.347 1.00 0.62 C ATOM 6 CG LYS A 21 -13.213 21.798 6.006 1.00 0.66 C ATOM 7 CD LYS A 21 -14.204 22.574 5.155 1.00 0.77 C ATOM 8 CE LYS A 21 -14.455 23.963 5.720 1.00 0.90 C ATOM 9 NZ LYS A 21 -15.512 24.688 4.972 1.00 1.10 N ATOM 0 HA LYS A 21 -13.387 20.312 9.145 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.702 20.794 7.171 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.136 22.298 7.871 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.323 22.405 6.171 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -12.895 20.904 5.470 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -13.824 22.657 4.137 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.145 22.027 5.100 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -14.745 23.881 6.768 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -13.530 24.539 5.689 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -15.650 25.630 5.391 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.225 24.790 3.978 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.402 24.153 5.022 1.00 1.10 H new ATOM 23 N TYR A 22 -13.246 18.450 7.252 1.00 0.49 N ATOM 24 CA TYR A 22 -12.886 17.223 6.561 1.00 0.49 C ATOM 25 C TYR A 22 -13.511 17.204 5.175 1.00 0.47 C ATOM 26 O TYR A 22 -14.523 17.867 4.931 1.00 0.57 O ATOM 27 CB TYR A 22 -13.354 15.994 7.352 1.00 0.56 C ATOM 28 CG TYR A 22 -13.393 16.196 8.852 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.269 16.621 9.553 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.562 15.965 9.565 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.312 16.809 10.921 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.611 16.150 10.930 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.485 16.574 11.603 1.00 0.65 C ATOM 34 OH TYR A 22 -13.535 16.766 12.962 1.00 0.75 O ATOM 0 H TYR A 22 -14.233 18.521 7.501 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.800 17.188 6.472 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.350 15.713 7.009 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.692 15.158 7.127 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.349 16.807 9.020 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.447 15.635 9.042 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.431 17.138 11.452 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.528 15.964 11.470 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.435 16.557 13.289 1.00 0.75 H new ATOM 44 N LEU A 23 -12.910 16.448 4.273 1.00 0.41 N ATOM 45 CA LEU A 23 -13.414 16.335 2.916 1.00 0.43 C ATOM 46 C LEU A 23 -14.587 15.364 2.886 1.00 0.43 C ATOM 47 O LEU A 23 -15.634 15.643 2.297 1.00 0.52 O ATOM 48 CB LEU A 23 -12.300 15.859 1.979 1.00 0.45 C ATOM 49 CG LEU A 23 -10.999 16.662 2.057 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.850 15.879 1.446 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.159 18.009 1.364 1.00 0.70 C ATOM 0 H LEU A 23 -12.069 15.901 4.457 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.756 17.312 2.576 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.079 14.816 2.203 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.669 15.893 0.954 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.770 16.842 3.107 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.934 16.466 1.511 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.719 14.942 1.988 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.071 15.666 0.400 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.224 18.565 1.430 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.414 17.851 0.316 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -11.953 18.576 1.849 1.00 0.70 H new ATOM 63 N VAL A 24 -14.401 14.227 3.542 1.00 0.42 N ATOM 64 CA VAL A 24 -15.425 13.190 3.623 1.00 0.46 C ATOM 65 C VAL A 24 -15.536 12.694 5.064 1.00 0.43 C ATOM 66 O VAL A 24 -14.518 12.522 5.735 1.00 0.44 O ATOM 67 CB VAL A 24 -15.103 11.988 2.700 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.210 10.938 2.759 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.891 12.443 1.265 1.00 0.76 C ATOM 0 H VAL A 24 -13.537 13.996 4.033 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.367 13.629 3.294 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.179 11.537 3.061 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.958 10.106 2.102 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.313 10.575 3.781 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.151 11.383 2.436 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.667 11.579 0.639 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.795 12.930 0.900 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.059 13.146 1.225 1.00 0.76 H new ATOM 79 N GLU A 25 -16.761 12.490 5.538 1.00 0.45 N ATOM 80 CA GLU A 25 -16.993 12.011 6.898 1.00 0.45 C ATOM 81 C GLU A 25 -18.257 11.154 6.953 1.00 0.47 C ATOM 82 O GLU A 25 -19.331 11.590 6.539 1.00 0.55 O ATOM 83 CB GLU A 25 -17.108 13.192 7.872 1.00 0.49 C ATOM 84 CG GLU A 25 -18.022 14.305 7.383 1.00 0.56 C ATOM 85 CD GLU A 25 -18.204 15.407 8.406 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.894 15.173 9.422 1.00 0.96 O ATOM 87 OE2 GLU A 25 -17.675 16.519 8.188 1.00 0.95 O ATOM 0 H GLU A 25 -17.612 12.649 4.999 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.143 11.397 7.196 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.477 12.826 8.830 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.114 13.603 8.049 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.611 14.730 6.467 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.996 13.885 7.131 1.00 0.56 H new ATOM 94 N PHE A 26 -18.120 9.924 7.431 1.00 0.43 N ATOM 95 CA PHE A 26 -19.258 9.020 7.541 1.00 0.46 C ATOM 96 C PHE A 26 -19.082 8.074 8.726 1.00 0.45 C ATOM 97 O PHE A 26 -17.975 7.896 9.231 1.00 0.44 O ATOM 98 CB PHE A 26 -19.455 8.223 6.243 1.00 0.47 C ATOM 99 CG PHE A 26 -18.250 7.430 5.807 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.273 8.010 5.013 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.099 6.105 6.186 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.169 7.286 4.607 1.00 0.55 C ATOM 103 CE2 PHE A 26 -16.997 5.377 5.783 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.031 5.968 4.994 1.00 0.51 C ATOM 0 H PHE A 26 -17.234 9.530 7.748 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.151 9.623 7.709 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.295 7.541 6.375 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.727 8.914 5.445 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.376 9.041 4.708 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.852 5.637 6.803 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.415 7.750 3.988 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.891 4.346 6.085 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.168 5.400 4.680 1.00 0.51 H new ATOM 114 N ARG A 27 -20.177 7.476 9.165 1.00 0.47 N ATOM 115 CA ARG A 27 -20.143 6.562 10.298 1.00 0.47 C ATOM 116 C ARG A 27 -19.772 5.158 9.845 1.00 0.45 C ATOM 117 O ARG A 27 -20.447 4.575 8.994 1.00 0.46 O ATOM 118 CB ARG A 27 -21.501 6.544 10.999 1.00 0.51 C ATOM 119 CG ARG A 27 -21.891 7.883 11.604 1.00 0.55 C ATOM 120 CD ARG A 27 -23.403 8.029 11.703 1.00 0.61 C ATOM 121 NE ARG A 27 -24.019 8.253 10.396 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.179 8.883 10.215 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.854 9.353 11.254 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.666 9.039 8.991 1.00 0.77 N ATOM 0 H ARG A 27 -21.102 7.606 8.755 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.384 6.911 10.999 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.266 6.241 10.284 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.484 5.790 11.786 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.449 7.978 12.596 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.485 8.691 10.995 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.825 7.131 12.153 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.644 8.861 12.365 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.530 7.905 9.571 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.486 9.233 12.198 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.742 9.835 11.110 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.152 8.677 8.188 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.554 9.521 8.853 1.00 0.77 H new ATOM 138 N ALA A 28 -18.710 4.615 10.426 1.00 0.44 N ATOM 139 CA ALA A 28 -18.245 3.280 10.080 1.00 0.43 C ATOM 140 C ALA A 28 -17.378 2.704 11.193 1.00 0.42 C ATOM 141 O ALA A 28 -16.550 3.406 11.781 1.00 0.44 O ATOM 142 CB ALA A 28 -17.473 3.302 8.767 1.00 0.42 C ATOM 0 H ALA A 28 -18.153 5.082 11.142 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.119 2.640 9.957 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.134 2.294 8.527 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.121 3.667 7.970 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.610 3.961 8.863 1.00 0.42 H new ATOM 148 N GLY A 29 -17.580 1.430 11.483 1.00 0.43 N ATOM 149 CA GLY A 29 -16.812 0.776 12.516 1.00 0.43 C ATOM 150 C GLY A 29 -15.623 0.045 11.937 1.00 0.41 C ATOM 151 O GLY A 29 -15.718 -0.528 10.854 1.00 0.46 O ATOM 0 H GLY A 29 -18.266 0.835 11.018 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.470 1.515 13.240 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.447 0.072 13.054 1.00 0.43 H new ATOM 155 N LYS A 30 -14.507 0.073 12.640 1.00 0.42 N ATOM 156 CA LYS A 30 -13.300 -0.595 12.168 1.00 0.42 C ATOM 157 C LYS A 30 -13.267 -2.045 12.644 1.00 0.41 C ATOM 158 O LYS A 30 -14.175 -2.502 13.340 1.00 0.45 O ATOM 159 CB LYS A 30 -12.053 0.150 12.653 1.00 0.48 C ATOM 160 CG LYS A 30 -11.797 0.026 14.146 1.00 0.54 C ATOM 161 CD LYS A 30 -10.585 0.839 14.566 1.00 0.67 C ATOM 162 CE LYS A 30 -10.011 0.347 15.884 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.897 1.209 16.355 1.00 0.60 N ATOM 0 H LYS A 30 -14.407 0.548 13.537 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.309 -0.589 11.078 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.184 -0.228 12.114 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.152 1.205 12.399 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -12.674 0.365 14.697 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -11.643 -1.021 14.405 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -9.821 0.780 13.791 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.865 1.888 14.659 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.798 0.325 16.638 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.654 -0.676 15.766 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.200 0.628 16.863 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.440 1.663 15.538 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.270 1.940 16.994 1.00 0.60 H new ATOM 177 N MET A 31 -12.233 -2.772 12.248 1.00 0.43 N ATOM 178 CA MET A 31 -12.077 -4.161 12.653 1.00 0.44 C ATOM 179 C MET A 31 -10.656 -4.393 13.141 1.00 0.46 C ATOM 180 O MET A 31 -9.700 -3.903 12.538 1.00 0.55 O ATOM 181 CB MET A 31 -12.395 -5.110 11.494 1.00 0.46 C ATOM 182 CG MET A 31 -13.770 -4.892 10.878 1.00 0.47 C ATOM 183 SD MET A 31 -14.459 -6.392 10.151 1.00 0.54 S ATOM 184 CE MET A 31 -16.009 -5.768 9.505 1.00 0.61 C ATOM 0 H MET A 31 -11.488 -2.422 11.645 1.00 0.43 H new ATOM 0 HA MET A 31 -12.779 -4.367 13.461 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.637 -4.989 10.720 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.326 -6.138 11.850 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.451 -4.520 11.644 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.701 -4.121 10.111 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.214 -6.231 8.540 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.815 -6.006 10.200 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.943 -4.687 9.382 1.00 0.61 H new ATOM 194 N SER A 32 -10.523 -5.123 14.234 1.00 0.49 N ATOM 195 CA SER A 32 -9.216 -5.403 14.803 1.00 0.52 C ATOM 196 C SER A 32 -8.796 -6.843 14.522 1.00 0.52 C ATOM 197 O SER A 32 -9.578 -7.776 14.704 1.00 0.54 O ATOM 198 CB SER A 32 -9.240 -5.151 16.310 1.00 0.59 C ATOM 199 OG SER A 32 -9.936 -3.953 16.614 1.00 0.93 O ATOM 0 H SER A 32 -11.304 -5.533 14.746 1.00 0.49 H new ATOM 0 HA SER A 32 -8.489 -4.738 14.337 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.717 -5.991 16.815 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.220 -5.089 16.688 1.00 0.59 H new ATOM 0 HG SER A 32 -9.940 -3.814 17.584 1.00 0.93 H new ATOM 205 N LEU A 33 -7.564 -7.021 14.069 1.00 0.54 N ATOM 206 CA LEU A 33 -7.046 -8.348 13.774 1.00 0.56 C ATOM 207 C LEU A 33 -6.496 -8.986 15.045 1.00 0.58 C ATOM 208 O LEU A 33 -5.299 -8.909 15.326 1.00 0.63 O ATOM 209 CB LEU A 33 -5.953 -8.270 12.705 1.00 0.58 C ATOM 210 CG LEU A 33 -5.342 -9.612 12.290 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.346 -10.445 11.512 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.085 -9.389 11.463 1.00 0.67 C ATOM 0 H LEU A 33 -6.904 -6.262 13.898 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.859 -8.965 13.391 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.369 -7.790 11.819 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.155 -7.625 13.072 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.073 -10.158 13.194 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.890 -11.393 11.228 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.221 -10.635 12.134 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.649 -9.905 10.615 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.663 -10.352 11.176 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.335 -8.821 10.567 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.355 -8.834 12.053 1.00 0.67 H new ATOM 224 N LYS A 34 -7.381 -9.595 15.817 1.00 0.59 N ATOM 225 CA LYS A 34 -6.993 -10.243 17.060 1.00 0.63 C ATOM 226 C LYS A 34 -6.348 -11.591 16.777 1.00 0.65 C ATOM 227 O LYS A 34 -7.029 -12.549 16.407 1.00 0.68 O ATOM 228 CB LYS A 34 -8.203 -10.420 17.982 1.00 0.66 C ATOM 229 CG LYS A 34 -8.647 -9.133 18.659 1.00 0.68 C ATOM 230 CD LYS A 34 -9.635 -9.410 19.782 1.00 0.76 C ATOM 231 CE LYS A 34 -9.920 -8.159 20.598 1.00 0.84 C ATOM 232 NZ LYS A 34 -10.713 -8.458 21.821 1.00 1.01 N ATOM 0 H LYS A 34 -8.377 -9.654 15.604 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.267 -9.605 17.563 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.035 -10.821 17.403 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.961 -11.158 18.747 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.777 -8.611 19.058 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.106 -8.472 17.923 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.566 -9.791 19.363 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.237 -10.188 20.434 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -8.978 -7.690 20.883 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -10.461 -7.440 19.982 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -10.885 -7.578 22.347 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -11.623 -8.882 21.550 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.186 -9.124 22.422 1.00 1.01 H new ATOM 246 N GLY A 35 -5.031 -11.647 16.926 1.00 0.66 N ATOM 247 CA GLY A 35 -4.303 -12.876 16.689 1.00 0.70 C ATOM 248 C GLY A 35 -4.230 -13.222 15.218 1.00 0.70 C ATOM 249 O GLY A 35 -3.288 -12.842 14.528 1.00 0.75 O ATOM 0 H GLY A 35 -4.451 -10.857 17.209 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.293 -12.781 17.089 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.784 -13.691 17.229 1.00 0.70 H new ATOM 253 N THR A 36 -5.236 -13.935 14.737 1.00 0.68 N ATOM 254 CA THR A 36 -5.286 -14.336 13.340 1.00 0.70 C ATOM 255 C THR A 36 -6.725 -14.276 12.821 1.00 0.68 C ATOM 256 O THR A 36 -7.036 -14.777 11.737 1.00 0.72 O ATOM 257 CB THR A 36 -4.702 -15.759 13.158 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.442 -16.027 11.771 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.641 -16.821 13.718 1.00 0.77 C ATOM 0 H THR A 36 -6.030 -14.248 15.295 1.00 0.68 H new ATOM 0 HA THR A 36 -4.678 -13.642 12.760 1.00 0.70 H new ATOM 0 HB THR A 36 -3.765 -15.800 13.713 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.206 -15.733 11.232 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.201 -17.808 13.574 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.796 -16.645 14.782 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.598 -16.771 13.198 1.00 0.77 H new ATOM 267 N THR A 37 -7.598 -13.648 13.600 1.00 0.66 N ATOM 268 CA THR A 37 -9.000 -13.522 13.234 1.00 0.66 C ATOM 269 C THR A 37 -9.457 -12.063 13.304 1.00 0.61 C ATOM 270 O THR A 37 -9.230 -11.373 14.302 1.00 0.61 O ATOM 271 CB THR A 37 -9.888 -14.381 14.156 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.373 -15.721 14.218 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.324 -14.415 13.655 1.00 0.81 C ATOM 0 H THR A 37 -7.356 -13.217 14.492 1.00 0.66 H new ATOM 0 HA THR A 37 -9.102 -13.876 12.208 1.00 0.66 H new ATOM 0 HB THR A 37 -9.877 -13.934 15.150 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.940 -16.262 14.806 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.928 -15.028 14.324 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.725 -13.402 13.630 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.349 -14.840 12.652 1.00 0.81 H new ATOM 281 N VAL A 38 -10.094 -11.602 12.236 1.00 0.60 N ATOM 282 CA VAL A 38 -10.587 -10.234 12.169 1.00 0.57 C ATOM 283 C VAL A 38 -11.858 -10.083 13.002 1.00 0.57 C ATOM 284 O VAL A 38 -12.876 -10.717 12.719 1.00 0.64 O ATOM 285 CB VAL A 38 -10.877 -9.805 10.712 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.299 -8.348 10.652 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.662 -10.047 9.829 1.00 0.61 C ATOM 0 H VAL A 38 -10.282 -12.158 11.402 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.806 -9.588 12.571 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.700 -10.413 10.337 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.498 -8.069 9.617 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.202 -8.206 11.246 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.501 -7.721 11.050 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.887 -9.739 8.808 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.818 -9.469 10.205 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.409 -11.107 9.840 1.00 0.61 H new ATOM 297 N THR A 39 -11.794 -9.252 14.029 1.00 0.56 N ATOM 298 CA THR A 39 -12.938 -9.024 14.896 1.00 0.58 C ATOM 299 C THR A 39 -13.481 -7.605 14.710 1.00 0.55 C ATOM 300 O THR A 39 -12.789 -6.627 15.004 1.00 0.55 O ATOM 301 CB THR A 39 -12.559 -9.245 16.372 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.514 -10.223 16.457 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.758 -9.722 17.174 1.00 0.74 C ATOM 0 H THR A 39 -10.960 -8.723 14.283 1.00 0.56 H new ATOM 0 HA THR A 39 -13.713 -9.740 14.621 1.00 0.58 H new ATOM 0 HB THR A 39 -12.218 -8.296 16.785 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.272 -10.362 17.396 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.465 -9.871 18.213 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.550 -8.975 17.124 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.121 -10.663 16.761 1.00 0.74 H new ATOM 311 N PRO A 40 -14.713 -7.474 14.188 1.00 0.55 N ATOM 312 CA PRO A 40 -15.349 -6.171 13.961 1.00 0.54 C ATOM 313 C PRO A 40 -15.632 -5.419 15.256 1.00 0.56 C ATOM 314 O PRO A 40 -16.154 -5.992 16.219 1.00 0.63 O ATOM 315 CB PRO A 40 -16.668 -6.516 13.260 1.00 0.56 C ATOM 316 CG PRO A 40 -16.527 -7.927 12.806 1.00 0.65 C ATOM 317 CD PRO A 40 -15.582 -8.585 13.768 1.00 0.58 C ATOM 0 HA PRO A 40 -14.700 -5.515 13.381 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.513 -6.406 13.940 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.849 -5.850 12.417 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.493 -8.433 12.802 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.140 -7.971 11.788 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.109 -9.027 14.613 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.014 -9.385 13.293 1.00 0.58 H new ATOM 325 N ASP A 41 -15.282 -4.141 15.277 1.00 0.53 N ATOM 326 CA ASP A 41 -15.504 -3.302 16.446 1.00 0.56 C ATOM 327 C ASP A 41 -16.980 -2.945 16.549 1.00 0.58 C ATOM 328 O ASP A 41 -17.625 -2.651 15.541 1.00 0.66 O ATOM 329 CB ASP A 41 -14.665 -2.023 16.358 1.00 0.57 C ATOM 330 CG ASP A 41 -14.295 -1.475 17.717 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.200 -1.288 18.560 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.095 -1.226 17.954 1.00 0.68 O ATOM 0 H ASP A 41 -14.841 -3.660 14.493 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.201 -3.855 17.335 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.756 -2.228 15.793 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.220 -1.266 15.804 1.00 0.57 H new ATOM 337 N LYS A 42 -17.511 -2.977 17.759 1.00 0.61 N ATOM 338 CA LYS A 42 -18.918 -2.670 17.985 1.00 0.64 C ATOM 339 C LYS A 42 -19.104 -1.200 18.332 1.00 0.64 C ATOM 340 O LYS A 42 -20.230 -0.713 18.432 1.00 0.76 O ATOM 341 CB LYS A 42 -19.482 -3.540 19.111 1.00 0.71 C ATOM 342 CG LYS A 42 -19.335 -5.032 18.859 1.00 0.72 C ATOM 343 CD LYS A 42 -19.670 -5.837 20.100 1.00 0.84 C ATOM 344 CE LYS A 42 -19.416 -7.322 19.891 1.00 0.90 C ATOM 345 NZ LYS A 42 -19.480 -8.075 21.171 1.00 1.08 N ATOM 0 H LYS A 42 -16.990 -3.213 18.604 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.459 -2.883 17.063 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.977 -3.286 20.043 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.538 -3.305 19.246 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.991 -5.331 18.041 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.314 -5.251 18.546 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.072 -5.480 20.938 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.716 -5.680 20.365 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.153 -7.723 19.195 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -18.437 -7.463 19.434 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -19.302 -9.084 20.990 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.760 -7.709 21.826 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -20.423 -7.961 21.594 1.00 1.08 H new ATOM 359 N ARG A 43 -17.996 -0.496 18.511 1.00 0.58 N ATOM 360 CA ARG A 43 -18.044 0.917 18.853 1.00 0.58 C ATOM 361 C ARG A 43 -18.417 1.760 17.642 1.00 0.55 C ATOM 362 O ARG A 43 -18.180 1.371 16.496 1.00 0.55 O ATOM 363 CB ARG A 43 -16.699 1.378 19.415 1.00 0.58 C ATOM 364 CG ARG A 43 -16.393 0.822 20.794 1.00 0.60 C ATOM 365 CD ARG A 43 -14.973 1.157 21.217 1.00 0.60 C ATOM 366 NE ARG A 43 -14.000 0.758 20.203 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.833 1.362 20.004 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.476 2.397 20.750 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.025 0.932 19.048 1.00 0.57 N ATOM 0 H ARG A 43 -17.055 -0.879 18.425 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.812 1.050 19.615 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.907 1.080 18.728 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.688 2.467 19.461 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.097 1.231 21.519 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.529 -0.259 20.792 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.891 2.229 21.399 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.745 0.655 22.158 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.232 -0.037 19.608 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.099 2.736 21.484 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.579 2.855 20.591 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.299 0.140 18.467 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.129 1.393 18.892 1.00 0.57 H new ATOM 383 N LYS A 44 -19.004 2.917 17.902 1.00 0.57 N ATOM 384 CA LYS A 44 -19.411 3.830 16.849 1.00 0.56 C ATOM 385 C LYS A 44 -18.249 4.739 16.473 1.00 0.53 C ATOM 386 O LYS A 44 -17.796 5.554 17.281 1.00 0.59 O ATOM 387 CB LYS A 44 -20.607 4.667 17.303 1.00 0.62 C ATOM 388 CG LYS A 44 -21.834 3.839 17.642 1.00 0.70 C ATOM 389 CD LYS A 44 -22.960 4.709 18.168 1.00 0.79 C ATOM 390 CE LYS A 44 -24.147 3.872 18.617 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.259 4.714 19.130 1.00 1.07 N ATOM 0 H LYS A 44 -19.211 3.248 18.845 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.705 3.249 15.975 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.320 5.251 18.177 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -20.863 5.376 16.516 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.170 3.303 16.754 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.573 3.088 18.388 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.599 5.308 19.004 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.277 5.405 17.391 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.504 3.270 17.781 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.828 3.179 19.395 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.048 4.104 19.425 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.927 5.269 19.944 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.581 5.358 18.380 1.00 1.07 H new ATOM 405 N GLY A 45 -17.768 4.599 15.250 1.00 0.52 N ATOM 406 CA GLY A 45 -16.656 5.406 14.807 1.00 0.51 C ATOM 407 C GLY A 45 -16.988 6.243 13.599 1.00 0.48 C ATOM 408 O GLY A 45 -17.930 5.944 12.861 1.00 0.50 O ATOM 0 H GLY A 45 -18.127 3.942 14.558 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.340 6.059 15.620 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -15.812 4.757 14.573 1.00 0.51 H new ATOM 412 N LEU A 46 -16.221 7.299 13.415 1.00 0.46 N ATOM 413 CA LEU A 46 -16.405 8.197 12.296 1.00 0.45 C ATOM 414 C LEU A 46 -15.162 8.210 11.423 1.00 0.41 C ATOM 415 O LEU A 46 -14.068 8.550 11.885 1.00 0.42 O ATOM 416 CB LEU A 46 -16.705 9.613 12.798 1.00 0.47 C ATOM 417 CG LEU A 46 -16.876 10.672 11.707 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.300 10.672 11.178 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.504 12.047 12.235 1.00 0.59 C ATOM 0 H LEU A 46 -15.454 7.557 14.036 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.249 7.846 11.703 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.615 9.583 13.398 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.897 9.925 13.460 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.205 10.426 10.884 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.400 11.432 10.403 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.532 9.693 10.758 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -18.991 10.891 11.992 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -16.632 12.787 11.445 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.148 12.300 13.077 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.464 12.042 12.562 1.00 0.59 H new ATOM 431 N VAL A 47 -15.329 7.822 10.173 1.00 0.40 N ATOM 432 CA VAL A 47 -14.231 7.813 9.225 1.00 0.39 C ATOM 433 C VAL A 47 -14.216 9.145 8.493 1.00 0.37 C ATOM 434 O VAL A 47 -15.199 9.509 7.842 1.00 0.40 O ATOM 435 CB VAL A 47 -14.356 6.662 8.203 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.199 6.692 7.214 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.413 5.318 8.911 1.00 0.43 C ATOM 0 H VAL A 47 -16.220 7.507 9.789 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.302 7.659 9.774 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.285 6.800 7.650 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.307 5.873 6.503 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.203 7.641 6.678 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.257 6.584 7.752 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.501 4.521 8.172 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.503 5.174 9.493 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.276 5.293 9.576 1.00 0.43 H new ATOM 447 N TYR A 48 -13.124 9.881 8.613 1.00 0.37 N ATOM 448 CA TYR A 48 -13.033 11.179 7.971 1.00 0.37 C ATOM 449 C TYR A 48 -11.713 11.351 7.234 1.00 0.34 C ATOM 450 O TYR A 48 -10.687 10.787 7.621 1.00 0.36 O ATOM 451 CB TYR A 48 -13.209 12.299 9.006 1.00 0.43 C ATOM 452 CG TYR A 48 -12.020 12.485 9.926 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.844 11.679 11.046 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.073 13.471 9.673 1.00 0.46 C ATOM 455 CE1 TYR A 48 -10.757 11.852 11.882 1.00 0.73 C ATOM 456 CE2 TYR A 48 -9.986 13.646 10.505 1.00 0.54 C ATOM 457 CZ TYR A 48 -9.834 12.836 11.607 1.00 0.64 C ATOM 458 OH TYR A 48 -8.747 13.005 12.430 1.00 0.78 O ATOM 0 H TYR A 48 -12.297 9.605 9.143 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.835 11.239 7.236 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.399 13.236 8.482 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.091 12.086 9.609 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.567 10.907 11.265 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.190 14.111 8.811 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.632 11.218 12.747 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.258 14.415 10.292 1.00 0.54 H new ATOM 0 HH TYR A 48 -7.985 12.503 12.073 1.00 0.78 H new ATOM 468 N ILE A 49 -11.763 12.129 6.163 1.00 0.33 N ATOM 469 CA ILE A 49 -10.586 12.420 5.361 1.00 0.32 C ATOM 470 C ILE A 49 -10.232 13.890 5.512 1.00 0.30 C ATOM 471 O ILE A 49 -10.984 14.763 5.081 1.00 0.35 O ATOM 472 CB ILE A 49 -10.813 12.111 3.866 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.388 10.703 3.696 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.507 12.258 3.095 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.652 10.327 2.256 1.00 0.69 C ATOM 0 H ILE A 49 -12.617 12.574 5.827 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.775 11.785 5.717 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.532 12.824 3.464 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.695 9.982 4.130 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.319 10.629 4.259 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.680 12.038 2.042 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.138 13.278 3.196 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.768 11.563 3.495 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -12.058 9.317 2.212 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.368 11.025 1.823 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.720 10.368 1.693 1.00 0.69 H new ATOM 487 N GLN A 50 -9.105 14.165 6.138 1.00 0.30 N ATOM 488 CA GLN A 50 -8.674 15.535 6.357 1.00 0.33 C ATOM 489 C GLN A 50 -7.384 15.833 5.602 1.00 0.30 C ATOM 490 O GLN A 50 -6.492 14.993 5.529 1.00 0.36 O ATOM 491 CB GLN A 50 -8.482 15.774 7.858 1.00 0.42 C ATOM 492 CG GLN A 50 -7.925 17.145 8.198 1.00 0.51 C ATOM 493 CD GLN A 50 -8.008 17.460 9.678 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.957 16.565 10.524 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.134 18.738 9.997 1.00 0.86 N ATOM 0 H GLN A 50 -8.469 13.458 6.505 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.442 16.208 5.977 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.441 15.647 8.361 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.811 15.012 8.254 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -6.885 17.200 7.877 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -8.472 17.904 7.638 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.172 19.445 9.263 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.193 19.016 10.977 1.00 0.86 H new ATOM 504 N GLN A 51 -7.293 17.022 5.029 1.00 0.37 N ATOM 505 CA GLN A 51 -6.101 17.421 4.302 1.00 0.37 C ATOM 506 C GLN A 51 -5.457 18.616 4.991 1.00 0.39 C ATOM 507 O GLN A 51 -6.130 19.601 5.304 1.00 0.51 O ATOM 508 CB GLN A 51 -6.442 17.755 2.849 1.00 0.44 C ATOM 509 CG GLN A 51 -5.223 17.902 1.953 1.00 0.52 C ATOM 510 CD GLN A 51 -5.597 18.090 0.498 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.650 18.637 0.185 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.741 17.632 -0.402 1.00 0.93 N ATOM 0 H GLN A 51 -8.030 17.727 5.054 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.394 16.591 4.298 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.085 16.972 2.447 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.015 18.682 2.823 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.631 18.754 2.286 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.593 17.018 2.052 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.876 17.183 -0.101 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.947 17.728 -1.396 1.00 0.93 H new ATOM 521 N THR A 52 -4.165 18.518 5.255 1.00 0.38 N ATOM 522 CA THR A 52 -3.444 19.586 5.924 1.00 0.45 C ATOM 523 C THR A 52 -2.668 20.451 4.927 1.00 0.36 C ATOM 524 O THR A 52 -2.674 20.190 3.720 1.00 0.33 O ATOM 525 CB THR A 52 -2.484 19.000 6.970 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.213 17.626 6.653 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.080 19.093 8.367 1.00 0.80 C ATOM 0 H THR A 52 -3.594 17.708 5.015 1.00 0.38 H new ATOM 0 HA THR A 52 -4.176 20.223 6.421 1.00 0.45 H new ATOM 0 HB THR A 52 -1.558 19.575 6.952 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.537 17.581 5.945 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.381 18.672 9.090 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.270 20.138 8.613 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.017 18.536 8.401 1.00 0.80 H new ATOM 535 N ASP A 53 -1.995 21.475 5.442 1.00 0.40 N ATOM 536 CA ASP A 53 -1.213 22.398 4.619 1.00 0.41 C ATOM 537 C ASP A 53 -0.006 21.699 3.999 1.00 0.39 C ATOM 538 O ASP A 53 0.528 22.144 2.983 1.00 0.52 O ATOM 539 CB ASP A 53 -0.751 23.593 5.459 1.00 0.52 C ATOM 540 CG ASP A 53 0.294 23.216 6.492 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.026 22.319 7.317 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.387 23.819 6.488 1.00 0.74 O ATOM 0 H ASP A 53 -1.975 21.690 6.439 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.853 22.752 3.811 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.343 24.359 4.799 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.612 24.032 5.963 1.00 0.52 H new ATOM 547 N ASP A 54 0.407 20.595 4.603 1.00 0.42 N ATOM 548 CA ASP A 54 1.541 19.822 4.108 1.00 0.55 C ATOM 549 C ASP A 54 1.149 19.020 2.870 1.00 0.45 C ATOM 550 O ASP A 54 1.987 18.358 2.255 1.00 0.52 O ATOM 551 CB ASP A 54 2.072 18.886 5.194 1.00 0.73 C ATOM 552 CG ASP A 54 0.969 18.171 5.947 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.025 17.760 5.312 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.086 18.029 7.185 1.00 1.10 O ATOM 0 H ASP A 54 -0.028 20.211 5.442 1.00 0.42 H new ATOM 0 HA ASP A 54 2.331 20.521 3.834 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.732 18.148 4.739 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.673 19.460 5.899 1.00 0.73 H new ATOM 559 N SER A 55 -0.140 19.094 2.528 1.00 0.36 N ATOM 560 CA SER A 55 -0.700 18.413 1.364 1.00 0.40 C ATOM 561 C SER A 55 -0.748 16.899 1.560 1.00 0.37 C ATOM 562 O SER A 55 -0.799 16.137 0.591 1.00 0.52 O ATOM 563 CB SER A 55 0.092 18.779 0.111 1.00 0.57 C ATOM 564 OG SER A 55 0.292 20.180 0.049 1.00 0.66 O ATOM 0 H SER A 55 -0.827 19.632 3.056 1.00 0.36 H new ATOM 0 HA SER A 55 -1.729 18.750 1.240 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.054 18.267 0.118 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.442 18.441 -0.777 1.00 0.57 H new ATOM 0 HG SER A 55 0.802 20.402 -0.758 1.00 0.66 H new ATOM 570 N LEU A 56 -0.740 16.470 2.816 1.00 0.28 N ATOM 571 CA LEU A 56 -0.809 15.054 3.137 1.00 0.31 C ATOM 572 C LEU A 56 -2.246 14.674 3.480 1.00 0.27 C ATOM 573 O LEU A 56 -2.948 15.419 4.167 1.00 0.30 O ATOM 574 CB LEU A 56 0.120 14.717 4.309 1.00 0.38 C ATOM 575 CG LEU A 56 1.592 15.095 4.113 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.387 14.803 5.373 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.186 14.352 2.923 1.00 0.48 C ATOM 0 H LEU A 56 -0.686 17.085 3.628 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.483 14.483 2.268 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.251 15.222 5.201 1.00 0.38 H new ATOM 0 HB3 LEU A 56 0.060 13.646 4.501 1.00 0.38 H new ATOM 0 HG LEU A 56 1.646 16.164 3.909 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.430 15.077 5.217 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.980 15.382 6.202 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.322 13.740 5.606 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.232 14.635 2.802 1.00 0.48 H new ATOM 0 HD22 LEU A 56 2.119 13.278 3.094 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.633 14.611 2.020 1.00 0.48 H new ATOM 589 N ILE A 57 -2.684 13.523 2.989 1.00 0.27 N ATOM 590 CA ILE A 57 -4.041 13.057 3.241 1.00 0.26 C ATOM 591 C ILE A 57 -4.122 12.306 4.565 1.00 0.24 C ATOM 592 O ILE A 57 -3.473 11.276 4.750 1.00 0.29 O ATOM 593 CB ILE A 57 -4.544 12.140 2.107 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.416 12.842 0.751 1.00 0.45 C ATOM 595 CG2 ILE A 57 -5.985 11.722 2.362 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.230 14.119 0.640 1.00 0.57 C ATOM 0 H ILE A 57 -2.121 12.896 2.415 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.677 13.941 3.286 1.00 0.26 H new ATOM 0 HB ILE A 57 -3.925 11.243 2.087 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.366 13.075 0.571 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.729 12.154 -0.034 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.325 11.075 1.553 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.046 11.183 3.307 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.618 12.608 2.409 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.087 14.557 -0.348 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.286 13.891 0.787 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.902 14.827 1.401 1.00 0.57 H new ATOM 608 N HIS A 58 -4.928 12.824 5.479 1.00 0.25 N ATOM 609 CA HIS A 58 -5.094 12.215 6.787 1.00 0.27 C ATOM 610 C HIS A 58 -6.343 11.347 6.833 1.00 0.27 C ATOM 611 O HIS A 58 -7.465 11.858 6.877 1.00 0.33 O ATOM 612 CB HIS A 58 -5.188 13.285 7.879 1.00 0.32 C ATOM 613 CG HIS A 58 -3.872 13.857 8.296 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.286 13.586 9.515 1.00 0.51 N ATOM 615 CD2 HIS A 58 -3.034 14.708 7.660 1.00 0.48 C ATOM 616 CE1 HIS A 58 -2.149 14.248 9.610 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.974 14.933 8.499 1.00 0.59 N ATOM 0 H HIS A 58 -5.480 13.670 5.336 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.219 11.591 6.967 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.826 14.094 7.524 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.676 12.854 8.753 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.672 12.970 10.231 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.174 15.131 6.676 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.476 14.231 10.455 1.00 0.61 H new ATOM 626 N PHE A 59 -6.142 10.042 6.796 1.00 0.27 N ATOM 627 CA PHE A 59 -7.241 9.093 6.878 1.00 0.28 C ATOM 628 C PHE A 59 -7.240 8.521 8.283 1.00 0.31 C ATOM 629 O PHE A 59 -6.478 7.602 8.591 1.00 0.36 O ATOM 630 CB PHE A 59 -7.079 7.979 5.841 1.00 0.31 C ATOM 631 CG PHE A 59 -8.365 7.286 5.485 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.242 7.854 4.579 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.692 6.065 6.051 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.421 7.220 4.245 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.869 5.425 5.721 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.736 6.003 4.815 1.00 0.94 C ATOM 0 H PHE A 59 -5.221 9.612 6.709 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.188 9.590 6.667 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.642 8.400 4.936 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.373 7.241 6.222 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.001 8.805 4.128 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.017 5.608 6.760 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.098 7.676 3.537 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.112 4.474 6.171 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.658 5.504 4.553 1.00 0.94 H new ATOM 646 N CYS A 60 -8.070 9.088 9.141 1.00 0.33 N ATOM 647 CA CYS A 60 -8.118 8.664 10.529 1.00 0.38 C ATOM 648 C CYS A 60 -9.496 8.158 10.941 1.00 0.38 C ATOM 649 O CYS A 60 -10.503 8.428 10.287 1.00 0.40 O ATOM 650 CB CYS A 60 -7.711 9.832 11.433 1.00 0.43 C ATOM 651 SG CYS A 60 -6.705 11.095 10.614 1.00 0.46 S ATOM 0 H CYS A 60 -8.717 9.840 8.903 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.422 7.833 10.639 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.612 10.302 11.827 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.157 9.440 12.286 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.445 10.807 10.757 1.00 0.46 H new ATOM 657 N TRP A 61 -9.514 7.410 12.034 1.00 0.39 N ATOM 658 CA TRP A 61 -10.738 6.865 12.595 1.00 0.39 C ATOM 659 C TRP A 61 -10.957 7.486 13.966 1.00 0.42 C ATOM 660 O TRP A 61 -10.127 7.325 14.867 1.00 0.45 O ATOM 661 CB TRP A 61 -10.644 5.338 12.704 1.00 0.40 C ATOM 662 CG TRP A 61 -11.940 4.675 13.058 1.00 0.41 C ATOM 663 CD1 TRP A 61 -12.973 4.400 12.213 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.343 4.203 14.349 1.00 0.43 C ATOM 665 NE1 TRP A 61 -13.992 3.783 12.895 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.630 3.651 14.209 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.740 4.196 15.608 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.324 3.092 15.280 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.429 3.641 16.668 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.708 3.098 16.499 1.00 0.52 C ATOM 0 H TRP A 61 -8.675 7.164 12.558 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.581 7.100 11.945 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.289 4.937 11.755 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -9.898 5.082 13.457 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.988 4.634 11.159 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.875 3.473 12.489 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.755 4.616 15.750 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.310 2.671 15.151 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -11.972 3.626 17.647 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.219 2.675 17.351 1.00 0.52 H new ATOM 681 N LYS A 62 -12.052 8.207 14.121 1.00 0.46 N ATOM 682 CA LYS A 62 -12.349 8.868 15.379 1.00 0.50 C ATOM 683 C LYS A 62 -13.524 8.200 16.080 1.00 0.51 C ATOM 684 O LYS A 62 -14.551 7.929 15.460 1.00 0.51 O ATOM 685 CB LYS A 62 -12.660 10.343 15.122 1.00 0.57 C ATOM 686 CG LYS A 62 -12.709 11.194 16.380 1.00 0.63 C ATOM 687 CD LYS A 62 -13.337 12.551 16.108 1.00 0.75 C ATOM 688 CE LYS A 62 -13.012 13.553 17.206 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.686 14.857 16.981 1.00 1.04 N ATOM 0 H LYS A 62 -12.751 8.350 13.392 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.477 8.788 16.029 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.905 10.751 14.449 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.618 10.417 14.608 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.280 10.675 17.150 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -11.700 11.330 16.769 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.980 12.932 15.151 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.418 12.441 16.024 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -13.318 13.147 18.170 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -11.934 13.705 17.252 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.440 15.512 17.750 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.375 15.256 16.073 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.716 14.717 16.963 1.00 1.04 H new ATOM 703 N ASP A 63 -13.359 7.917 17.365 1.00 0.53 N ATOM 704 CA ASP A 63 -14.421 7.305 18.155 1.00 0.55 C ATOM 705 C ASP A 63 -15.483 8.357 18.463 1.00 0.57 C ATOM 706 O ASP A 63 -15.159 9.456 18.917 1.00 0.62 O ATOM 707 CB ASP A 63 -13.853 6.705 19.443 1.00 0.61 C ATOM 708 CG ASP A 63 -14.932 6.374 20.456 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.811 5.544 20.156 1.00 1.09 O ATOM 710 OD2 ASP A 63 -14.905 6.952 21.562 1.00 0.92 O ATOM 0 H ASP A 63 -12.500 8.101 17.883 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.878 6.494 17.587 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.295 5.800 19.203 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.147 7.407 19.886 1.00 0.61 H new ATOM 715 N ARG A 64 -16.744 8.014 18.231 1.00 0.58 N ATOM 716 CA ARG A 64 -17.855 8.947 18.427 1.00 0.61 C ATOM 717 C ARG A 64 -18.322 9.026 19.881 1.00 0.66 C ATOM 718 O ARG A 64 -19.373 9.604 20.170 1.00 0.75 O ATOM 719 CB ARG A 64 -19.022 8.548 17.521 1.00 0.63 C ATOM 720 CG ARG A 64 -18.714 8.686 16.040 1.00 0.63 C ATOM 721 CD ARG A 64 -19.775 8.022 15.179 1.00 0.65 C ATOM 722 NE ARG A 64 -21.094 8.624 15.361 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.244 7.954 15.282 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.248 6.653 15.016 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.395 8.595 15.456 1.00 1.14 N ATOM 0 H ARG A 64 -17.028 7.090 17.904 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.492 9.940 18.163 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.298 7.515 17.732 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.887 9.165 17.763 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.644 9.742 15.780 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.742 8.240 15.828 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.487 8.095 14.130 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -19.826 6.961 15.423 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.138 9.623 15.562 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.367 6.159 14.871 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.132 6.147 14.957 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.397 9.597 15.649 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.277 8.085 15.396 1.00 1.14 H new ATOM 739 N THR A 65 -17.558 8.459 20.795 1.00 0.68 N ATOM 740 CA THR A 65 -17.921 8.500 22.201 1.00 0.74 C ATOM 741 C THR A 65 -16.953 9.378 22.992 1.00 0.75 C ATOM 742 O THR A 65 -17.352 10.373 23.600 1.00 0.83 O ATOM 743 CB THR A 65 -17.965 7.087 22.809 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.858 6.259 22.053 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.424 7.129 24.258 1.00 0.93 C ATOM 0 H THR A 65 -16.688 7.967 20.593 1.00 0.68 H new ATOM 0 HA THR A 65 -18.919 8.934 22.265 1.00 0.74 H new ATOM 0 HB THR A 65 -16.957 6.673 22.775 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.881 5.360 22.444 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.446 6.117 24.662 1.00 0.93 H new ATOM 0 HG22 THR A 65 -17.733 7.738 24.841 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.423 7.562 24.311 1.00 0.93 H new ATOM 753 N SER A 66 -15.683 9.013 22.967 1.00 0.71 N ATOM 754 CA SER A 66 -14.662 9.762 23.682 1.00 0.75 C ATOM 755 C SER A 66 -14.138 10.912 22.828 1.00 0.73 C ATOM 756 O SER A 66 -13.702 11.941 23.350 1.00 0.79 O ATOM 757 CB SER A 66 -13.513 8.834 24.084 1.00 0.75 C ATOM 758 OG SER A 66 -13.057 8.067 22.977 1.00 0.75 O ATOM 0 H SER A 66 -15.333 8.201 22.459 1.00 0.71 H new ATOM 0 HA SER A 66 -15.110 10.181 24.583 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.689 9.424 24.484 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.843 8.167 24.880 1.00 0.75 H new ATOM 0 HG SER A 66 -13.746 7.419 22.722 1.00 0.75 H new ATOM 764 N GLY A 67 -14.199 10.733 21.512 1.00 0.67 N ATOM 765 CA GLY A 67 -13.719 11.745 20.599 1.00 0.67 C ATOM 766 C GLY A 67 -12.233 11.602 20.354 1.00 0.65 C ATOM 767 O GLY A 67 -11.569 12.543 19.916 1.00 0.70 O ATOM 0 H GLY A 67 -14.576 9.898 21.063 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.255 11.668 19.653 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -13.929 12.734 21.005 1.00 0.67 H new ATOM 771 N ASN A 68 -11.712 10.416 20.643 1.00 0.63 N ATOM 772 CA ASN A 68 -10.296 10.136 20.466 1.00 0.63 C ATOM 773 C ASN A 68 -10.029 9.493 19.110 1.00 0.58 C ATOM 774 O ASN A 68 -10.839 8.709 18.614 1.00 0.58 O ATOM 775 CB ASN A 68 -9.780 9.214 21.579 1.00 0.68 C ATOM 776 CG ASN A 68 -9.419 9.962 22.849 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.994 11.004 23.160 1.00 1.01 O ATOM 778 ND2 ASN A 68 -8.464 9.432 23.596 1.00 1.01 N ATOM 0 H ASN A 68 -12.254 9.630 21.003 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.766 11.087 20.515 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.541 8.468 21.807 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.903 8.675 21.220 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -8.182 9.889 24.463 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -8.010 8.566 23.305 1.00 1.01 H new ATOM 785 N VAL A 69 -8.897 9.843 18.511 1.00 0.56 N ATOM 786 CA VAL A 69 -8.500 9.292 17.225 1.00 0.53 C ATOM 787 C VAL A 69 -7.533 8.135 17.450 1.00 0.51 C ATOM 788 O VAL A 69 -6.377 8.344 17.820 1.00 0.59 O ATOM 789 CB VAL A 69 -7.832 10.361 16.331 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.535 9.801 14.950 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.710 11.600 16.227 1.00 0.63 C ATOM 0 H VAL A 69 -8.234 10.512 18.901 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.396 8.940 16.713 1.00 0.53 H new ATOM 0 HB VAL A 69 -6.887 10.647 16.794 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.065 10.571 14.338 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.862 8.948 15.040 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.465 9.481 14.479 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.221 12.340 15.593 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.672 11.329 15.792 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.866 12.020 17.221 1.00 0.63 H new ATOM 801 N GLU A 70 -8.012 6.918 17.246 1.00 0.49 N ATOM 802 CA GLU A 70 -7.188 5.734 17.460 1.00 0.51 C ATOM 803 C GLU A 70 -6.262 5.466 16.280 1.00 0.50 C ATOM 804 O GLU A 70 -5.066 5.224 16.459 1.00 0.62 O ATOM 805 CB GLU A 70 -8.064 4.509 17.706 1.00 0.55 C ATOM 806 CG GLU A 70 -9.026 4.675 18.866 1.00 0.81 C ATOM 807 CD GLU A 70 -9.689 3.371 19.253 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.964 2.548 18.354 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.940 3.158 20.457 1.00 0.71 O ATOM 0 H GLU A 70 -8.963 6.722 16.934 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.573 5.927 18.339 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.632 4.291 16.802 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.424 3.647 17.896 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.489 5.076 19.726 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -9.791 5.404 18.599 1.00 0.81 H new ATOM 816 N ASP A 71 -6.815 5.503 15.080 1.00 0.47 N ATOM 817 CA ASP A 71 -6.035 5.245 13.876 1.00 0.46 C ATOM 818 C ASP A 71 -5.849 6.516 13.066 1.00 0.43 C ATOM 819 O ASP A 71 -6.799 7.264 12.848 1.00 0.46 O ATOM 820 CB ASP A 71 -6.711 4.170 13.019 1.00 0.51 C ATOM 821 CG ASP A 71 -6.697 2.805 13.679 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.633 2.149 13.678 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.744 2.378 14.210 1.00 0.61 O ATOM 0 H ASP A 71 -7.800 5.709 14.911 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.053 4.886 14.183 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.742 4.463 12.821 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.206 4.109 12.055 1.00 0.51 H new ATOM 828 N ASP A 72 -4.618 6.752 12.633 1.00 0.43 N ATOM 829 CA ASP A 72 -4.277 7.930 11.839 1.00 0.42 C ATOM 830 C ASP A 72 -3.155 7.589 10.868 1.00 0.42 C ATOM 831 O ASP A 72 -2.011 7.382 11.277 1.00 0.52 O ATOM 832 CB ASP A 72 -3.857 9.092 12.751 1.00 0.48 C ATOM 833 CG ASP A 72 -3.175 10.223 12.001 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.875 10.988 11.299 1.00 0.99 O ATOM 835 OD2 ASP A 72 -1.939 10.369 12.120 1.00 1.05 O ATOM 0 H ASP A 72 -3.828 6.135 12.820 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.156 8.240 11.274 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.738 9.482 13.261 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.183 8.716 13.521 1.00 0.48 H new ATOM 840 N LEU A 73 -3.484 7.502 9.589 1.00 0.36 N ATOM 841 CA LEU A 73 -2.490 7.178 8.575 1.00 0.38 C ATOM 842 C LEU A 73 -2.537 8.172 7.425 1.00 0.34 C ATOM 843 O LEU A 73 -3.564 8.809 7.184 1.00 0.42 O ATOM 844 CB LEU A 73 -2.703 5.758 8.053 1.00 0.44 C ATOM 845 CG LEU A 73 -2.438 4.648 9.073 1.00 0.66 C ATOM 846 CD1 LEU A 73 -2.916 3.312 8.537 1.00 0.93 C ATOM 847 CD2 LEU A 73 -0.956 4.581 9.420 1.00 0.92 C ATOM 0 H LEU A 73 -4.427 7.650 9.228 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.505 7.240 9.039 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.730 5.667 7.698 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.053 5.602 7.192 1.00 0.44 H new ATOM 0 HG LEU A 73 -2.994 4.877 9.982 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -2.720 2.533 9.274 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -3.986 3.362 8.337 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.385 3.079 7.614 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -0.788 3.786 10.146 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.380 4.376 8.518 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.638 5.533 9.845 1.00 0.92 H new ATOM 859 N ILE A 74 -1.412 8.320 6.738 1.00 0.29 N ATOM 860 CA ILE A 74 -1.313 9.239 5.614 1.00 0.28 C ATOM 861 C ILE A 74 -1.501 8.491 4.297 1.00 0.30 C ATOM 862 O ILE A 74 -0.774 7.545 3.994 1.00 0.51 O ATOM 863 CB ILE A 74 0.043 9.971 5.605 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.410 10.441 7.016 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.005 11.151 4.649 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.838 10.925 7.140 1.00 0.59 C ATOM 0 H ILE A 74 -0.551 7.812 6.942 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.104 9.981 5.725 1.00 0.28 H new ATOM 0 HB ILE A 74 0.811 9.276 5.265 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.264 11.246 7.309 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.251 9.621 7.716 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.959 11.660 4.651 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.225 10.795 3.643 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.783 11.845 4.967 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.027 11.242 8.166 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.520 10.116 6.879 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.997 11.766 6.465 1.00 0.59 H new ATOM 878 N ILE A 75 -2.473 8.915 3.509 1.00 0.24 N ATOM 879 CA ILE A 75 -2.761 8.264 2.240 1.00 0.23 C ATOM 880 C ILE A 75 -2.085 8.976 1.072 1.00 0.24 C ATOM 881 O ILE A 75 -1.981 10.201 1.052 1.00 0.26 O ATOM 882 CB ILE A 75 -4.281 8.195 1.982 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.003 7.569 3.180 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.581 7.409 0.710 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.582 6.146 3.477 1.00 0.31 C ATOM 0 H ILE A 75 -3.078 9.708 3.724 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.361 7.253 2.310 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.648 9.213 1.849 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.821 8.183 4.062 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.077 7.588 2.995 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.659 7.374 0.549 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.103 7.896 -0.140 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.196 6.394 0.810 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.138 5.774 4.338 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.790 5.517 2.612 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.514 6.121 3.696 1.00 0.31 H new ATOM 897 N PHE A 76 -1.608 8.184 0.118 1.00 0.27 N ATOM 898 CA PHE A 76 -0.952 8.697 -1.074 1.00 0.31 C ATOM 899 C PHE A 76 -1.491 7.956 -2.293 1.00 0.32 C ATOM 900 O PHE A 76 -1.796 6.766 -2.205 1.00 0.35 O ATOM 901 CB PHE A 76 0.565 8.522 -0.985 1.00 0.34 C ATOM 902 CG PHE A 76 1.187 9.239 0.181 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.620 10.548 0.059 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.335 8.598 1.398 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.191 11.201 1.133 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.904 9.240 2.472 1.00 0.50 C ATOM 907 CZ PHE A 76 2.334 10.547 2.343 1.00 0.58 C ATOM 0 H PHE A 76 -1.667 7.166 0.152 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.161 9.763 -1.162 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.796 7.459 -0.912 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.019 8.884 -1.907 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.510 11.063 -0.884 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.998 7.578 1.506 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.526 12.222 1.028 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.015 8.724 3.414 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.780 11.056 3.184 1.00 0.58 H new ATOM 917 N PRO A 77 -1.609 8.636 -3.443 1.00 0.36 N ATOM 918 CA PRO A 77 -2.140 8.034 -4.674 1.00 0.38 C ATOM 919 C PRO A 77 -1.246 6.947 -5.273 1.00 0.33 C ATOM 920 O PRO A 77 -0.128 6.705 -4.808 1.00 0.33 O ATOM 921 CB PRO A 77 -2.240 9.218 -5.646 1.00 0.45 C ATOM 922 CG PRO A 77 -2.073 10.447 -4.821 1.00 0.55 C ATOM 923 CD PRO A 77 -1.244 10.047 -3.641 1.00 0.44 C ATOM 0 HA PRO A 77 -3.085 7.529 -4.473 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.469 9.157 -6.414 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.202 9.221 -6.159 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.583 11.236 -5.392 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.040 10.837 -4.503 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.178 10.164 -3.838 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.474 10.650 -2.763 1.00 0.44 H new ATOM 931 N ASP A 78 -1.787 6.286 -6.305 1.00 0.40 N ATOM 932 CA ASP A 78 -1.112 5.216 -7.061 1.00 0.46 C ATOM 933 C ASP A 78 -1.043 3.901 -6.280 1.00 0.45 C ATOM 934 O ASP A 78 -1.196 2.832 -6.865 1.00 0.60 O ATOM 935 CB ASP A 78 0.312 5.605 -7.517 1.00 0.53 C ATOM 936 CG ASP A 78 0.412 6.981 -8.139 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.313 7.261 -9.122 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.244 7.786 -7.662 1.00 1.36 O ATOM 0 H ASP A 78 -2.727 6.483 -6.647 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.731 5.071 -7.947 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.982 5.558 -6.658 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.665 4.867 -8.237 1.00 0.53 H new ATOM 943 N ASP A 79 -0.824 3.965 -4.970 1.00 0.53 N ATOM 944 CA ASP A 79 -0.703 2.742 -4.171 1.00 0.61 C ATOM 945 C ASP A 79 -1.819 2.582 -3.139 1.00 0.59 C ATOM 946 O ASP A 79 -1.646 1.879 -2.139 1.00 1.11 O ATOM 947 CB ASP A 79 0.653 2.702 -3.465 1.00 0.80 C ATOM 948 CG ASP A 79 1.722 1.996 -4.276 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.423 0.941 -4.885 1.00 1.44 O ATOM 950 OD2 ASP A 79 2.869 2.482 -4.302 1.00 1.74 O ATOM 0 H ASP A 79 -0.728 4.833 -4.443 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.790 1.911 -4.870 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.978 3.721 -3.255 1.00 0.80 H new ATOM 0 HB3 ASP A 79 0.542 2.199 -2.504 1.00 0.80 H new ATOM 955 N CYS A 80 -2.961 3.202 -3.381 1.00 0.50 N ATOM 956 CA CYS A 80 -4.089 3.101 -2.460 1.00 0.46 C ATOM 957 C CYS A 80 -5.396 2.897 -3.222 1.00 0.43 C ATOM 958 O CYS A 80 -5.552 3.397 -4.338 1.00 0.60 O ATOM 959 CB CYS A 80 -4.181 4.352 -1.583 1.00 0.63 C ATOM 960 SG CYS A 80 -2.754 4.601 -0.500 1.00 0.90 S ATOM 0 H CYS A 80 -3.135 3.780 -4.203 1.00 0.50 H new ATOM 0 HA CYS A 80 -3.924 2.235 -1.819 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.293 5.226 -2.225 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.081 4.289 -0.971 1.00 0.63 H new ATOM 0 HG CYS A 80 -1.965 5.493 -1.020 1.00 0.90 H new ATOM 966 N GLU A 81 -6.326 2.149 -2.622 1.00 0.34 N ATOM 967 CA GLU A 81 -7.621 1.882 -3.246 1.00 0.39 C ATOM 968 C GLU A 81 -8.615 1.292 -2.244 1.00 0.36 C ATOM 969 O GLU A 81 -8.391 0.212 -1.686 1.00 0.45 O ATOM 970 CB GLU A 81 -7.468 0.925 -4.433 1.00 0.49 C ATOM 971 CG GLU A 81 -8.779 0.643 -5.152 1.00 0.74 C ATOM 972 CD GLU A 81 -8.663 -0.473 -6.166 1.00 0.94 C ATOM 973 OE1 GLU A 81 -8.113 -1.538 -5.819 1.00 1.15 O ATOM 974 OE2 GLU A 81 -9.131 -0.292 -7.309 1.00 1.32 O ATOM 0 H GLU A 81 -6.205 1.719 -1.705 1.00 0.34 H new ATOM 0 HA GLU A 81 -8.009 2.837 -3.601 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.756 1.348 -5.142 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.046 -0.016 -4.080 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.542 0.383 -4.418 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -9.115 1.550 -5.654 1.00 0.74 H new ATOM 981 N PHE A 82 -9.717 1.999 -2.046 1.00 0.34 N ATOM 982 CA PHE A 82 -10.772 1.567 -1.138 1.00 0.32 C ATOM 983 C PHE A 82 -11.815 0.778 -1.921 1.00 0.33 C ATOM 984 O PHE A 82 -12.178 1.158 -3.036 1.00 0.42 O ATOM 985 CB PHE A 82 -11.411 2.795 -0.473 1.00 0.35 C ATOM 986 CG PHE A 82 -12.212 2.498 0.765 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.716 1.664 1.752 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.458 3.075 0.948 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.446 1.408 2.897 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.196 2.821 2.088 1.00 0.47 C ATOM 991 CZ PHE A 82 -13.689 1.988 3.064 1.00 0.43 C ATOM 0 H PHE A 82 -9.906 2.888 -2.509 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.356 0.927 -0.360 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.623 3.503 -0.217 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.059 3.287 -1.198 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.746 1.207 1.626 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.858 3.732 0.190 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.046 0.756 3.660 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.168 3.274 2.215 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.263 1.790 3.957 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.290 -0.323 -1.359 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.278 -1.150 -2.043 1.00 0.38 C ATOM 1003 C LYS A 83 -14.118 -1.943 -1.054 1.00 0.37 C ATOM 1004 O LYS A 83 -13.766 -2.060 0.119 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.577 -2.099 -3.021 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.259 -2.649 -2.490 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.491 -3.403 -3.562 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.043 -3.623 -3.155 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.247 -2.370 -3.247 1.00 1.44 N ATOM 0 H LYS A 83 -12.012 -0.664 -0.439 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.947 -0.491 -2.596 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.244 -2.931 -3.250 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.392 -1.572 -3.957 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.648 -1.829 -2.114 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -11.455 -3.313 -1.648 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -10.969 -4.365 -3.746 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.527 -2.845 -4.498 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.006 -4.003 -2.134 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -8.597 -4.385 -3.795 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -7.234 -2.596 -3.178 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.437 -1.904 -4.157 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.513 -1.732 -2.470 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.231 -2.484 -1.533 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.127 -3.270 -0.696 1.00 0.43 C ATOM 1025 C ARG A 84 -15.852 -4.759 -0.870 1.00 0.44 C ATOM 1026 O ARG A 84 -15.494 -5.206 -1.961 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.590 -2.968 -1.046 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.599 -3.662 -0.138 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.012 -3.582 -0.697 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.178 -4.404 -1.897 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.232 -5.189 -2.131 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.219 -5.270 -1.243 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.296 -5.892 -3.262 1.00 0.96 N ATOM 0 H ARG A 84 -15.535 -2.392 -2.502 1.00 0.42 H new ATOM 0 HA ARG A 84 -15.948 -2.997 0.344 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.751 -1.891 -0.995 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.776 -3.269 -2.077 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.316 -4.707 -0.013 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.573 -3.204 0.851 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.721 -3.906 0.065 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.250 -2.545 -0.933 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.440 -4.375 -2.600 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.173 -4.731 -0.378 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.022 -5.871 -1.427 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.541 -5.829 -3.945 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.100 -6.493 -3.444 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.014 -5.516 0.205 1.00 0.45 N ATOM 1048 CA VAL A 85 -15.807 -6.956 0.160 1.00 0.49 C ATOM 1049 C VAL A 85 -17.067 -7.640 -0.364 1.00 0.55 C ATOM 1050 O VAL A 85 -18.131 -7.534 0.246 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.456 -7.523 1.554 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -14.997 -8.968 1.448 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.392 -6.677 2.233 1.00 0.50 C ATOM 0 H VAL A 85 -16.288 -5.157 1.120 1.00 0.45 H new ATOM 0 HA VAL A 85 -14.968 -7.153 -0.508 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.358 -7.491 2.165 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.755 -9.347 2.441 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -15.794 -9.572 1.013 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.113 -9.023 0.813 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.163 -7.097 3.212 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.489 -6.668 1.622 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.759 -5.658 2.353 1.00 0.50 H new ATOM 1063 N PRO A 86 -16.973 -8.341 -1.502 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.125 -9.021 -2.103 1.00 0.69 C ATOM 1065 C PRO A 86 -18.554 -10.251 -1.311 1.00 0.68 C ATOM 1066 O PRO A 86 -19.727 -10.628 -1.316 1.00 0.77 O ATOM 1067 CB PRO A 86 -17.618 -9.416 -3.489 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.139 -9.512 -3.355 1.00 0.80 C ATOM 1069 CD PRO A 86 -15.741 -8.521 -2.296 1.00 0.64 C ATOM 0 HA PRO A 86 -19.009 -8.384 -2.126 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.046 -10.366 -3.808 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -17.898 -8.673 -4.236 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -15.840 -10.522 -3.074 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -15.648 -9.286 -4.302 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -14.922 -8.897 -1.684 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.406 -7.581 -2.734 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.604 -10.861 -0.620 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.880 -12.047 0.170 1.00 0.70 C ATOM 1079 C GLN A 87 -18.130 -11.674 1.628 1.00 0.70 C ATOM 1080 O GLN A 87 -17.218 -11.706 2.455 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.714 -13.035 0.070 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.228 -13.277 -1.353 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.283 -13.908 -2.238 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.050 -13.213 -2.905 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -17.330 -15.229 -2.251 1.00 1.21 N ATOM 0 H GLN A 87 -16.632 -10.552 -0.591 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.778 -12.522 -0.225 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.883 -12.662 0.668 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.019 -13.986 0.506 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.914 -12.329 -1.790 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -15.350 -13.922 -1.327 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -16.676 -15.768 -1.683 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.020 -15.709 -2.829 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.363 -11.294 1.928 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.738 -10.916 3.281 1.00 0.71 C ATOM 1096 C CYS A 88 -21.255 -10.970 3.446 1.00 0.71 C ATOM 1097 O CYS A 88 -21.989 -10.488 2.585 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.223 -9.512 3.608 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.202 -9.127 5.373 1.00 1.44 S ATOM 0 H CYS A 88 -20.123 -11.239 1.250 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.284 -11.624 3.974 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.213 -9.406 3.212 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.846 -8.779 3.095 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.282 -8.476 5.688 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.742 -11.572 4.547 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.179 -11.691 4.828 1.00 0.79 C ATOM 1107 C PRO A 89 -23.890 -10.341 4.885 1.00 0.74 C ATOM 1108 O PRO A 89 -25.013 -10.200 4.405 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.229 -12.372 6.200 1.00 0.88 C ATOM 1110 CG PRO A 89 -21.913 -13.045 6.355 1.00 0.92 C ATOM 1111 CD PRO A 89 -20.923 -12.209 5.598 1.00 0.81 C ATOM 0 HA PRO A 89 -23.689 -12.245 4.040 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.394 -11.644 6.994 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.047 -13.091 6.252 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -21.636 -13.120 7.406 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -21.947 -14.061 5.961 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.448 -11.468 6.241 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.126 -12.818 5.172 1.00 0.81 H new ATOM 1119 N SER A 90 -23.234 -9.347 5.472 1.00 0.71 N ATOM 1120 CA SER A 90 -23.819 -8.023 5.586 1.00 0.71 C ATOM 1121 C SER A 90 -23.761 -7.294 4.246 1.00 0.65 C ATOM 1122 O SER A 90 -24.754 -6.727 3.789 1.00 0.72 O ATOM 1123 CB SER A 90 -23.090 -7.229 6.664 1.00 0.75 C ATOM 1124 OG SER A 90 -21.699 -7.508 6.633 1.00 0.85 O ATOM 0 H SER A 90 -22.301 -9.435 5.874 1.00 0.71 H new ATOM 0 HA SER A 90 -24.867 -8.122 5.870 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.256 -6.162 6.513 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.495 -7.479 7.645 1.00 0.75 H new ATOM 0 HG SER A 90 -21.246 -6.989 7.330 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.591 -7.319 3.620 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.422 -6.666 2.336 1.00 0.60 C ATOM 1132 C GLY A 91 -22.131 -5.185 2.474 1.00 0.57 C ATOM 1133 O GLY A 91 -22.157 -4.447 1.492 1.00 0.64 O ATOM 0 H GLY A 91 -21.755 -7.780 3.979 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.607 -7.144 1.793 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.325 -6.802 1.741 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.850 -4.750 3.699 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.553 -3.347 3.968 1.00 0.51 C ATOM 1139 C ARG A 92 -20.162 -3.203 4.561 1.00 0.48 C ATOM 1140 O ARG A 92 -19.824 -2.186 5.170 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.588 -2.746 4.920 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.008 -2.779 4.381 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.919 -1.878 5.189 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.660 -0.467 4.935 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.076 0.514 5.725 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.771 0.241 6.823 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -24.806 1.772 5.414 1.00 0.60 N ATOM 0 H ARG A 92 -21.822 -5.351 4.523 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.593 -2.806 3.022 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.556 -3.287 5.866 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.314 -1.713 5.134 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.012 -2.464 3.338 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.386 -3.801 4.406 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.958 -2.104 4.949 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.785 -2.085 6.251 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.128 -0.219 4.101 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -25.987 -0.727 7.062 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.089 0.999 7.427 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.279 1.986 4.568 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.125 2.527 6.021 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.362 -4.240 4.383 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.002 -4.252 4.889 1.00 0.45 C ATOM 1163 C VAL A 93 -17.035 -3.849 3.787 1.00 0.41 C ATOM 1164 O VAL A 93 -16.941 -4.512 2.750 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.608 -5.641 5.438 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.131 -5.689 5.809 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.473 -6.000 6.635 1.00 0.56 C ATOM 0 H VAL A 93 -19.634 -5.090 3.888 1.00 0.47 H new ATOM 0 HA VAL A 93 -17.949 -3.537 5.710 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.777 -6.376 4.651 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.884 -6.679 6.192 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.527 -5.481 4.926 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -15.924 -4.942 6.575 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.184 -6.981 7.011 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.336 -5.256 7.419 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.520 -6.021 6.334 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.338 -2.751 4.011 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.376 -2.241 3.053 1.00 0.37 C ATOM 1179 C TYR A 94 -13.966 -2.474 3.578 1.00 0.35 C ATOM 1180 O TYR A 94 -13.769 -2.604 4.784 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.622 -0.750 2.794 1.00 0.38 C ATOM 1182 CG TYR A 94 -16.917 -0.447 2.058 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.151 -0.682 2.648 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.898 0.076 0.768 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.328 -0.411 1.979 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.072 0.352 0.091 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.286 0.106 0.701 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.459 0.373 0.034 1.00 0.53 O ATOM 0 H TYR A 94 -16.422 -2.190 4.858 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.492 -2.770 2.107 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.629 -0.224 3.749 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.788 -0.351 2.216 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.191 -1.084 3.649 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.950 0.270 0.288 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.278 -0.603 2.455 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.039 0.758 -0.909 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.306 0.318 -0.932 1.00 0.53 H new ATOM 1198 N VAL A 95 -12.992 -2.531 2.686 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.619 -2.772 3.093 1.00 0.33 C ATOM 1200 C VAL A 95 -10.644 -1.820 2.409 1.00 0.31 C ATOM 1201 O VAL A 95 -10.697 -1.604 1.193 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.199 -4.236 2.820 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.397 -4.602 1.357 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.754 -4.477 3.233 1.00 0.38 C ATOM 0 H VAL A 95 -13.125 -2.414 1.681 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.578 -2.587 4.166 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.841 -4.878 3.423 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.093 -5.636 1.196 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.448 -4.487 1.092 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.792 -3.945 0.732 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.486 -5.514 3.030 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.099 -3.815 2.667 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.642 -4.275 4.298 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.774 -1.233 3.209 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.757 -0.329 2.713 1.00 0.30 C ATOM 1216 C LEU A 96 -7.438 -1.085 2.595 1.00 0.30 C ATOM 1217 O LEU A 96 -6.686 -1.200 3.563 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.604 0.874 3.654 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.669 1.981 3.162 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.328 2.794 2.058 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.263 2.886 4.313 1.00 0.44 C ATOM 0 H LEU A 96 -9.753 -1.370 4.220 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.050 0.046 1.733 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.590 1.305 3.827 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.239 0.516 4.617 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.773 1.512 2.755 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.645 3.575 1.724 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.570 2.141 1.220 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.242 3.250 2.438 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.598 3.667 3.945 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.152 3.342 4.749 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.747 2.299 5.073 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.184 -1.639 1.418 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.962 -2.393 1.183 1.00 0.33 C ATOM 1235 C LYS A 97 -4.972 -1.566 0.383 1.00 0.26 C ATOM 1236 O LYS A 97 -5.276 -1.097 -0.717 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.253 -3.701 0.442 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.014 -4.566 0.259 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.129 -5.480 -0.948 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.833 -6.243 -1.191 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.683 -5.337 -1.468 1.00 0.89 N ATOM 0 H LYS A 97 -7.807 -1.580 0.612 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.530 -2.632 2.155 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.006 -4.265 0.993 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.678 -3.472 -0.535 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.139 -3.926 0.146 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.856 -5.167 1.155 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.946 -6.186 -0.796 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.377 -4.891 -1.831 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.607 -6.856 -0.319 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -3.967 -6.923 -2.032 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.327 -5.512 -2.429 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.994 -4.348 -1.388 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -1.925 -5.518 -0.780 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.789 -1.393 0.939 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.742 -0.632 0.285 1.00 0.30 C ATOM 1257 C PHE A 98 -2.035 -1.498 -0.753 1.00 0.33 C ATOM 1258 O PHE A 98 -2.044 -2.728 -0.659 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.734 -0.122 1.317 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.307 0.866 2.299 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.103 0.438 3.353 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -2.038 2.220 2.179 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.619 1.339 4.261 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.553 3.126 3.084 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.344 2.684 4.129 1.00 0.77 C ATOM 0 H PHE A 98 -3.527 -1.772 1.849 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.193 0.224 -0.217 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.331 -0.973 1.867 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.899 0.344 0.794 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.321 -0.614 3.463 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.418 2.571 1.367 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.238 0.991 5.075 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -2.339 4.179 2.976 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.745 3.391 4.840 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.445 -0.858 -1.750 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.734 -1.577 -2.796 1.00 0.48 C ATOM 1277 C LYS A 99 0.765 -1.535 -2.527 1.00 0.54 C ATOM 1278 O LYS A 99 1.555 -2.192 -3.210 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.040 -0.976 -4.170 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.521 -0.928 -4.511 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.746 -0.411 -5.922 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.213 -0.465 -6.312 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.452 0.100 -7.665 1.00 1.11 N ATOM 0 H LYS A 99 -1.444 0.156 -1.857 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.069 -2.614 -2.794 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.636 0.036 -4.210 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.521 -1.557 -4.932 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.951 -1.925 -4.414 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.040 -0.286 -3.799 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.387 0.616 -5.995 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.160 -1.004 -6.625 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.557 -1.499 -6.285 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.803 0.086 -5.580 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.466 0.043 -7.891 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.148 1.094 -7.685 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.910 -0.442 -8.368 1.00 1.11 H new ATOM 1297 N ALA A 100 1.147 -0.756 -1.523 1.00 0.55 N ATOM 1298 CA ALA A 100 2.542 -0.616 -1.151 1.00 0.63 C ATOM 1299 C ALA A 100 2.815 -1.294 0.185 1.00 0.62 C ATOM 1300 O ALA A 100 3.043 -0.633 1.196 1.00 1.36 O ATOM 1301 CB ALA A 100 2.934 0.855 -1.095 1.00 0.89 C ATOM 0 H ALA A 100 0.503 -0.210 -0.951 1.00 0.55 H new ATOM 0 HA ALA A 100 3.149 -1.106 -1.912 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.984 0.941 -0.814 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.781 1.310 -2.074 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.318 1.368 -0.357 1.00 0.89 H new ATOM 1307 N GLY A 101 2.762 -2.615 0.188 1.00 0.78 N ATOM 1308 CA GLY A 101 3.015 -3.364 1.400 1.00 0.83 C ATOM 1309 C GLY A 101 1.824 -4.195 1.831 1.00 0.73 C ATOM 1310 O GLY A 101 0.782 -4.197 1.171 1.00 1.06 O ATOM 0 H GLY A 101 2.547 -3.185 -0.630 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.873 -4.018 1.246 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.280 -2.674 2.201 1.00 0.83 H new ATOM 1314 N SER A 102 1.984 -4.899 2.937 1.00 0.51 N ATOM 1315 CA SER A 102 0.940 -5.750 3.476 1.00 0.48 C ATOM 1316 C SER A 102 0.140 -5.011 4.540 1.00 0.52 C ATOM 1317 O SER A 102 0.504 -5.010 5.716 1.00 1.13 O ATOM 1318 CB SER A 102 1.584 -7.001 4.071 1.00 0.60 C ATOM 1319 OG SER A 102 2.884 -6.701 4.562 1.00 1.00 O ATOM 0 H SER A 102 2.843 -4.896 3.487 1.00 0.51 H new ATOM 0 HA SER A 102 0.254 -6.032 2.677 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.963 -7.389 4.879 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.645 -7.782 3.313 1.00 0.60 H new ATOM 0 HG SER A 102 3.285 -7.510 4.942 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.946 -4.373 4.128 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.779 -3.632 5.059 1.00 0.42 C ATOM 1327 C LYS A 103 -3.239 -3.659 4.628 1.00 0.39 C ATOM 1328 O LYS A 103 -3.571 -3.305 3.494 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.290 -2.190 5.181 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.855 -1.473 6.392 1.00 0.60 C ATOM 1331 CD LYS A 103 -0.996 -0.292 6.800 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.357 0.195 8.193 1.00 0.93 C ATOM 1333 NZ LYS A 103 -1.211 -0.881 9.213 1.00 1.17 N ATOM 0 H LYS A 103 -1.268 -4.354 3.160 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.704 -4.113 6.034 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.201 -2.185 5.238 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.565 -1.642 4.280 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.865 -1.128 6.172 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.931 -2.172 7.225 1.00 0.60 H new ATOM 0 HD2 LYS A 103 0.056 -0.577 6.773 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.125 0.519 6.084 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.719 1.037 8.460 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.384 0.560 8.195 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -1.063 -0.454 10.150 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.073 -1.462 9.230 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.395 -1.479 8.972 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.100 -4.078 5.544 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.532 -4.164 5.283 1.00 0.38 C ATOM 1349 C ARG A 104 -6.327 -3.626 6.465 1.00 0.37 C ATOM 1350 O ARG A 104 -6.079 -4.001 7.613 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.947 -5.613 5.019 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.646 -6.103 3.614 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.991 -7.576 3.468 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.844 -8.056 2.098 1.00 1.11 N ATOM 1355 CZ ARG A 104 -4.796 -8.756 1.657 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -3.793 -9.062 2.474 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.764 -9.173 0.401 1.00 1.70 N ATOM 0 H ARG A 104 -3.829 -4.367 6.484 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.745 -3.561 4.400 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.439 -6.260 5.734 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.017 -5.712 5.204 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.215 -5.519 2.891 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.591 -5.948 3.389 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.348 -8.162 4.125 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -7.017 -7.739 3.798 1.00 0.86 H new ATOM 0 HE ARG A 104 -6.589 -7.843 1.435 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -3.819 -8.762 3.448 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -2.997 -9.597 2.126 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -5.539 -8.959 -0.227 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -3.965 -9.708 0.061 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.261 -2.732 6.186 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.110 -2.160 7.222 1.00 0.34 C ATOM 1373 C LEU A 105 -9.575 -2.330 6.838 1.00 0.33 C ATOM 1374 O LEU A 105 -10.029 -1.774 5.838 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.781 -0.680 7.440 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.513 -0.407 8.251 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.077 1.040 8.080 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.742 -0.729 9.722 1.00 0.82 C ATOM 0 H LEU A 105 -7.452 -2.384 5.246 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.924 -2.687 8.158 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.681 -0.199 6.467 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.624 -0.207 7.944 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.717 -1.052 7.880 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.174 1.219 8.663 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -5.875 1.237 7.027 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.870 1.702 8.427 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.830 -0.529 10.284 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.550 -0.108 10.109 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -7.010 -1.780 9.827 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.308 -3.109 7.616 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.715 -3.357 7.333 1.00 0.34 C ATOM 1392 C PHE A 106 -12.608 -2.386 8.100 1.00 0.35 C ATOM 1393 O PHE A 106 -12.387 -2.125 9.285 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.087 -4.800 7.691 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.440 -5.837 6.813 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.153 -6.280 7.073 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.124 -6.375 5.736 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.561 -7.238 6.273 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.538 -7.335 4.933 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.253 -7.766 5.202 1.00 0.52 C ATOM 0 H PHE A 106 -9.954 -3.581 8.448 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.873 -3.202 6.266 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.806 -4.990 8.727 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.170 -4.911 7.629 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.607 -5.872 7.910 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.128 -6.040 5.521 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.557 -7.574 6.486 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.083 -7.748 4.097 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.791 -8.515 4.575 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.605 -1.848 7.410 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.550 -0.908 8.002 1.00 0.37 C ATOM 1412 C PHE A 107 -15.971 -1.260 7.578 1.00 0.39 C ATOM 1413 O PHE A 107 -16.227 -1.504 6.398 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.243 0.531 7.562 1.00 0.36 C ATOM 1415 CG PHE A 107 -12.896 1.047 7.990 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.705 1.556 9.265 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.822 1.029 7.114 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.468 2.035 9.658 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.586 1.507 7.501 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.406 2.008 8.774 1.00 0.46 C ATOM 0 H PHE A 107 -13.782 -2.050 6.426 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.456 -0.977 9.086 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.309 0.586 6.475 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.013 1.191 7.962 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.532 1.579 9.960 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -11.954 0.636 6.117 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.332 2.429 10.654 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.759 1.489 6.807 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.438 2.378 9.079 1.00 0.46 H new ATOM 1430 N TRP A 108 -16.894 -1.296 8.528 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.282 -1.598 8.212 1.00 0.43 C ATOM 1432 C TRP A 108 -19.140 -0.351 8.390 1.00 0.45 C ATOM 1433 O TRP A 108 -19.117 0.296 9.439 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.817 -2.780 9.042 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.822 -2.584 10.536 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.772 -2.751 11.393 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.946 -2.216 11.350 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.170 -2.493 12.684 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.500 -2.162 12.684 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.282 -1.912 11.077 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.345 -1.831 13.742 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.120 -1.585 12.128 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.648 -1.542 13.444 1.00 0.74 C ATOM 0 H TRP A 108 -16.709 -1.121 9.516 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.334 -1.907 7.168 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.836 -2.994 8.719 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.218 -3.661 8.812 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.774 -3.043 11.100 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.572 -2.540 13.509 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.654 -1.932 10.063 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.984 -1.804 14.760 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.157 -1.359 11.929 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.326 -1.275 14.241 1.00 0.74 H new ATOM 1454 N MET A 109 -19.873 -0.009 7.337 1.00 0.46 N ATOM 1455 CA MET A 109 -20.731 1.174 7.329 1.00 0.48 C ATOM 1456 C MET A 109 -21.771 1.130 8.443 1.00 0.50 C ATOM 1457 O MET A 109 -22.541 0.173 8.556 1.00 0.51 O ATOM 1458 CB MET A 109 -21.441 1.312 5.980 1.00 0.50 C ATOM 1459 CG MET A 109 -20.503 1.563 4.811 1.00 0.50 C ATOM 1460 SD MET A 109 -19.890 3.259 4.748 1.00 0.58 S ATOM 1461 CE MET A 109 -18.796 3.158 3.332 1.00 0.60 C ATOM 0 H MET A 109 -19.891 -0.541 6.467 1.00 0.46 H new ATOM 0 HA MET A 109 -20.086 2.037 7.496 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.011 0.403 5.786 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.157 2.131 6.040 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.657 0.879 4.878 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.023 1.336 3.880 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.335 4.130 3.158 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.020 2.417 3.524 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.367 2.865 2.451 1.00 0.60 H new ATOM 1471 N GLN A 110 -21.788 2.174 9.256 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.744 2.278 10.350 1.00 0.53 C ATOM 1473 C GLN A 110 -23.891 3.191 9.942 1.00 0.56 C ATOM 1474 O GLN A 110 -24.812 3.441 10.721 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.073 2.805 11.621 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.019 1.869 12.182 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.414 2.355 13.483 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.333 3.558 13.744 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -19.983 1.414 14.311 1.00 0.53 N ATOM 0 H GLN A 110 -21.149 2.965 9.179 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.133 1.283 10.565 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.613 3.770 11.406 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.836 2.977 12.380 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.464 0.887 12.341 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.226 1.744 11.445 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.070 0.431 14.055 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.565 1.673 15.204 1.00 0.53 H new ATOM 1488 N GLU A 111 -23.811 3.691 8.712 1.00 0.57 N ATOM 1489 CA GLU A 111 -24.831 4.567 8.153 1.00 0.60 C ATOM 1490 C GLU A 111 -26.185 3.863 8.155 1.00 0.63 C ATOM 1491 O GLU A 111 -26.259 2.659 7.918 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.443 4.978 6.729 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.231 5.896 6.668 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.517 7.262 7.253 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.538 7.875 6.866 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.736 7.728 8.111 1.00 0.67 O ATOM 0 H GLU A 111 -23.037 3.499 8.076 1.00 0.57 H new ATOM 0 HA GLU A 111 -24.906 5.464 8.767 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.239 4.081 6.144 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.291 5.478 6.260 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.403 5.438 7.209 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -22.913 6.006 5.631 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.266 4.604 8.427 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.625 4.049 8.490 1.00 0.71 C ATOM 1505 C PRO A 112 -29.049 3.288 7.229 1.00 0.71 C ATOM 1506 O PRO A 112 -29.487 2.142 7.313 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.516 5.285 8.684 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.654 6.465 8.397 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.251 6.046 8.709 1.00 0.71 C ATOM 0 HA PRO A 112 -28.699 3.309 9.287 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.374 5.256 8.012 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -29.908 5.327 9.700 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -28.746 6.769 7.354 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -28.949 7.320 9.006 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.525 6.571 8.088 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -26.990 6.252 9.747 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.904 3.910 6.066 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.316 3.279 4.814 1.00 0.75 C ATOM 1519 C LYS A 113 -28.129 3.017 3.895 1.00 0.69 C ATOM 1520 O LYS A 113 -27.014 3.455 4.169 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.354 4.152 4.110 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.730 4.080 4.755 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.352 5.458 4.904 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.816 5.361 5.306 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.384 6.688 5.661 1.00 1.51 N ATOM 0 H LYS A 113 -28.508 4.844 5.961 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.760 2.313 5.055 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.012 5.187 4.113 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.432 3.845 3.067 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.383 3.449 4.151 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.649 3.609 5.735 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.803 6.028 5.654 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.266 6.002 3.964 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.389 4.929 4.486 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.915 4.685 6.155 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.383 6.578 5.929 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.854 7.090 6.460 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.313 7.326 4.843 1.00 1.51 H new ATOM 1539 N THR A 114 -28.388 2.310 2.799 1.00 0.69 N ATOM 1540 CA THR A 114 -27.350 1.964 1.829 1.00 0.66 C ATOM 1541 C THR A 114 -27.452 2.799 0.555 1.00 0.67 C ATOM 1542 O THR A 114 -26.839 2.469 -0.462 1.00 0.69 O ATOM 1543 CB THR A 114 -27.458 0.479 1.438 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.812 0.034 1.612 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.524 -0.380 2.273 1.00 0.86 C ATOM 0 H THR A 114 -29.316 1.962 2.558 1.00 0.69 H new ATOM 0 HA THR A 114 -26.393 2.169 2.309 1.00 0.66 H new ATOM 0 HB THR A 114 -27.166 0.378 0.393 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.881 -0.911 1.361 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.624 -1.423 1.973 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.495 -0.055 2.119 1.00 0.86 H new ATOM 0 HG23 THR A 114 -26.782 -0.279 3.327 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.209 3.887 0.613 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.403 4.747 -0.555 1.00 0.72 C ATOM 1555 C ASP A 115 -27.087 5.320 -1.068 1.00 0.68 C ATOM 1556 O ASP A 115 -26.768 5.207 -2.253 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.356 5.898 -0.235 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.777 5.436 -0.005 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.486 5.152 -0.993 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.196 5.362 1.172 1.00 1.14 O ATOM 0 H ASP A 115 -28.699 4.197 1.452 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.835 4.119 -1.334 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.001 6.421 0.653 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.340 6.615 -1.056 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.318 5.923 -0.172 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.048 6.540 -0.548 1.00 0.64 C ATOM 1567 C GLN A 116 -23.851 5.743 -0.038 1.00 0.60 C ATOM 1568 O GLN A 116 -22.765 6.296 0.137 1.00 0.59 O ATOM 1569 CB GLN A 116 -24.984 7.969 -0.010 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.045 8.876 -0.603 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.795 9.198 -2.062 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.237 8.479 -2.959 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.081 10.283 -2.308 1.00 0.92 N ATOM 0 H GLN A 116 -26.548 5.999 0.819 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.999 6.551 -1.637 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.097 7.948 1.074 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -23.999 8.386 -0.220 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.020 8.400 -0.503 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.083 9.804 -0.032 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.734 10.851 -1.535 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.877 10.552 -3.271 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.044 4.447 0.183 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.968 3.590 0.682 1.00 0.58 C ATOM 1584 C ASP A 117 -21.809 3.537 -0.304 1.00 0.55 C ATOM 1585 O ASP A 117 -20.657 3.782 0.065 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.486 2.177 0.967 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.486 1.859 2.449 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.570 2.805 3.263 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.417 0.663 2.809 1.00 0.64 O ATOM 0 H ASP A 117 -24.930 3.966 0.026 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.605 4.022 1.615 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.498 2.076 0.575 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.866 1.451 0.441 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.122 3.253 -1.564 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.106 3.182 -2.607 1.00 0.56 C ATOM 1596 C GLU A 118 -20.506 4.560 -2.854 1.00 0.55 C ATOM 1597 O GLU A 118 -19.308 4.692 -3.104 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.706 2.626 -3.901 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.019 1.141 -3.838 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.775 0.288 -3.681 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.091 0.031 -4.698 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.477 -0.136 -2.544 1.00 0.70 O ATOM 0 H GLU A 118 -23.072 3.068 -1.887 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.315 2.510 -2.275 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.621 3.172 -4.131 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.011 2.808 -4.721 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.693 0.951 -3.003 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.545 0.846 -4.746 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.346 5.584 -2.765 1.00 0.57 N ATOM 1610 CA GLU A 119 -20.910 6.961 -2.967 1.00 0.59 C ATOM 1611 C GLU A 119 -19.858 7.338 -1.926 1.00 0.56 C ATOM 1612 O GLU A 119 -18.917 8.075 -2.219 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.102 7.917 -2.894 1.00 0.64 C ATOM 1614 CG GLU A 119 -21.773 9.337 -3.323 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.219 9.410 -4.733 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.850 8.852 -5.655 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -20.157 10.040 -4.927 1.00 1.25 O ATOM 0 H GLU A 119 -22.339 5.486 -2.553 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.465 7.044 -3.959 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -22.904 7.533 -3.525 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.481 7.934 -1.872 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -22.673 9.949 -3.259 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.048 9.763 -2.630 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.017 6.816 -0.711 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.063 7.078 0.362 1.00 0.54 C ATOM 1626 C HIS A 120 -17.689 6.559 -0.044 1.00 0.51 C ATOM 1627 O HIS A 120 -16.681 7.242 0.118 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.505 6.412 1.672 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.723 7.028 2.288 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.704 6.290 2.925 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -21.126 8.319 2.357 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.656 7.104 3.351 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -22.327 8.336 3.020 1.00 0.74 N ATOM 0 H HIS A 120 -20.795 6.211 -0.447 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.018 8.154 0.529 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.700 5.356 1.483 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.684 6.461 2.388 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.600 9.176 1.963 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.550 6.809 3.880 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.878 9.170 3.224 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.678 5.353 -0.601 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.448 4.722 -1.053 1.00 0.48 C ATOM 1644 C CYS A 121 -15.887 5.474 -2.258 1.00 0.48 C ATOM 1645 O CYS A 121 -14.673 5.602 -2.418 1.00 0.47 O ATOM 1646 CB CYS A 121 -16.713 3.259 -1.419 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.240 2.334 -1.910 1.00 0.48 S ATOM 0 H CYS A 121 -18.516 4.791 -0.750 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.716 4.755 -0.246 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.172 2.761 -0.565 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.436 3.226 -2.234 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.336 2.432 -0.981 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.789 5.973 -3.094 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.418 6.722 -4.288 1.00 0.54 C ATOM 1655 C ARG A 122 -15.675 8.002 -3.916 1.00 0.53 C ATOM 1656 O ARG A 122 -14.575 8.252 -4.414 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.669 7.055 -5.105 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.405 7.956 -6.301 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.640 8.085 -7.173 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.925 6.843 -7.885 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.133 6.288 -7.967 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.183 6.863 -7.382 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.293 5.155 -8.638 1.00 1.52 N ATOM 0 H ARG A 122 -17.795 5.870 -2.964 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.752 6.104 -4.891 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.120 6.126 -5.455 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.398 7.537 -4.454 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.096 8.942 -5.955 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.581 7.552 -6.890 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.496 8.356 -6.555 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.497 8.892 -7.891 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.150 6.370 -8.349 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -21.065 7.735 -6.866 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.105 6.431 -7.450 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -19.493 4.712 -9.089 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.217 4.727 -8.703 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.273 8.797 -3.029 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.664 10.050 -2.592 1.00 0.53 C ATOM 1679 C LYS A 123 -14.312 9.788 -1.937 1.00 0.51 C ATOM 1680 O LYS A 123 -13.356 10.539 -2.145 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.581 10.792 -1.615 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.770 11.457 -2.283 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.233 12.682 -1.506 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.434 13.340 -2.165 1.00 0.85 C ATOM 1685 NZ LYS A 123 -19.690 14.705 -1.629 1.00 1.12 N ATOM 0 H LYS A 123 -17.176 8.595 -2.601 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.516 10.675 -3.472 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.943 10.089 -0.864 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.000 11.549 -1.089 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.502 11.749 -3.298 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.590 10.744 -2.362 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -18.490 12.392 -0.487 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -17.416 13.400 -1.437 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.269 13.399 -3.241 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.317 12.719 -2.011 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -20.517 15.116 -2.107 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -19.873 14.648 -0.607 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -18.859 15.306 -1.799 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.241 8.713 -1.164 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.007 8.335 -0.491 1.00 0.46 C ATOM 1701 C VAL A 124 -11.912 8.052 -1.515 1.00 0.45 C ATOM 1702 O VAL A 124 -10.827 8.629 -1.451 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.214 7.095 0.411 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.885 6.495 0.845 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.049 7.457 1.627 1.00 0.50 C ATOM 0 H VAL A 124 -15.026 8.086 -0.987 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.704 9.170 0.141 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.746 6.345 -0.174 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.067 5.626 1.477 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.318 6.191 -0.035 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.316 7.238 1.404 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.185 6.574 2.251 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.540 8.231 2.201 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.022 7.826 1.303 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.226 7.204 -2.491 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.273 6.830 -3.537 1.00 0.48 C ATOM 1717 C ASN A 125 -10.793 8.042 -4.322 1.00 0.49 C ATOM 1718 O ASN A 125 -9.663 8.071 -4.805 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.899 5.818 -4.501 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.589 4.390 -4.114 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.561 4.109 -3.499 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.465 3.472 -4.490 1.00 0.77 N ATOM 0 H ASN A 125 -13.139 6.759 -2.581 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.414 6.379 -3.040 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.980 5.960 -4.522 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.533 6.006 -5.510 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.300 2.490 -4.271 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.305 3.747 -4.999 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.659 9.036 -4.456 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.322 10.245 -5.187 1.00 0.56 C ATOM 1731 C GLU A 126 -10.220 11.033 -4.494 1.00 0.55 C ATOM 1732 O GLU A 126 -9.148 11.229 -5.054 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.552 11.132 -5.350 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.566 10.591 -6.338 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.713 11.544 -6.570 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -14.485 12.774 -6.563 1.00 1.27 O ATOM 1737 OE2 GLU A 126 -15.852 11.065 -6.765 1.00 1.30 O ATOM 0 H GLU A 126 -12.602 9.027 -4.067 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.960 9.937 -6.168 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.033 11.254 -4.379 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.234 12.123 -5.675 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.070 10.386 -7.287 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.955 9.642 -5.971 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.481 11.455 -3.267 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.526 12.257 -2.512 1.00 0.55 C ATOM 1746 C TYR A 127 -8.253 11.484 -2.174 1.00 0.52 C ATOM 1747 O TYR A 127 -7.188 12.081 -2.015 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.182 12.781 -1.235 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.299 13.765 -1.501 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.026 15.055 -1.933 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -12.627 13.397 -1.338 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.043 15.950 -2.193 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.651 14.287 -1.593 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.354 15.564 -2.022 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.372 16.453 -2.288 1.00 0.84 O ATOM 0 H TYR A 127 -11.349 11.256 -2.770 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.232 13.094 -3.145 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -10.576 11.940 -0.665 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.424 13.260 -0.615 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.000 15.364 -2.068 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -12.864 12.397 -1.006 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.812 16.950 -2.529 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -14.679 13.985 -1.457 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.235 16.022 -2.117 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.359 10.165 -2.069 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.202 9.334 -1.738 1.00 0.49 C ATOM 1767 C LEU A 128 -6.289 9.117 -2.944 1.00 0.53 C ATOM 1768 O LEU A 128 -5.113 8.800 -2.786 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.645 7.971 -1.189 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.428 7.994 0.129 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.398 6.623 0.788 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.889 9.054 1.078 1.00 0.44 C ATOM 0 H LEU A 128 -9.227 9.648 -2.207 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.641 9.871 -0.973 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.260 7.481 -1.944 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.758 7.353 -1.050 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.462 8.250 -0.102 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.958 6.656 1.722 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.849 5.889 0.121 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.365 6.341 0.994 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.467 9.043 2.002 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.843 8.844 1.302 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -7.970 10.036 0.611 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.828 9.285 -4.147 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.041 9.078 -5.364 1.00 0.59 C ATOM 1786 C ASN A 129 -5.971 10.342 -6.213 1.00 0.65 C ATOM 1787 O ASN A 129 -5.531 10.306 -7.364 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.622 7.921 -6.182 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.959 6.597 -5.854 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.739 6.514 -5.710 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.758 5.549 -5.732 1.00 0.89 N ATOM 0 H ASN A 129 -7.797 9.561 -4.308 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.025 8.827 -5.061 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.693 7.846 -5.992 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.501 8.133 -7.244 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.367 4.633 -5.511 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.764 5.657 -5.859 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.406 11.453 -5.644 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.383 12.737 -6.333 1.00 0.74 C ATOM 1800 C ASN A 130 -6.147 13.847 -5.324 1.00 0.80 C ATOM 1801 O ASN A 130 -7.135 14.475 -4.882 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.694 13.000 -7.090 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.693 12.452 -8.500 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.162 13.071 -9.426 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.311 11.297 -8.681 1.00 1.09 N ATOM 0 H ASN A 130 -6.783 11.494 -4.697 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.574 12.713 -7.063 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.521 12.555 -6.536 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.875 14.074 -7.126 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.361 10.886 -9.613 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.737 10.817 -7.888 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 36.956 -7.469 8.793 1.00 1.24 N ATOM 1814 CA ALA B 26 35.883 -6.719 9.481 1.00 1.15 C ATOM 1815 C ALA B 26 34.637 -6.623 8.604 1.00 1.06 C ATOM 1816 O ALA B 26 34.652 -5.965 7.560 1.00 1.08 O ATOM 1817 CB ALA B 26 36.371 -5.325 9.849 1.00 1.27 C ATOM 0 HA ALA B 26 35.620 -7.257 10.392 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.573 -4.782 10.355 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.233 -5.404 10.512 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.657 -4.789 8.944 1.00 1.27 H new ATOM 1825 N PRO B 27 33.546 -7.292 9.002 1.00 1.03 N ATOM 1826 CA PRO B 27 32.294 -7.264 8.257 1.00 0.98 C ATOM 1827 C PRO B 27 31.433 -6.060 8.632 1.00 0.96 C ATOM 1828 O PRO B 27 31.703 -5.370 9.620 1.00 1.05 O ATOM 1829 CB PRO B 27 31.621 -8.566 8.686 1.00 1.03 C ATOM 1830 CG PRO B 27 32.108 -8.821 10.072 1.00 1.15 C ATOM 1831 CD PRO B 27 33.450 -8.143 10.205 1.00 1.12 C ATOM 0 HA PRO B 27 32.445 -7.178 7.181 1.00 0.98 H new ATOM 0 HB2 PRO B 27 30.535 -8.475 8.661 1.00 1.03 H new ATOM 0 HB3 PRO B 27 31.887 -9.385 8.018 1.00 1.03 H new ATOM 0 HG2 PRO B 27 31.404 -8.428 10.806 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.198 -9.891 10.258 1.00 1.15 H new ATOM 0 HD2 PRO B 27 33.508 -7.550 11.118 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.261 -8.870 10.245 1.00 1.12 H new ATOM 1839 N ALA B 28 30.397 -5.813 7.845 1.00 0.95 N ATOM 1840 CA ALA B 28 29.493 -4.696 8.085 1.00 0.96 C ATOM 1841 C ALA B 28 28.053 -5.119 7.821 1.00 0.90 C ATOM 1842 O ALA B 28 27.302 -4.410 7.154 1.00 0.88 O ATOM 1843 CB ALA B 28 29.877 -3.514 7.205 1.00 1.04 C ATOM 0 H ALA B 28 30.159 -6.376 7.028 1.00 0.95 H new ATOM 0 HA ALA B 28 29.575 -4.391 9.128 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.195 -2.684 7.392 1.00 1.04 H new ATOM 0 HB2 ALA B 28 30.896 -3.205 7.436 1.00 1.04 H new ATOM 0 HB3 ALA B 28 29.815 -3.806 6.157 1.00 1.04 H new ATOM 1849 N GLU B 29 27.695 -6.284 8.360 1.00 0.93 N ATOM 1850 CA GLU B 29 26.355 -6.860 8.209 1.00 0.90 C ATOM 1851 C GLU B 29 25.970 -6.984 6.734 1.00 0.85 C ATOM 1852 O GLU B 29 25.290 -6.120 6.184 1.00 0.82 O ATOM 1853 CB GLU B 29 25.316 -6.030 8.968 1.00 0.91 C ATOM 1854 CG GLU B 29 25.549 -6.003 10.469 1.00 1.14 C ATOM 1855 CD GLU B 29 24.336 -6.450 11.257 1.00 1.10 C ATOM 1856 OE1 GLU B 29 23.484 -5.598 11.581 1.00 1.30 O ATOM 1857 OE2 GLU B 29 24.228 -7.656 11.568 1.00 1.29 O ATOM 0 H GLU B 29 28.328 -6.859 8.917 1.00 0.93 H new ATOM 0 HA GLU B 29 26.374 -7.862 8.638 1.00 0.90 H new ATOM 0 HB2 GLU B 29 25.328 -5.009 8.587 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.323 -6.433 8.769 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.393 -6.648 10.713 1.00 1.14 H new ATOM 0 HG3 GLU B 29 25.822 -4.992 10.772 1.00 1.14 H new ATOM 1864 N PRO B 30 26.385 -8.085 6.085 1.00 0.88 N ATOM 1865 CA PRO B 30 26.105 -8.334 4.665 1.00 0.88 C ATOM 1866 C PRO B 30 24.654 -8.735 4.401 1.00 0.82 C ATOM 1867 O PRO B 30 24.361 -9.505 3.482 1.00 0.85 O ATOM 1868 CB PRO B 30 27.050 -9.485 4.319 1.00 1.00 C ATOM 1869 CG PRO B 30 27.255 -10.213 5.599 1.00 1.07 C ATOM 1870 CD PRO B 30 27.169 -9.183 6.691 1.00 0.98 C ATOM 0 HA PRO B 30 26.254 -7.438 4.063 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.617 -10.136 3.560 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.994 -9.114 3.920 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.497 -10.985 5.733 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.224 -10.712 5.611 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.678 -9.582 7.578 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.158 -8.844 6.999 1.00 0.98 H new ATOM 1878 N LYS B 31 23.747 -8.203 5.205 1.00 0.78 N ATOM 1879 CA LYS B 31 22.329 -8.487 5.059 1.00 0.74 C ATOM 1880 C LYS B 31 21.714 -7.504 4.075 1.00 0.69 C ATOM 1881 O LYS B 31 21.072 -6.530 4.468 1.00 0.73 O ATOM 1882 CB LYS B 31 21.615 -8.397 6.410 1.00 0.76 C ATOM 1883 CG LYS B 31 22.040 -9.467 7.407 1.00 0.92 C ATOM 1884 CD LYS B 31 21.050 -10.625 7.453 1.00 1.11 C ATOM 1885 CE LYS B 31 21.093 -11.460 6.183 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.165 -12.621 6.240 1.00 1.45 N ATOM 0 H LYS B 31 23.971 -7.567 5.971 1.00 0.78 H new ATOM 0 HA LYS B 31 22.211 -9.502 4.680 1.00 0.74 H new ATOM 0 HB2 LYS B 31 21.803 -7.415 6.844 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.540 -8.473 6.247 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.027 -9.843 7.137 1.00 0.92 H new ATOM 0 HG3 LYS B 31 22.128 -9.025 8.399 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.273 -11.259 8.312 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.042 -10.235 7.597 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.835 -10.833 5.330 1.00 1.32 H new ATOM 0 HE3 LYS B 31 22.110 -11.818 6.020 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.229 -13.160 5.353 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 20.426 -13.235 7.038 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.191 -12.281 6.369 1.00 1.45 H new ATOM 1900 N ILE B 32 21.943 -7.747 2.796 1.00 0.68 N ATOM 1901 CA ILE B 32 21.423 -6.886 1.748 1.00 0.66 C ATOM 1902 C ILE B 32 19.953 -7.192 1.479 1.00 0.62 C ATOM 1903 O ILE B 32 19.613 -8.227 0.900 1.00 0.67 O ATOM 1904 CB ILE B 32 22.242 -7.026 0.441 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.667 -6.505 0.648 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.574 -6.279 -0.702 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.689 -7.600 0.856 1.00 1.20 C ATOM 0 H ILE B 32 22.489 -8.539 2.457 1.00 0.68 H new ATOM 0 HA ILE B 32 21.513 -5.857 2.096 1.00 0.66 H new ATOM 0 HB ILE B 32 22.285 -8.084 0.180 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.956 -5.910 -0.218 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.680 -5.839 1.511 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.169 -6.393 -1.608 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.577 -6.686 -0.869 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.497 -5.221 -0.450 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.675 -7.156 0.996 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.424 -8.182 1.739 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.706 -8.253 -0.017 1.00 1.20 H new ATOM 1919 N ILE B 33 19.086 -6.290 1.915 1.00 0.58 N ATOM 1920 CA ILE B 33 17.654 -6.448 1.727 1.00 0.56 C ATOM 1921 C ILE B 33 17.209 -5.805 0.420 1.00 0.54 C ATOM 1922 O ILE B 33 17.895 -4.935 -0.125 1.00 0.60 O ATOM 1923 CB ILE B 33 16.850 -5.836 2.897 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.307 -4.399 3.171 1.00 0.59 C ATOM 1925 CG2 ILE B 33 16.997 -6.698 4.145 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.470 -3.677 4.206 1.00 0.67 C ATOM 0 H ILE B 33 19.353 -5.436 2.405 1.00 0.58 H new ATOM 0 HA ILE B 33 17.454 -7.519 1.695 1.00 0.56 H new ATOM 0 HB ILE B 33 15.796 -5.808 2.619 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.345 -4.415 3.504 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.280 -3.835 2.238 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.426 -6.256 4.962 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.622 -7.701 3.941 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.049 -6.754 4.426 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.855 -2.667 4.345 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.435 -3.627 3.867 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.516 -4.216 5.152 1.00 0.67 H new ATOM 1938 N LYS B 34 16.061 -6.239 -0.076 1.00 0.53 N ATOM 1939 CA LYS B 34 15.520 -5.722 -1.322 1.00 0.53 C ATOM 1940 C LYS B 34 14.392 -4.734 -1.063 1.00 0.48 C ATOM 1941 O LYS B 34 13.479 -5.002 -0.279 1.00 0.57 O ATOM 1942 CB LYS B 34 15.011 -6.876 -2.186 1.00 0.58 C ATOM 1943 CG LYS B 34 16.124 -7.701 -2.812 1.00 0.76 C ATOM 1944 CD LYS B 34 15.606 -9.039 -3.314 1.00 0.87 C ATOM 1945 CE LYS B 34 16.434 -9.557 -4.481 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.885 -9.611 -4.163 1.00 1.31 N ATOM 0 H LYS B 34 15.483 -6.952 0.369 1.00 0.53 H new ATOM 0 HA LYS B 34 16.318 -5.198 -1.848 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.385 -7.528 -1.576 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.377 -6.475 -2.977 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.568 -7.147 -3.639 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.913 -7.866 -2.079 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.626 -9.766 -2.502 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.566 -8.935 -3.623 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.087 -10.553 -4.756 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.278 -8.915 -5.348 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.387 -10.124 -4.916 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.261 -8.644 -4.092 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 18.024 -10.103 -3.257 1.00 1.31 H new ATOM 1960 N VAL B 35 14.462 -3.589 -1.720 1.00 0.44 N ATOM 1961 CA VAL B 35 13.445 -2.564 -1.572 1.00 0.41 C ATOM 1962 C VAL B 35 12.910 -2.147 -2.940 1.00 0.42 C ATOM 1963 O VAL B 35 13.652 -1.650 -3.787 1.00 0.45 O ATOM 1964 CB VAL B 35 13.986 -1.333 -0.799 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.360 -0.928 -1.307 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.018 -0.161 -0.883 1.00 0.40 C ATOM 0 H VAL B 35 15.216 -3.346 -2.363 1.00 0.44 H new ATOM 0 HA VAL B 35 12.627 -2.986 -0.988 1.00 0.41 H new ATOM 0 HB VAL B 35 14.081 -1.619 0.248 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.714 -0.063 -0.747 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.056 -1.756 -1.174 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.296 -0.674 -2.365 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.425 0.687 -0.332 1.00 0.40 H new ATOM 0 HG22 VAL B 35 12.876 0.119 -1.927 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.060 -0.449 -0.451 1.00 0.40 H new ATOM 1976 N THR B 36 11.626 -2.379 -3.163 1.00 0.41 N ATOM 1977 CA THR B 36 10.999 -2.030 -4.425 1.00 0.43 C ATOM 1978 C THR B 36 10.435 -0.612 -4.366 1.00 0.39 C ATOM 1979 O THR B 36 9.459 -0.347 -3.660 1.00 0.40 O ATOM 1980 CB THR B 36 9.875 -3.016 -4.781 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.139 -4.295 -4.186 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.748 -3.171 -6.289 1.00 0.57 C ATOM 0 H THR B 36 10.998 -2.809 -2.484 1.00 0.41 H new ATOM 0 HA THR B 36 11.764 -2.083 -5.199 1.00 0.43 H new ATOM 0 HB THR B 36 8.937 -2.620 -4.392 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.418 -4.918 -4.416 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.946 -3.874 -6.516 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.520 -2.203 -6.736 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.686 -3.547 -6.696 1.00 0.57 H new ATOM 1990 N VAL B 37 11.053 0.292 -5.110 1.00 0.41 N ATOM 1991 CA VAL B 37 10.632 1.683 -5.133 1.00 0.40 C ATOM 1992 C VAL B 37 9.664 1.939 -6.281 1.00 0.43 C ATOM 1993 O VAL B 37 9.986 1.695 -7.448 1.00 0.51 O ATOM 1994 CB VAL B 37 11.845 2.630 -5.263 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.412 4.087 -5.157 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.894 2.300 -4.210 1.00 0.46 C ATOM 0 H VAL B 37 11.852 0.085 -5.709 1.00 0.41 H new ATOM 0 HA VAL B 37 10.127 1.885 -4.188 1.00 0.40 H new ATOM 0 HB VAL B 37 12.288 2.483 -6.248 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.284 4.734 -5.252 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.703 4.315 -5.953 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.938 4.256 -4.190 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.742 2.977 -4.316 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.461 2.414 -3.216 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.232 1.272 -4.342 1.00 0.46 H new ATOM 2006 N LYS B 38 8.474 2.411 -5.941 1.00 0.41 N ATOM 2007 CA LYS B 38 7.455 2.715 -6.929 1.00 0.46 C ATOM 2008 C LYS B 38 7.469 4.205 -7.246 1.00 0.50 C ATOM 2009 O LYS B 38 7.249 5.040 -6.366 1.00 0.63 O ATOM 2010 CB LYS B 38 6.075 2.302 -6.425 1.00 0.51 C ATOM 2011 CG LYS B 38 5.872 0.798 -6.344 1.00 0.65 C ATOM 2012 CD LYS B 38 4.488 0.467 -5.813 1.00 0.80 C ATOM 2013 CE LYS B 38 4.159 -1.010 -5.947 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.734 -1.280 -5.625 1.00 1.38 N ATOM 0 H LYS B 38 8.191 2.592 -4.978 1.00 0.41 H new ATOM 0 HA LYS B 38 7.673 2.152 -7.837 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.916 2.734 -5.437 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.317 2.726 -7.084 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.003 0.355 -7.331 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.630 0.359 -5.695 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.424 0.758 -4.764 1.00 0.80 H new ATOM 0 HD3 LYS B 38 3.744 1.053 -6.352 1.00 0.80 H new ATOM 0 HE2 LYS B 38 4.373 -1.341 -6.963 1.00 1.18 H new ATOM 0 HE3 LYS B 38 4.800 -1.589 -5.282 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 2.665 -1.693 -4.673 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.196 -0.390 -5.656 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.341 -1.946 -6.320 1.00 1.38 H new ATOM 2028 N THR B 39 7.712 4.530 -8.501 1.00 0.55 N ATOM 2029 CA THR B 39 7.782 5.916 -8.933 1.00 0.60 C ATOM 2030 C THR B 39 6.762 6.182 -10.030 1.00 0.65 C ATOM 2031 O THR B 39 6.270 5.237 -10.651 1.00 0.67 O ATOM 2032 CB THR B 39 9.195 6.250 -9.472 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.570 5.310 -10.489 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.229 6.222 -8.360 1.00 0.68 C ATOM 0 H THR B 39 7.865 3.849 -9.245 1.00 0.55 H new ATOM 0 HA THR B 39 7.565 6.546 -8.070 1.00 0.60 H new ATOM 0 HB THR B 39 9.161 7.255 -9.892 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.904 4.593 -10.533 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.211 6.460 -8.770 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.965 6.957 -7.599 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.254 5.229 -7.912 1.00 0.68 H new ATOM 2042 N PRO B 40 6.401 7.459 -10.263 1.00 0.71 N ATOM 2043 CA PRO B 40 5.469 7.836 -11.334 1.00 0.78 C ATOM 2044 C PRO B 40 6.150 7.709 -12.695 1.00 0.81 C ATOM 2045 O PRO B 40 6.192 8.655 -13.485 1.00 0.87 O ATOM 2046 CB PRO B 40 5.150 9.300 -11.031 1.00 0.83 C ATOM 2047 CG PRO B 40 6.325 9.804 -10.272 1.00 0.85 C ATOM 2048 CD PRO B 40 6.847 8.635 -9.483 1.00 0.73 C ATOM 0 HA PRO B 40 4.580 7.206 -11.371 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.000 9.869 -11.949 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.235 9.391 -10.446 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.088 10.190 -10.947 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.040 10.623 -9.612 1.00 0.85 H new ATOM 0 HD2 PRO B 40 7.933 8.666 -9.391 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.442 8.622 -8.471 1.00 0.73 H new ATOM 2056 N LYS B 41 6.683 6.522 -12.945 1.00 0.82 N ATOM 2057 CA LYS B 41 7.410 6.230 -14.169 1.00 0.87 C ATOM 2058 C LYS B 41 7.569 4.723 -14.332 1.00 0.84 C ATOM 2059 O LYS B 41 7.000 4.118 -15.241 1.00 0.92 O ATOM 2060 CB LYS B 41 8.791 6.892 -14.126 1.00 0.93 C ATOM 2061 CG LYS B 41 9.522 6.900 -15.459 1.00 1.13 C ATOM 2062 CD LYS B 41 9.058 8.046 -16.346 1.00 1.21 C ATOM 2063 CE LYS B 41 10.232 8.759 -16.998 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.016 9.550 -16.012 1.00 1.37 N ATOM 0 H LYS B 41 6.623 5.733 -12.302 1.00 0.82 H new ATOM 0 HA LYS B 41 6.849 6.625 -15.016 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.678 7.920 -13.781 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.407 6.374 -13.390 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.595 6.985 -15.286 1.00 1.13 H new ATOM 0 HG3 LYS B 41 9.356 5.952 -15.971 1.00 1.13 H new ATOM 0 HD2 LYS B 41 8.390 7.663 -17.118 1.00 1.21 H new ATOM 0 HD3 LYS B 41 8.484 8.757 -15.752 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.883 8.026 -17.475 1.00 1.44 H new ATOM 0 HE3 LYS B 41 9.865 9.419 -17.784 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.652 10.201 -16.516 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 10.367 10.096 -15.410 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.579 8.907 -15.419 1.00 1.37 H new ATOM 2078 N GLU B 42 8.330 4.121 -13.423 1.00 0.77 N ATOM 2079 CA GLU B 42 8.579 2.688 -13.455 1.00 0.75 C ATOM 2080 C GLU B 42 8.716 2.127 -12.045 1.00 0.70 C ATOM 2081 O GLU B 42 8.510 2.834 -11.053 1.00 0.73 O ATOM 2082 CB GLU B 42 9.851 2.394 -14.255 1.00 0.83 C ATOM 2083 CG GLU B 42 9.588 1.906 -15.671 1.00 1.03 C ATOM 2084 CD GLU B 42 10.861 1.644 -16.445 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.626 0.737 -16.054 1.00 1.28 O ATOM 2086 OE2 GLU B 42 11.105 2.337 -17.456 1.00 1.41 O ATOM 0 H GLU B 42 8.786 4.609 -12.652 1.00 0.77 H new ATOM 0 HA GLU B 42 7.729 2.206 -13.937 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.458 3.298 -14.299 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.437 1.643 -13.725 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.997 0.991 -15.631 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.991 2.648 -16.202 1.00 1.03 H new ATOM 2093 N LYS B 43 9.055 0.853 -11.971 1.00 0.68 N ATOM 2094 CA LYS B 43 9.245 0.171 -10.705 1.00 0.64 C ATOM 2095 C LYS B 43 10.634 -0.451 -10.679 1.00 0.63 C ATOM 2096 O LYS B 43 10.964 -1.275 -11.534 1.00 0.74 O ATOM 2097 CB LYS B 43 8.172 -0.905 -10.526 1.00 0.67 C ATOM 2098 CG LYS B 43 8.303 -1.701 -9.237 1.00 0.67 C ATOM 2099 CD LYS B 43 7.293 -2.842 -9.175 1.00 0.74 C ATOM 2100 CE LYS B 43 7.582 -3.912 -10.225 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.571 -5.006 -10.204 1.00 0.98 N ATOM 0 H LYS B 43 9.206 0.262 -12.788 1.00 0.68 H new ATOM 0 HA LYS B 43 9.156 0.883 -9.885 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.190 -0.432 -10.551 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.216 -1.592 -11.371 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.313 -2.104 -9.159 1.00 0.67 H new ATOM 0 HG3 LYS B 43 8.157 -1.039 -8.384 1.00 0.67 H new ATOM 0 HD2 LYS B 43 7.313 -3.292 -8.182 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.288 -2.447 -9.326 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.599 -3.454 -11.214 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.573 -4.331 -10.051 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.806 -5.710 -10.933 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.572 -5.462 -9.269 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.628 -4.611 -10.396 1.00 0.98 H new ATOM 2115 N GLU B 44 11.447 -0.057 -9.715 1.00 0.59 N ATOM 2116 CA GLU B 44 12.800 -0.581 -9.613 1.00 0.60 C ATOM 2117 C GLU B 44 13.063 -1.124 -8.216 1.00 0.56 C ATOM 2118 O GLU B 44 12.468 -0.669 -7.240 1.00 0.60 O ATOM 2119 CB GLU B 44 13.817 0.510 -9.953 1.00 0.64 C ATOM 2120 CG GLU B 44 15.102 -0.028 -10.557 1.00 0.81 C ATOM 2121 CD GLU B 44 14.863 -0.749 -11.866 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.797 -0.077 -12.920 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.739 -1.992 -11.848 1.00 1.24 O ATOM 0 H GLU B 44 11.197 0.620 -8.994 1.00 0.59 H new ATOM 0 HA GLU B 44 12.906 -1.398 -10.327 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.363 1.214 -10.651 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.056 1.068 -9.048 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.797 0.796 -10.720 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.576 -0.710 -9.850 1.00 0.81 H new ATOM 2130 N GLU B 45 13.951 -2.099 -8.127 1.00 0.56 N ATOM 2131 CA GLU B 45 14.294 -2.699 -6.852 1.00 0.53 C ATOM 2132 C GLU B 45 15.743 -2.391 -6.504 1.00 0.55 C ATOM 2133 O GLU B 45 16.652 -2.656 -7.293 1.00 0.64 O ATOM 2134 CB GLU B 45 14.074 -4.210 -6.899 1.00 0.57 C ATOM 2135 CG GLU B 45 14.319 -4.903 -5.571 1.00 0.58 C ATOM 2136 CD GLU B 45 14.143 -6.399 -5.663 1.00 0.76 C ATOM 2137 OE1 GLU B 45 15.049 -7.077 -6.195 1.00 0.99 O ATOM 2138 OE2 GLU B 45 13.097 -6.904 -5.210 1.00 0.94 O ATOM 0 H GLU B 45 14.448 -2.492 -8.926 1.00 0.56 H new ATOM 0 HA GLU B 45 13.648 -2.277 -6.082 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.052 -4.410 -7.220 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.734 -4.641 -7.651 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.329 -4.679 -5.228 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.633 -4.504 -4.824 1.00 0.58 H new ATOM 2145 N PHE B 46 15.951 -1.810 -5.336 1.00 0.51 N ATOM 2146 CA PHE B 46 17.289 -1.474 -4.880 1.00 0.54 C ATOM 2147 C PHE B 46 17.749 -2.480 -3.833 1.00 0.54 C ATOM 2148 O PHE B 46 16.930 -3.122 -3.174 1.00 0.54 O ATOM 2149 CB PHE B 46 17.330 -0.054 -4.307 1.00 0.53 C ATOM 2150 CG PHE B 46 17.363 1.025 -5.356 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.187 1.507 -5.914 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.569 1.555 -5.783 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.216 2.500 -6.877 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.604 2.547 -6.745 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.426 3.019 -7.292 1.00 0.87 C ATOM 0 H PHE B 46 15.208 -1.560 -4.684 1.00 0.51 H new ATOM 0 HA PHE B 46 17.965 -1.514 -5.734 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.457 0.097 -3.672 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.209 0.045 -3.670 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.239 1.102 -5.593 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.493 1.189 -5.360 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.294 2.868 -7.303 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.551 2.953 -7.069 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.452 3.794 -8.044 1.00 0.87 H new ATOM 2165 N ALA B 47 19.055 -2.619 -3.692 1.00 0.57 N ATOM 2166 CA ALA B 47 19.622 -3.547 -2.733 1.00 0.60 C ATOM 2167 C ALA B 47 20.561 -2.819 -1.778 1.00 0.60 C ATOM 2168 O ALA B 47 21.608 -2.314 -2.189 1.00 0.66 O ATOM 2169 CB ALA B 47 20.350 -4.665 -3.466 1.00 0.69 C ATOM 0 H ALA B 47 19.745 -2.098 -4.233 1.00 0.57 H new ATOM 0 HA ALA B 47 18.818 -3.985 -2.142 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.774 -5.360 -2.741 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.648 -5.196 -4.109 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.150 -4.241 -4.073 1.00 0.69 H new ATOM 2175 N VAL B 48 20.181 -2.756 -0.509 1.00 0.57 N ATOM 2176 CA VAL B 48 20.987 -2.072 0.501 1.00 0.59 C ATOM 2177 C VAL B 48 21.111 -2.916 1.766 1.00 0.58 C ATOM 2178 O VAL B 48 20.224 -3.710 2.079 1.00 0.57 O ATOM 2179 CB VAL B 48 20.392 -0.692 0.869 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.731 0.344 -0.193 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.884 -0.787 1.066 1.00 0.56 C ATOM 0 H VAL B 48 19.320 -3.169 -0.151 1.00 0.57 H new ATOM 0 HA VAL B 48 21.975 -1.923 0.066 1.00 0.59 H new ATOM 0 HB VAL B 48 20.838 -0.373 1.811 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.302 1.306 0.087 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.814 0.439 -0.276 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.320 0.029 -1.152 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.488 0.195 1.324 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.418 -1.135 0.144 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.666 -1.489 1.871 1.00 0.56 H new ATOM 2191 N PRO B 49 22.227 -2.775 2.498 1.00 0.62 N ATOM 2192 CA PRO B 49 22.453 -3.524 3.737 1.00 0.63 C ATOM 2193 C PRO B 49 21.491 -3.096 4.849 1.00 0.60 C ATOM 2194 O PRO B 49 21.145 -1.914 4.972 1.00 0.61 O ATOM 2195 CB PRO B 49 23.901 -3.183 4.105 1.00 0.69 C ATOM 2196 CG PRO B 49 24.193 -1.896 3.417 1.00 0.79 C ATOM 2197 CD PRO B 49 23.364 -1.893 2.163 1.00 0.67 C ATOM 0 HA PRO B 49 22.282 -4.593 3.610 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.019 -3.087 5.184 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.584 -3.967 3.778 1.00 0.69 H new ATOM 0 HG2 PRO B 49 23.939 -1.048 4.053 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.254 -1.812 3.182 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.030 -0.888 1.905 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.927 -2.270 1.309 1.00 0.67 H new ATOM 2205 N GLU B 50 21.064 -4.060 5.654 1.00 0.61 N ATOM 2206 CA GLU B 50 20.140 -3.808 6.755 1.00 0.61 C ATOM 2207 C GLU B 50 20.861 -3.192 7.959 1.00 0.67 C ATOM 2208 O GLU B 50 20.667 -3.616 9.101 1.00 1.01 O ATOM 2209 CB GLU B 50 19.460 -5.118 7.161 1.00 0.68 C ATOM 2210 CG GLU B 50 18.136 -4.927 7.880 1.00 0.86 C ATOM 2211 CD GLU B 50 17.659 -6.192 8.561 1.00 0.93 C ATOM 2212 OE1 GLU B 50 18.323 -6.643 9.518 1.00 1.12 O ATOM 2213 OE2 GLU B 50 16.617 -6.745 8.150 1.00 1.08 O ATOM 0 H GLU B 50 21.346 -5.036 5.564 1.00 0.61 H new ATOM 0 HA GLU B 50 19.389 -3.094 6.417 1.00 0.61 H new ATOM 0 HB2 GLU B 50 19.294 -5.721 6.269 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.134 -5.681 7.806 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.240 -4.136 8.622 1.00 0.86 H new ATOM 0 HG3 GLU B 50 17.382 -4.597 7.165 1.00 0.86 H new ATOM 2220 N ASN B 51 21.691 -2.184 7.703 1.00 0.67 N ATOM 2221 CA ASN B 51 22.430 -1.515 8.767 1.00 0.69 C ATOM 2222 C ASN B 51 22.622 -0.032 8.463 1.00 0.71 C ATOM 2223 O ASN B 51 23.323 0.673 9.191 1.00 0.96 O ATOM 2224 CB ASN B 51 23.795 -2.193 8.978 1.00 0.76 C ATOM 2225 CG ASN B 51 24.836 -1.790 7.945 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.510 -1.449 6.803 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.098 -1.820 8.341 1.00 1.20 N ATOM 0 H ASN B 51 21.868 -1.814 6.769 1.00 0.67 H new ATOM 0 HA ASN B 51 21.845 -1.599 9.683 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.166 -1.945 9.972 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.664 -3.275 8.948 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.842 -1.556 7.695 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.327 -2.107 9.292 1.00 1.20 H new ATOM 2234 N SER B 52 21.991 0.445 7.400 1.00 0.65 N ATOM 2235 CA SER B 52 22.127 1.838 7.010 1.00 0.67 C ATOM 2236 C SER B 52 20.852 2.625 7.302 1.00 0.63 C ATOM 2237 O SER B 52 19.782 2.049 7.510 1.00 0.68 O ATOM 2238 CB SER B 52 22.463 1.929 5.524 1.00 0.71 C ATOM 2239 OG SER B 52 23.414 0.943 5.154 1.00 0.86 O ATOM 0 H SER B 52 21.384 -0.109 6.796 1.00 0.65 H new ATOM 0 HA SER B 52 22.935 2.275 7.596 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.555 1.802 4.934 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.855 2.920 5.297 1.00 0.71 H new ATOM 0 HG SER B 52 23.730 1.119 4.243 1.00 0.86 H new ATOM 2245 N SER B 53 20.979 3.945 7.314 1.00 0.65 N ATOM 2246 CA SER B 53 19.853 4.824 7.577 1.00 0.64 C ATOM 2247 C SER B 53 19.182 5.258 6.266 1.00 0.57 C ATOM 2248 O SER B 53 19.590 4.841 5.175 1.00 0.58 O ATOM 2249 CB SER B 53 20.333 6.035 8.373 1.00 0.75 C ATOM 2250 OG SER B 53 21.215 5.642 9.416 1.00 0.89 O ATOM 0 H SER B 53 21.859 4.431 7.143 1.00 0.65 H new ATOM 0 HA SER B 53 19.108 4.286 8.163 1.00 0.64 H new ATOM 0 HB2 SER B 53 20.839 6.734 7.708 1.00 0.75 H new ATOM 0 HB3 SER B 53 19.476 6.560 8.795 1.00 0.75 H new ATOM 0 HG SER B 53 21.510 6.435 9.911 1.00 0.89 H new ATOM 2256 N VAL B 54 18.159 6.100 6.372 1.00 0.54 N ATOM 2257 CA VAL B 54 17.425 6.569 5.199 1.00 0.49 C ATOM 2258 C VAL B 54 18.201 7.640 4.435 1.00 0.48 C ATOM 2259 O VAL B 54 18.061 7.763 3.219 1.00 0.47 O ATOM 2260 CB VAL B 54 16.036 7.125 5.586 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.239 7.529 4.356 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.262 6.102 6.397 1.00 0.58 C ATOM 0 H VAL B 54 17.818 6.473 7.258 1.00 0.54 H new ATOM 0 HA VAL B 54 17.294 5.702 4.551 1.00 0.49 H new ATOM 0 HB VAL B 54 16.193 8.015 6.195 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.267 7.916 4.663 1.00 0.57 H new ATOM 0 HG12 VAL B 54 15.780 8.301 3.809 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.097 6.660 3.713 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.286 6.510 6.661 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.129 5.195 5.807 1.00 0.58 H new ATOM 0 HG23 VAL B 54 15.814 5.865 7.306 1.00 0.58 H new ATOM 2272 N GLN B 55 19.026 8.401 5.143 1.00 0.53 N ATOM 2273 CA GLN B 55 19.811 9.463 4.520 1.00 0.58 C ATOM 2274 C GLN B 55 20.676 8.914 3.382 1.00 0.58 C ATOM 2275 O GLN B 55 20.717 9.486 2.290 1.00 0.64 O ATOM 2276 CB GLN B 55 20.676 10.168 5.571 1.00 0.67 C ATOM 2277 CG GLN B 55 21.720 11.103 4.981 1.00 0.88 C ATOM 2278 CD GLN B 55 22.228 12.118 5.983 1.00 0.92 C ATOM 2279 OE1 GLN B 55 23.173 11.857 6.727 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.612 13.288 6.001 1.00 1.23 N ATOM 0 H GLN B 55 19.170 8.304 6.148 1.00 0.53 H new ATOM 0 HA GLN B 55 19.123 10.191 4.091 1.00 0.58 H new ATOM 0 HB2 GLN B 55 20.029 10.737 6.239 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.178 9.415 6.179 1.00 0.67 H new ATOM 0 HG2 GLN B 55 22.559 10.515 4.608 1.00 0.88 H new ATOM 0 HG3 GLN B 55 21.292 11.626 4.126 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.832 13.464 5.367 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.917 14.015 6.649 1.00 1.23 H new ATOM 2289 N GLN B 56 21.340 7.789 3.633 1.00 0.56 N ATOM 2290 CA GLN B 56 22.196 7.163 2.628 1.00 0.60 C ATOM 2291 C GLN B 56 21.361 6.590 1.481 1.00 0.55 C ATOM 2292 O GLN B 56 21.836 6.465 0.354 1.00 0.62 O ATOM 2293 CB GLN B 56 23.038 6.048 3.256 1.00 0.65 C ATOM 2294 CG GLN B 56 24.472 6.005 2.751 1.00 0.80 C ATOM 2295 CD GLN B 56 25.394 6.911 3.544 1.00 1.02 C ATOM 2296 OE1 GLN B 56 25.977 6.495 4.547 1.00 1.35 O ATOM 2297 NE2 GLN B 56 25.536 8.153 3.105 1.00 1.27 N ATOM 0 H GLN B 56 21.302 7.292 4.523 1.00 0.56 H new ATOM 0 HA GLN B 56 22.859 7.931 2.231 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.047 6.178 4.338 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.562 5.088 3.054 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.842 4.981 2.803 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.493 6.299 1.702 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.036 8.459 2.270 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.145 8.803 3.602 1.00 1.27 H new ATOM 2306 N PHE B 57 20.114 6.244 1.777 1.00 0.50 N ATOM 2307 CA PHE B 57 19.216 5.680 0.775 1.00 0.49 C ATOM 2308 C PHE B 57 18.677 6.776 -0.142 1.00 0.47 C ATOM 2309 O PHE B 57 18.657 6.623 -1.364 1.00 0.49 O ATOM 2310 CB PHE B 57 18.056 4.941 1.450 1.00 0.48 C ATOM 2311 CG PHE B 57 17.165 4.203 0.489 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.643 3.119 -0.229 1.00 0.56 C ATOM 2313 CD2 PHE B 57 15.848 4.594 0.309 1.00 0.53 C ATOM 2314 CE1 PHE B 57 16.826 2.440 -1.110 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.025 3.918 -0.571 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.516 2.839 -1.281 1.00 0.64 C ATOM 0 H PHE B 57 19.701 6.344 2.704 1.00 0.50 H new ATOM 0 HA PHE B 57 19.781 4.969 0.173 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.460 4.233 2.173 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.456 5.659 2.009 1.00 0.48 H new ATOM 0 HD1 PHE B 57 18.667 2.802 -0.098 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.461 5.436 0.863 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.211 1.597 -1.665 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.000 4.232 -0.704 1.00 0.59 H new ATOM 0 HZ PHE B 57 14.875 2.308 -1.969 1.00 0.64 H new ATOM 2326 N LYS B 58 18.250 7.883 0.459 1.00 0.47 N ATOM 2327 CA LYS B 58 17.714 9.018 -0.291 1.00 0.48 C ATOM 2328 C LYS B 58 18.744 9.536 -1.287 1.00 0.49 C ATOM 2329 O LYS B 58 18.426 9.790 -2.449 1.00 0.53 O ATOM 2330 CB LYS B 58 17.307 10.148 0.659 1.00 0.53 C ATOM 2331 CG LYS B 58 16.056 9.845 1.468 1.00 0.62 C ATOM 2332 CD LYS B 58 15.844 10.873 2.570 1.00 0.70 C ATOM 2333 CE LYS B 58 15.673 12.275 2.001 1.00 0.77 C ATOM 2334 NZ LYS B 58 15.217 13.250 3.028 1.00 1.01 N ATOM 0 H LYS B 58 18.265 8.020 1.470 1.00 0.47 H new ATOM 0 HA LYS B 58 16.833 8.676 -0.835 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.131 10.350 1.343 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.143 11.057 0.080 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.188 9.833 0.808 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.137 8.851 1.907 1.00 0.62 H new ATOM 0 HD2 LYS B 58 14.963 10.606 3.153 1.00 0.70 H new ATOM 0 HD3 LYS B 58 16.694 10.857 3.252 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.620 12.611 1.579 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.952 12.248 1.184 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.115 14.189 2.594 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 14.300 12.945 3.413 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 15.917 13.298 3.796 1.00 1.01 H new ATOM 2348 N GLU B 59 19.982 9.660 -0.821 1.00 0.51 N ATOM 2349 CA GLU B 59 21.076 10.152 -1.649 1.00 0.56 C ATOM 2350 C GLU B 59 21.399 9.202 -2.799 1.00 0.57 C ATOM 2351 O GLU B 59 22.004 9.605 -3.794 1.00 0.65 O ATOM 2352 CB GLU B 59 22.323 10.368 -0.798 1.00 0.63 C ATOM 2353 CG GLU B 59 22.472 11.788 -0.285 1.00 1.06 C ATOM 2354 CD GLU B 59 23.858 12.330 -0.538 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.805 11.892 0.152 1.00 1.14 O ATOM 2356 OE2 GLU B 59 24.015 13.186 -1.434 1.00 1.30 O ATOM 0 H GLU B 59 20.254 9.424 0.133 1.00 0.51 H new ATOM 0 HA GLU B 59 20.753 11.100 -2.080 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.295 9.685 0.051 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.203 10.109 -1.387 1.00 0.63 H new ATOM 0 HG2 GLU B 59 21.736 12.429 -0.770 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.261 11.813 0.784 1.00 1.06 H new ATOM 2363 N ALA B 60 20.999 7.946 -2.663 1.00 0.55 N ATOM 2364 CA ALA B 60 21.247 6.959 -3.697 1.00 0.57 C ATOM 2365 C ALA B 60 20.253 7.139 -4.838 1.00 0.56 C ATOM 2366 O ALA B 60 20.623 7.100 -6.011 1.00 0.59 O ATOM 2367 CB ALA B 60 21.158 5.553 -3.123 1.00 0.59 C ATOM 0 H ALA B 60 20.502 7.589 -1.847 1.00 0.55 H new ATOM 0 HA ALA B 60 22.255 7.103 -4.087 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.347 4.825 -3.912 1.00 0.59 H new ATOM 0 HB2 ALA B 60 21.901 5.434 -2.335 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.162 5.391 -2.710 1.00 0.59 H new ATOM 2373 N ILE B 61 18.994 7.368 -4.486 1.00 0.52 N ATOM 2374 CA ILE B 61 17.947 7.550 -5.482 1.00 0.52 C ATOM 2375 C ILE B 61 18.148 8.856 -6.249 1.00 0.55 C ATOM 2376 O ILE B 61 17.986 8.896 -7.470 1.00 0.59 O ATOM 2377 CB ILE B 61 16.537 7.542 -4.849 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.374 6.353 -3.901 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.469 7.495 -5.935 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.094 6.399 -3.091 1.00 0.56 C ATOM 0 H ILE B 61 18.674 7.432 -3.520 1.00 0.52 H new ATOM 0 HA ILE B 61 18.019 6.707 -6.170 1.00 0.52 H new ATOM 0 HB ILE B 61 16.417 8.461 -4.274 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.395 5.430 -4.481 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.225 6.321 -3.220 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.481 7.490 -5.474 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.565 8.370 -6.578 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.596 6.591 -6.531 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.044 5.526 -2.440 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.079 7.305 -2.485 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.237 6.400 -3.765 1.00 0.56 H new ATOM 2392 N SER B 62 18.524 9.913 -5.541 1.00 0.55 N ATOM 2393 CA SER B 62 18.751 11.206 -6.169 1.00 0.59 C ATOM 2394 C SER B 62 19.954 11.148 -7.107 1.00 0.63 C ATOM 2395 O SER B 62 20.024 11.882 -8.092 1.00 0.70 O ATOM 2396 CB SER B 62 18.971 12.277 -5.100 1.00 0.61 C ATOM 2397 OG SER B 62 19.806 11.789 -4.067 1.00 0.70 O ATOM 0 H SER B 62 18.678 9.900 -4.533 1.00 0.55 H new ATOM 0 HA SER B 62 17.869 11.463 -6.756 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.421 13.161 -5.551 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.012 12.585 -4.684 1.00 0.61 H new ATOM 0 HG SER B 62 20.438 11.138 -4.437 1.00 0.70 H new ATOM 2403 N LYS B 63 20.891 10.264 -6.800 1.00 0.63 N ATOM 2404 CA LYS B 63 22.092 10.111 -7.604 1.00 0.69 C ATOM 2405 C LYS B 63 21.835 9.222 -8.820 1.00 0.71 C ATOM 2406 O LYS B 63 22.209 9.570 -9.939 1.00 0.82 O ATOM 2407 CB LYS B 63 23.214 9.522 -6.745 1.00 0.72 C ATOM 2408 CG LYS B 63 24.584 9.563 -7.400 1.00 0.84 C ATOM 2409 CD LYS B 63 25.024 10.985 -7.710 1.00 1.00 C ATOM 2410 CE LYS B 63 26.457 11.019 -8.213 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.860 12.374 -8.660 1.00 1.28 N ATOM 0 H LYS B 63 20.841 9.639 -5.995 1.00 0.63 H new ATOM 0 HA LYS B 63 22.391 11.094 -7.968 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.258 10.066 -5.801 1.00 0.72 H new ATOM 0 HB3 LYS B 63 22.969 8.487 -6.506 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.315 9.093 -6.742 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.563 8.981 -8.321 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.362 11.418 -8.460 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.936 11.599 -6.814 1.00 1.00 H new ATOM 0 HE2 LYS B 63 27.127 10.685 -7.420 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.567 10.317 -9.040 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.844 12.351 -8.995 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.238 12.683 -9.434 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.781 13.040 -7.865 1.00 1.28 H new ATOM 2425 N ARG B 64 21.180 8.089 -8.600 1.00 0.67 N ATOM 2426 CA ARG B 64 20.899 7.145 -9.678 1.00 0.70 C ATOM 2427 C ARG B 64 19.729 7.602 -10.552 1.00 0.70 C ATOM 2428 O ARG B 64 19.893 7.822 -11.752 1.00 0.75 O ATOM 2429 CB ARG B 64 20.602 5.758 -9.110 1.00 0.70 C ATOM 2430 CG ARG B 64 21.744 5.166 -8.296 1.00 0.72 C ATOM 2431 CD ARG B 64 22.880 4.669 -9.180 1.00 0.81 C ATOM 2432 NE ARG B 64 23.879 5.705 -9.455 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.891 6.003 -8.638 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.050 5.344 -7.492 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.755 6.953 -8.975 1.00 1.07 N ATOM 0 H ARG B 64 20.833 7.800 -7.685 1.00 0.67 H new ATOM 0 HA ARG B 64 21.790 7.102 -10.304 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.713 5.816 -8.482 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.367 5.082 -9.932 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.125 5.919 -7.606 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.368 4.341 -7.691 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.366 3.821 -8.697 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.469 4.307 -10.123 1.00 0.81 H new ATOM 0 HE ARG B 64 23.796 6.231 -10.325 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.396 4.606 -7.233 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.826 5.578 -6.873 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.644 7.453 -9.857 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.529 7.182 -8.352 1.00 1.07 H new ATOM 2449 N PHE B 65 18.554 7.755 -9.946 1.00 0.67 N ATOM 2450 CA PHE B 65 17.356 8.162 -10.679 1.00 0.68 C ATOM 2451 C PHE B 65 17.425 9.626 -11.101 1.00 0.70 C ATOM 2452 O PHE B 65 16.789 10.020 -12.078 1.00 0.75 O ATOM 2453 CB PHE B 65 16.101 7.923 -9.833 1.00 0.66 C ATOM 2454 CG PHE B 65 15.273 6.755 -10.295 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.484 6.857 -11.430 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.283 5.558 -9.594 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.719 5.788 -11.859 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.521 4.486 -10.018 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.739 4.602 -11.152 1.00 1.00 C ATOM 0 H PHE B 65 18.405 7.603 -8.948 1.00 0.67 H new ATOM 0 HA PHE B 65 17.303 7.552 -11.581 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.398 7.759 -8.797 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.486 8.822 -9.850 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.467 7.783 -11.986 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.893 5.463 -8.708 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.108 5.880 -12.744 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.536 3.559 -9.464 1.00 1.02 H new ATOM 0 HZ PHE B 65 13.144 3.765 -11.485 1.00 1.00 H new ATOM 2469 N LYS B 66 18.199 10.417 -10.358 1.00 0.68 N ATOM 2470 CA LYS B 66 18.365 11.842 -10.641 1.00 0.71 C ATOM 2471 C LYS B 66 17.017 12.562 -10.592 1.00 0.70 C ATOM 2472 O LYS B 66 16.331 12.712 -11.604 1.00 0.83 O ATOM 2473 CB LYS B 66 19.048 12.042 -12.005 1.00 0.79 C ATOM 2474 CG LYS B 66 19.321 13.496 -12.352 1.00 0.93 C ATOM 2475 CD LYS B 66 20.254 13.619 -13.550 1.00 1.05 C ATOM 2476 CE LYS B 66 19.701 12.914 -14.780 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.562 13.122 -15.972 1.00 1.27 N ATOM 0 H LYS B 66 18.726 10.090 -9.548 1.00 0.68 H new ATOM 0 HA LYS B 66 19.005 12.276 -9.873 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.990 11.494 -12.012 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.420 11.605 -12.782 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.380 14.002 -12.569 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.763 13.999 -11.492 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.414 14.673 -13.778 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.226 13.196 -13.297 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.613 11.847 -14.578 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.697 13.283 -14.989 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 20.151 12.626 -16.788 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.626 14.139 -16.181 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.513 12.747 -15.783 1.00 1.27 H new ATOM 2491 N SER B 67 16.630 12.989 -9.400 1.00 0.66 N ATOM 2492 CA SER B 67 15.362 13.678 -9.218 1.00 0.68 C ATOM 2493 C SER B 67 15.444 14.704 -8.089 1.00 0.69 C ATOM 2494 O SER B 67 15.752 15.873 -8.320 1.00 0.90 O ATOM 2495 CB SER B 67 14.252 12.663 -8.938 1.00 0.68 C ATOM 2496 OG SER B 67 14.127 11.740 -10.010 1.00 1.34 O ATOM 0 H SER B 67 17.175 12.871 -8.546 1.00 0.66 H new ATOM 0 HA SER B 67 15.131 14.215 -10.138 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.469 12.126 -8.014 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.306 13.184 -8.789 1.00 0.68 H new ATOM 0 HG SER B 67 13.413 11.100 -9.809 1.00 1.34 H new ATOM 2502 N GLN B 68 15.177 14.261 -6.867 1.00 0.59 N ATOM 2503 CA GLN B 68 15.208 15.139 -5.707 1.00 0.59 C ATOM 2504 C GLN B 68 15.846 14.425 -4.529 1.00 0.54 C ATOM 2505 O GLN B 68 16.097 13.224 -4.589 1.00 0.52 O ATOM 2506 CB GLN B 68 13.792 15.594 -5.330 1.00 0.64 C ATOM 2507 CG GLN B 68 13.171 16.560 -6.326 1.00 0.79 C ATOM 2508 CD GLN B 68 12.123 15.905 -7.204 1.00 0.85 C ATOM 2509 OE1 GLN B 68 12.155 14.698 -7.441 1.00 1.14 O ATOM 2510 NE2 GLN B 68 11.193 16.700 -7.707 1.00 1.09 N ATOM 0 H GLN B 68 14.935 13.293 -6.654 1.00 0.59 H new ATOM 0 HA GLN B 68 15.801 16.018 -5.961 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.151 14.717 -5.241 1.00 0.64 H new ATOM 0 HB3 GLN B 68 13.822 16.068 -4.349 1.00 0.64 H new ATOM 0 HG2 GLN B 68 12.718 17.391 -5.785 1.00 0.79 H new ATOM 0 HG3 GLN B 68 13.955 16.980 -6.956 1.00 0.79 H new ATOM 0 HE21 GLN B 68 11.200 17.696 -7.487 1.00 1.09 H new ATOM 0 HE22 GLN B 68 10.469 16.317 -8.315 1.00 1.09 H new ATOM 2519 N THR B 69 16.098 15.163 -3.461 1.00 0.56 N ATOM 2520 CA THR B 69 16.700 14.588 -2.271 1.00 0.56 C ATOM 2521 C THR B 69 15.864 14.928 -1.043 1.00 0.54 C ATOM 2522 O THR B 69 15.347 14.044 -0.368 1.00 0.55 O ATOM 2523 CB THR B 69 18.141 15.096 -2.064 1.00 0.63 C ATOM 2524 OG1 THR B 69 18.719 15.457 -3.327 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.001 14.034 -1.399 1.00 0.70 C ATOM 0 H THR B 69 15.895 16.160 -3.394 1.00 0.56 H new ATOM 0 HA THR B 69 16.732 13.507 -2.408 1.00 0.56 H new ATOM 0 HB THR B 69 18.103 15.971 -1.415 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.634 15.780 -3.188 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.013 14.417 -1.264 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.577 13.778 -0.428 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.031 13.144 -2.027 1.00 0.70 H new ATOM 2533 N ASP B 70 15.703 16.220 -0.785 1.00 0.56 N ATOM 2534 CA ASP B 70 14.928 16.686 0.362 1.00 0.58 C ATOM 2535 C ASP B 70 13.443 16.385 0.180 1.00 0.55 C ATOM 2536 O ASP B 70 12.790 15.879 1.090 1.00 0.57 O ATOM 2537 CB ASP B 70 15.141 18.187 0.573 1.00 0.66 C ATOM 2538 CG ASP B 70 14.062 18.814 1.435 1.00 0.76 C ATOM 2539 OD1 ASP B 70 14.167 18.731 2.678 1.00 0.99 O ATOM 2540 OD2 ASP B 70 13.111 19.400 0.872 1.00 0.95 O ATOM 0 H ASP B 70 16.099 16.967 -1.355 1.00 0.56 H new ATOM 0 HA ASP B 70 15.277 16.151 1.245 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.113 18.350 1.038 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.163 18.687 -0.395 1.00 0.66 H new ATOM 2545 N GLN B 71 12.928 16.665 -1.009 1.00 0.56 N ATOM 2546 CA GLN B 71 11.519 16.436 -1.311 1.00 0.58 C ATOM 2547 C GLN B 71 11.254 14.971 -1.631 1.00 0.54 C ATOM 2548 O GLN B 71 10.106 14.564 -1.782 1.00 0.66 O ATOM 2549 CB GLN B 71 11.079 17.306 -2.490 1.00 0.65 C ATOM 2550 CG GLN B 71 10.730 18.734 -2.105 1.00 0.83 C ATOM 2551 CD GLN B 71 10.464 19.609 -3.313 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.329 19.732 -3.773 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.511 20.227 -3.836 1.00 1.18 N ATOM 0 H GLN B 71 13.466 17.053 -1.784 1.00 0.56 H new ATOM 0 HA GLN B 71 10.943 16.706 -0.426 1.00 0.58 H new ATOM 0 HB2 GLN B 71 11.877 17.325 -3.233 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.212 16.846 -2.965 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.850 18.729 -1.462 1.00 0.83 H new ATOM 0 HG3 GLN B 71 11.547 19.161 -1.523 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.436 20.099 -3.426 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.393 20.831 -4.649 1.00 1.18 H new ATOM 2562 N LEU B 72 12.317 14.185 -1.738 1.00 0.51 N ATOM 2563 CA LEU B 72 12.190 12.769 -2.043 1.00 0.49 C ATOM 2564 C LEU B 72 11.766 12.001 -0.799 1.00 0.43 C ATOM 2565 O LEU B 72 12.588 11.688 0.064 1.00 0.51 O ATOM 2566 CB LEU B 72 13.510 12.220 -2.574 1.00 0.57 C ATOM 2567 CG LEU B 72 13.377 11.150 -3.654 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.987 11.784 -4.978 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.677 10.375 -3.792 1.00 1.00 C ATOM 0 H LEU B 72 13.278 14.506 -1.618 1.00 0.51 H new ATOM 0 HA LEU B 72 11.427 12.645 -2.811 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.095 13.048 -2.974 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.075 11.804 -1.740 1.00 0.57 H new ATOM 0 HG LEU B 72 12.592 10.453 -3.362 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.896 11.009 -5.739 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.033 12.299 -4.868 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.753 12.499 -5.278 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.567 9.615 -4.566 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.481 11.058 -4.066 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.917 9.895 -2.843 1.00 1.00 H new ATOM 2581 N VAL B 73 10.479 11.714 -0.703 1.00 0.37 N ATOM 2582 CA VAL B 73 9.943 10.998 0.442 1.00 0.35 C ATOM 2583 C VAL B 73 9.396 9.637 0.024 1.00 0.30 C ATOM 2584 O VAL B 73 8.657 9.530 -0.955 1.00 0.31 O ATOM 2585 CB VAL B 73 8.822 11.805 1.139 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.365 11.110 2.413 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.281 13.225 1.442 1.00 0.55 C ATOM 0 H VAL B 73 9.784 11.967 -1.406 1.00 0.37 H new ATOM 0 HA VAL B 73 10.764 10.858 1.145 1.00 0.35 H new ATOM 0 HB VAL B 73 7.975 11.859 0.455 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.577 11.697 2.885 1.00 0.46 H new ATOM 0 HG12 VAL B 73 7.983 10.118 2.170 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.207 11.016 3.099 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.475 13.771 1.932 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.150 13.194 2.099 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.547 13.728 0.512 1.00 0.55 H new ATOM 2597 N LEU B 74 9.782 8.602 0.756 1.00 0.30 N ATOM 2598 CA LEU B 74 9.316 7.254 0.479 1.00 0.29 C ATOM 2599 C LEU B 74 8.096 6.968 1.343 1.00 0.28 C ATOM 2600 O LEU B 74 8.010 7.441 2.474 1.00 0.36 O ATOM 2601 CB LEU B 74 10.423 6.224 0.743 1.00 0.33 C ATOM 2602 CG LEU B 74 11.459 6.054 -0.378 1.00 0.42 C ATOM 2603 CD1 LEU B 74 10.778 5.880 -1.726 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.420 7.233 -0.415 1.00 0.64 C ATOM 0 H LEU B 74 10.419 8.672 1.549 1.00 0.30 H new ATOM 0 HA LEU B 74 9.044 7.176 -0.574 1.00 0.29 H new ATOM 0 HB2 LEU B 74 10.947 6.507 1.656 1.00 0.33 H new ATOM 0 HB3 LEU B 74 9.956 5.257 0.930 1.00 0.33 H new ATOM 0 HG LEU B 74 12.033 5.152 -0.166 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.534 5.762 -2.503 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.142 4.995 -1.701 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.170 6.758 -1.942 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.143 7.088 -1.217 1.00 0.64 H new ATOM 0 HD22 LEU B 74 11.862 8.152 -0.592 1.00 0.64 H new ATOM 0 HD23 LEU B 74 12.945 7.305 0.538 1.00 0.64 H new ATOM 2616 N ILE B 75 7.147 6.226 0.809 1.00 0.29 N ATOM 2617 CA ILE B 75 5.923 5.917 1.534 1.00 0.33 C ATOM 2618 C ILE B 75 5.778 4.428 1.803 1.00 0.31 C ATOM 2619 O ILE B 75 5.931 3.612 0.897 1.00 0.36 O ATOM 2620 CB ILE B 75 4.686 6.386 0.744 1.00 0.43 C ATOM 2621 CG1 ILE B 75 4.796 7.874 0.387 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.414 6.108 1.530 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.164 8.764 1.555 1.00 0.74 C ATOM 0 H ILE B 75 7.197 5.823 -0.127 1.00 0.29 H new ATOM 0 HA ILE B 75 5.988 6.445 2.485 1.00 0.33 H new ATOM 0 HB ILE B 75 4.641 5.822 -0.187 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.543 7.994 -0.397 1.00 0.47 H new ATOM 0 HG13 ILE B 75 3.844 8.209 -0.026 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.551 6.446 0.957 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.329 5.038 1.717 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.450 6.641 2.480 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.222 9.799 1.219 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.405 8.676 2.333 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.131 8.458 1.955 1.00 0.74 H new ATOM 2635 N PHE B 76 5.470 4.086 3.046 1.00 0.31 N ATOM 2636 CA PHE B 76 5.276 2.696 3.429 1.00 0.35 C ATOM 2637 C PHE B 76 3.834 2.469 3.887 1.00 0.31 C ATOM 2638 O PHE B 76 3.582 1.986 4.993 1.00 0.40 O ATOM 2639 CB PHE B 76 6.275 2.282 4.521 1.00 0.48 C ATOM 2640 CG PHE B 76 6.192 0.828 4.898 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.190 -0.158 3.924 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.103 0.452 6.228 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.101 -1.492 4.271 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.014 -0.882 6.581 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.013 -1.854 5.601 1.00 0.78 C ATOM 0 H PHE B 76 5.349 4.754 3.807 1.00 0.31 H new ATOM 0 HA PHE B 76 5.462 2.068 2.557 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.286 2.502 4.178 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.101 2.889 5.409 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.259 0.120 2.883 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.103 1.209 6.998 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.100 -2.251 3.503 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.945 -1.163 7.622 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.943 -2.897 5.874 1.00 0.78 H new ATOM 2655 N ALA B 77 2.892 2.872 3.036 1.00 0.40 N ATOM 2656 CA ALA B 77 1.462 2.694 3.298 1.00 0.48 C ATOM 2657 C ALA B 77 1.019 3.374 4.591 1.00 0.41 C ATOM 2658 O ALA B 77 0.946 2.747 5.648 1.00 0.44 O ATOM 2659 CB ALA B 77 1.109 1.212 3.332 1.00 0.62 C ATOM 0 H ALA B 77 3.096 3.330 2.148 1.00 0.40 H new ATOM 0 HA ALA B 77 0.924 3.174 2.481 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.043 1.096 3.528 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.353 0.758 2.372 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.678 0.720 4.121 1.00 0.62 H new ATOM 2665 N GLY B 78 0.715 4.658 4.494 1.00 0.46 N ATOM 2666 CA GLY B 78 0.263 5.408 5.651 1.00 0.54 C ATOM 2667 C GLY B 78 1.397 5.980 6.473 1.00 0.50 C ATOM 2668 O GLY B 78 1.165 6.593 7.516 1.00 0.63 O ATOM 0 H GLY B 78 0.773 5.199 3.631 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.382 6.221 5.319 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.343 4.758 6.283 1.00 0.54 H new ATOM 2672 N LYS B 79 2.619 5.806 5.996 1.00 0.42 N ATOM 2673 CA LYS B 79 3.790 6.290 6.711 1.00 0.43 C ATOM 2674 C LYS B 79 4.784 6.923 5.756 1.00 0.39 C ATOM 2675 O LYS B 79 4.959 6.448 4.630 1.00 0.43 O ATOM 2676 CB LYS B 79 4.465 5.134 7.453 1.00 0.50 C ATOM 2677 CG LYS B 79 4.807 5.456 8.897 1.00 0.72 C ATOM 2678 CD LYS B 79 3.617 5.223 9.807 1.00 1.16 C ATOM 2679 CE LYS B 79 2.937 6.526 10.187 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.470 6.354 10.327 1.00 2.02 N ATOM 0 H LYS B 79 2.826 5.333 5.116 1.00 0.42 H new ATOM 0 HA LYS B 79 3.462 7.044 7.426 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.808 4.265 7.429 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.378 4.858 6.925 1.00 0.50 H new ATOM 0 HG2 LYS B 79 5.643 4.837 9.222 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.130 6.494 8.974 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.900 4.570 9.309 1.00 1.16 H new ATOM 0 HD3 LYS B 79 3.945 4.707 10.709 1.00 1.16 H new ATOM 0 HE2 LYS B 79 3.352 6.894 11.125 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.145 7.281 9.429 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.102 7.050 11.006 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 1.014 6.497 9.403 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 1.264 5.394 10.670 1.00 2.02 H new ATOM 2694 N ILE B 80 5.417 7.996 6.205 1.00 0.37 N ATOM 2695 CA ILE B 80 6.410 8.692 5.404 1.00 0.39 C ATOM 2696 C ILE B 80 7.810 8.335 5.883 1.00 0.39 C ATOM 2697 O ILE B 80 8.074 8.313 7.084 1.00 0.61 O ATOM 2698 CB ILE B 80 6.238 10.229 5.454 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.220 10.739 6.901 1.00 0.67 C ATOM 2700 CG2 ILE B 80 4.968 10.649 4.729 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.595 12.202 7.043 1.00 1.18 C ATOM 0 H ILE B 80 5.259 8.405 7.126 1.00 0.37 H new ATOM 0 HA ILE B 80 6.266 8.371 4.372 1.00 0.39 H new ATOM 0 HB ILE B 80 7.094 10.677 4.949 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.224 10.588 7.317 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.908 10.138 7.496 1.00 0.67 H new ATOM 0 HG21 ILE B 80 4.864 11.733 4.775 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.023 10.334 3.687 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.106 10.182 5.205 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.559 12.486 8.095 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.603 12.358 6.659 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.893 12.814 6.477 1.00 1.18 H new ATOM 2713 N LEU B 81 8.694 8.038 4.949 1.00 0.30 N ATOM 2714 CA LEU B 81 10.065 7.691 5.284 1.00 0.34 C ATOM 2715 C LEU B 81 10.980 8.881 5.051 1.00 0.36 C ATOM 2716 O LEU B 81 11.098 9.386 3.927 1.00 0.46 O ATOM 2717 CB LEU B 81 10.544 6.492 4.463 1.00 0.44 C ATOM 2718 CG LEU B 81 10.143 5.119 5.011 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.706 4.791 4.645 1.00 1.01 C ATOM 2720 CD2 LEU B 81 11.081 4.042 4.488 1.00 0.78 C ATOM 0 H LEU B 81 8.488 8.030 3.950 1.00 0.30 H new ATOM 0 HA LEU B 81 10.097 7.418 6.339 1.00 0.34 H new ATOM 0 HB2 LEU B 81 10.154 6.588 3.450 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.631 6.533 4.392 1.00 0.44 H new ATOM 0 HG LEU B 81 10.221 5.151 6.098 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.443 3.811 5.045 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.042 5.545 5.067 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.600 4.781 3.560 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.781 3.073 4.887 1.00 0.78 H new ATOM 0 HD22 LEU B 81 11.034 4.016 3.399 1.00 0.78 H new ATOM 0 HD23 LEU B 81 12.101 4.264 4.802 1.00 0.78 H new ATOM 2732 N LYS B 82 11.617 9.325 6.114 1.00 0.39 N ATOM 2733 CA LYS B 82 12.523 10.452 6.059 1.00 0.47 C ATOM 2734 C LYS B 82 13.759 10.134 6.889 1.00 0.49 C ATOM 2735 O LYS B 82 13.922 9.011 7.357 1.00 0.63 O ATOM 2736 CB LYS B 82 11.821 11.717 6.583 1.00 0.54 C ATOM 2737 CG LYS B 82 12.268 13.003 5.900 1.00 0.94 C ATOM 2738 CD LYS B 82 11.553 14.225 6.467 1.00 1.01 C ATOM 2739 CE LYS B 82 10.115 14.318 5.978 1.00 1.22 C ATOM 2740 NZ LYS B 82 9.606 15.714 6.020 1.00 1.35 N ATOM 0 H LYS B 82 11.521 8.913 7.042 1.00 0.39 H new ATOM 0 HA LYS B 82 12.825 10.637 5.028 1.00 0.47 H new ATOM 0 HB2 LYS B 82 10.745 11.603 6.452 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.004 11.804 7.654 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.345 13.123 6.021 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.074 12.932 4.830 1.00 0.94 H new ATOM 0 HD2 LYS B 82 11.564 14.179 7.556 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.093 15.127 6.180 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.053 13.939 4.958 1.00 1.22 H new ATOM 0 HE3 LYS B 82 9.480 13.681 6.594 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.624 15.736 5.679 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 9.641 16.067 6.998 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.196 16.317 5.412 1.00 1.35 H new ATOM 2754 N ASP B 83 14.624 11.113 7.087 1.00 0.60 N ATOM 2755 CA ASP B 83 15.830 10.907 7.878 1.00 0.68 C ATOM 2756 C ASP B 83 15.509 10.963 9.370 1.00 0.68 C ATOM 2757 O ASP B 83 16.404 11.038 10.210 1.00 0.89 O ATOM 2758 CB ASP B 83 16.899 11.940 7.518 1.00 0.88 C ATOM 2759 CG ASP B 83 16.388 13.365 7.585 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.538 13.737 6.744 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.838 14.123 8.472 1.00 1.52 O ATOM 0 H ASP B 83 14.517 12.056 6.714 1.00 0.60 H new ATOM 0 HA ASP B 83 16.223 9.917 7.648 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.746 11.831 8.196 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.268 11.738 6.512 1.00 0.88 H new ATOM 2766 N GLN B 84 14.221 10.926 9.682 1.00 0.60 N ATOM 2767 CA GLN B 84 13.750 10.949 11.056 1.00 0.67 C ATOM 2768 C GLN B 84 13.510 9.520 11.538 1.00 0.61 C ATOM 2769 O GLN B 84 13.542 9.237 12.735 1.00 0.81 O ATOM 2770 CB GLN B 84 12.461 11.769 11.160 1.00 0.77 C ATOM 2771 CG GLN B 84 12.654 13.252 10.868 1.00 0.93 C ATOM 2772 CD GLN B 84 11.342 13.980 10.635 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.297 13.594 11.162 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.388 15.039 9.842 1.00 1.28 N ATOM 0 H GLN B 84 13.475 10.879 8.988 1.00 0.60 H new ATOM 0 HA GLN B 84 14.507 11.416 11.687 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.726 11.363 10.465 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.048 11.656 12.163 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.179 13.717 11.702 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.289 13.365 9.989 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.274 15.326 9.425 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.538 15.568 9.648 1.00 1.28 H new ATOM 2783 N ASP B 85 13.267 8.626 10.585 1.00 0.52 N ATOM 2784 CA ASP B 85 13.032 7.215 10.875 1.00 0.51 C ATOM 2785 C ASP B 85 14.113 6.377 10.205 1.00 0.44 C ATOM 2786 O ASP B 85 15.071 6.923 9.658 1.00 0.48 O ATOM 2787 CB ASP B 85 11.648 6.778 10.383 1.00 0.61 C ATOM 2788 CG ASP B 85 11.500 6.903 8.880 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.236 8.031 8.405 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.637 5.878 8.176 1.00 0.86 O ATOM 0 H ASP B 85 13.227 8.858 9.592 1.00 0.52 H new ATOM 0 HA ASP B 85 13.068 7.067 11.954 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.471 5.743 10.677 1.00 0.61 H new ATOM 0 HB3 ASP B 85 10.884 7.383 10.872 1.00 0.61 H new ATOM 2795 N THR B 86 13.978 5.061 10.250 1.00 0.49 N ATOM 2796 CA THR B 86 14.964 4.190 9.636 1.00 0.47 C ATOM 2797 C THR B 86 14.308 3.158 8.724 1.00 0.42 C ATOM 2798 O THR B 86 13.397 2.437 9.139 1.00 0.41 O ATOM 2799 CB THR B 86 15.807 3.462 10.697 1.00 0.54 C ATOM 2800 OG1 THR B 86 15.653 4.103 11.971 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.276 3.451 10.305 1.00 0.67 C ATOM 0 H THR B 86 13.202 4.577 10.701 1.00 0.49 H new ATOM 0 HA THR B 86 15.615 4.828 9.039 1.00 0.47 H new ATOM 0 HB THR B 86 15.456 2.432 10.764 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.191 3.632 12.641 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.853 2.931 11.070 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.394 2.938 9.350 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.636 4.476 10.213 1.00 0.67 H new ATOM 2809 N LEU B 87 14.785 3.094 7.483 1.00 0.43 N ATOM 2810 CA LEU B 87 14.279 2.149 6.489 1.00 0.42 C ATOM 2811 C LEU B 87 14.370 0.714 7.002 1.00 0.42 C ATOM 2812 O LEU B 87 13.455 -0.086 6.819 1.00 0.44 O ATOM 2813 CB LEU B 87 15.086 2.285 5.191 1.00 0.51 C ATOM 2814 CG LEU B 87 14.741 1.278 4.092 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.814 1.907 3.061 1.00 0.61 C ATOM 2816 CD2 LEU B 87 16.009 0.763 3.427 1.00 0.66 C ATOM 0 H LEU B 87 15.533 3.695 7.138 1.00 0.43 H new ATOM 0 HA LEU B 87 13.231 2.380 6.298 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.940 3.291 4.797 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.145 2.187 5.430 1.00 0.51 H new ATOM 0 HG LEU B 87 14.223 0.434 4.548 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.580 1.175 2.288 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.893 2.228 3.548 1.00 0.61 H new ATOM 0 HD13 LEU B 87 14.304 2.769 2.609 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.746 0.048 2.648 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.553 1.598 2.985 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.637 0.274 4.171 1.00 0.66 H new ATOM 2828 N ILE B 88 15.471 0.416 7.678 1.00 0.47 N ATOM 2829 CA ILE B 88 15.715 -0.915 8.219 1.00 0.53 C ATOM 2830 C ILE B 88 15.087 -1.098 9.602 1.00 0.54 C ATOM 2831 O ILE B 88 15.437 -2.024 10.329 1.00 0.66 O ATOM 2832 CB ILE B 88 17.231 -1.185 8.324 1.00 0.62 C ATOM 2833 CG1 ILE B 88 17.883 -0.192 9.291 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.875 -1.088 6.948 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.075 -0.760 10.027 1.00 0.91 C ATOM 0 H ILE B 88 16.217 1.086 7.866 1.00 0.47 H new ATOM 0 HA ILE B 88 15.252 -1.623 7.531 1.00 0.53 H new ATOM 0 HB ILE B 88 17.383 -2.193 8.711 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.197 0.691 8.735 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.140 0.136 10.018 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.945 -1.280 7.033 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.425 -1.825 6.283 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.717 -0.089 6.542 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.486 -0.002 10.694 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.763 -1.626 10.611 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.836 -1.062 9.308 1.00 0.91 H new ATOM 2847 N GLN B 89 14.167 -0.219 9.968 1.00 0.48 N ATOM 2848 CA GLN B 89 13.526 -0.310 11.273 1.00 0.53 C ATOM 2849 C GLN B 89 12.017 -0.523 11.147 1.00 0.52 C ATOM 2850 O GLN B 89 11.382 -1.072 12.050 1.00 0.71 O ATOM 2851 CB GLN B 89 13.820 0.950 12.094 1.00 0.57 C ATOM 2852 CG GLN B 89 13.355 0.871 13.539 1.00 0.69 C ATOM 2853 CD GLN B 89 13.967 -0.297 14.285 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.043 -0.180 14.873 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.287 -1.429 14.259 1.00 0.89 N ATOM 0 H GLN B 89 13.849 0.558 9.388 1.00 0.48 H new ATOM 0 HA GLN B 89 13.939 -1.177 11.788 1.00 0.53 H new ATOM 0 HB2 GLN B 89 14.893 1.138 12.079 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.340 1.803 11.615 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.612 1.799 14.051 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.269 0.784 13.563 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.399 -1.479 13.759 1.00 0.89 H new ATOM 0 HE22 GLN B 89 13.649 -2.253 14.739 1.00 0.89 H new ATOM 2864 N HIS B 90 11.443 -0.105 10.028 1.00 0.49 N ATOM 2865 CA HIS B 90 10.007 -0.259 9.823 1.00 0.51 C ATOM 2866 C HIS B 90 9.657 -0.339 8.342 1.00 0.50 C ATOM 2867 O HIS B 90 8.815 -1.142 7.948 1.00 0.75 O ATOM 2868 CB HIS B 90 9.247 0.901 10.485 1.00 0.59 C ATOM 2869 CG HIS B 90 7.758 0.815 10.332 1.00 0.72 C ATOM 2870 ND1 HIS B 90 6.985 1.874 9.907 1.00 0.96 N ATOM 2871 CD2 HIS B 90 6.905 -0.213 10.537 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.719 1.501 9.858 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.646 0.238 10.232 1.00 1.10 N ATOM 0 H HIS B 90 11.941 0.338 9.256 1.00 0.49 H new ATOM 0 HA HIS B 90 9.705 -1.197 10.288 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.493 0.925 11.547 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.593 1.841 10.056 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.166 -1.204 10.877 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.887 2.123 9.563 1.00 1.14 H new ATOM 0 HE2 HIS B 90 4.790 -0.315 10.286 1.00 1.10 H new ATOM 2882 N GLY B 91 10.298 0.503 7.539 1.00 0.45 N ATOM 2883 CA GLY B 91 10.033 0.535 6.113 1.00 0.46 C ATOM 2884 C GLY B 91 10.189 -0.807 5.421 1.00 0.45 C ATOM 2885 O GLY B 91 9.216 -1.379 4.936 1.00 0.64 O ATOM 0 H GLY B 91 11.003 1.170 7.854 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.018 0.899 5.951 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.707 1.253 5.646 1.00 0.46 H new ATOM 2889 N ILE B 92 11.406 -1.320 5.370 1.00 0.38 N ATOM 2890 CA ILE B 92 11.653 -2.586 4.705 1.00 0.39 C ATOM 2891 C ILE B 92 12.130 -3.647 5.681 1.00 0.41 C ATOM 2892 O ILE B 92 13.188 -3.520 6.300 1.00 0.46 O ATOM 2893 CB ILE B 92 12.683 -2.439 3.565 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.265 -1.320 2.604 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.844 -3.755 2.816 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.951 -1.573 1.893 1.00 0.43 C ATOM 0 H ILE B 92 12.232 -0.883 5.778 1.00 0.38 H new ATOM 0 HA ILE B 92 10.700 -2.902 4.280 1.00 0.39 H new ATOM 0 HB ILE B 92 13.645 -2.174 4.003 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.190 -0.386 3.161 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.049 -1.184 1.859 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.574 -3.631 2.016 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.188 -4.526 3.505 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.885 -4.051 2.390 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.728 -0.735 1.232 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.025 -2.488 1.306 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.154 -1.678 2.629 1.00 0.43 H new ATOM 2908 N HIS B 93 11.330 -4.690 5.820 1.00 0.46 N ATOM 2909 CA HIS B 93 11.669 -5.796 6.697 1.00 0.52 C ATOM 2910 C HIS B 93 12.421 -6.843 5.893 1.00 0.54 C ATOM 2911 O HIS B 93 13.550 -7.207 6.220 1.00 0.66 O ATOM 2912 CB HIS B 93 10.410 -6.395 7.332 1.00 0.58 C ATOM 2913 CG HIS B 93 9.828 -5.548 8.417 1.00 0.65 C ATOM 2914 ND1 HIS B 93 8.734 -4.728 8.231 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.195 -5.395 9.708 1.00 1.25 C ATOM 2916 CE1 HIS B 93 8.459 -4.106 9.362 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.329 -4.495 10.272 1.00 1.10 N ATOM 0 H HIS B 93 10.439 -4.794 5.335 1.00 0.46 H new ATOM 0 HA HIS B 93 12.302 -5.437 7.509 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.658 -6.546 6.557 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.650 -7.378 7.738 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.017 -5.890 10.203 1.00 1.25 H new ATOM 0 HE1 HIS B 93 7.657 -3.399 9.516 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.354 -4.177 11.241 1.00 1.10 H new ATOM 2926 N ASP B 94 11.788 -7.310 4.824 1.00 0.58 N ATOM 2927 CA ASP B 94 12.391 -8.294 3.935 1.00 0.63 C ATOM 2928 C ASP B 94 11.684 -8.281 2.582 1.00 0.78 C ATOM 2929 O ASP B 94 10.792 -9.088 2.326 1.00 1.65 O ATOM 2930 CB ASP B 94 12.329 -9.694 4.554 1.00 0.67 C ATOM 2931 CG ASP B 94 12.966 -10.755 3.676 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.081 -10.521 3.156 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.363 -11.838 3.513 1.00 1.08 O ATOM 0 H ASP B 94 10.849 -7.020 4.551 1.00 0.58 H new ATOM 0 HA ASP B 94 13.439 -8.032 3.789 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.831 -9.681 5.522 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.288 -9.959 4.738 1.00 0.67 H new ATOM 2938 N GLY B 95 12.057 -7.328 1.736 1.00 0.57 N ATOM 2939 CA GLY B 95 11.456 -7.216 0.416 1.00 0.52 C ATOM 2940 C GLY B 95 10.059 -6.622 0.449 1.00 0.46 C ATOM 2941 O GLY B 95 9.073 -7.348 0.587 1.00 0.53 O ATOM 0 H GLY B 95 12.769 -6.626 1.940 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.093 -6.597 -0.216 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.414 -8.204 -0.043 1.00 0.52 H new ATOM 2945 N LEU B 96 9.966 -5.303 0.322 1.00 0.41 N ATOM 2946 CA LEU B 96 8.673 -4.620 0.336 1.00 0.40 C ATOM 2947 C LEU B 96 8.659 -3.474 -0.670 1.00 0.37 C ATOM 2948 O LEU B 96 9.693 -3.136 -1.252 1.00 0.41 O ATOM 2949 CB LEU B 96 8.338 -4.101 1.741 1.00 0.44 C ATOM 2950 CG LEU B 96 7.811 -5.159 2.717 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.809 -4.625 4.141 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.413 -5.605 2.319 1.00 0.70 C ATOM 0 H LEU B 96 10.769 -4.684 0.208 1.00 0.41 H new ATOM 0 HA LEU B 96 7.910 -5.344 0.050 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.234 -3.650 2.168 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.594 -3.309 1.651 1.00 0.44 H new ATOM 0 HG LEU B 96 8.476 -6.021 2.673 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.431 -5.392 4.817 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.825 -4.355 4.430 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.169 -3.744 4.198 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.056 -6.356 3.024 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.740 -4.747 2.331 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.439 -6.032 1.316 1.00 0.70 H new ATOM 2964 N THR B 97 7.488 -2.884 -0.867 1.00 0.39 N ATOM 2965 CA THR B 97 7.318 -1.796 -1.818 1.00 0.39 C ATOM 2966 C THR B 97 7.089 -0.457 -1.122 1.00 0.37 C ATOM 2967 O THR B 97 6.360 -0.382 -0.135 1.00 0.46 O ATOM 2968 CB THR B 97 6.116 -2.079 -2.735 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.043 -2.635 -1.962 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.488 -3.038 -3.852 1.00 0.78 C ATOM 0 H THR B 97 6.634 -3.145 -0.375 1.00 0.39 H new ATOM 0 HA THR B 97 8.239 -1.734 -2.398 1.00 0.39 H new ATOM 0 HB THR B 97 5.802 -1.137 -3.185 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.341 -2.960 -2.563 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.617 -3.218 -4.482 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.288 -2.604 -4.453 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.827 -3.981 -3.424 1.00 0.78 H new ATOM 2978 N VAL B 98 7.712 0.590 -1.647 1.00 0.33 N ATOM 2979 CA VAL B 98 7.562 1.935 -1.109 1.00 0.31 C ATOM 2980 C VAL B 98 7.263 2.912 -2.243 1.00 0.30 C ATOM 2981 O VAL B 98 7.820 2.793 -3.335 1.00 0.36 O ATOM 2982 CB VAL B 98 8.819 2.406 -0.344 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.877 1.778 1.039 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.083 2.099 -1.131 1.00 0.34 C ATOM 0 H VAL B 98 8.333 0.531 -2.454 1.00 0.33 H new ATOM 0 HA VAL B 98 6.734 1.910 -0.400 1.00 0.31 H new ATOM 0 HB VAL B 98 8.753 3.487 -0.223 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.770 2.124 1.559 1.00 0.37 H new ATOM 0 HG12 VAL B 98 7.992 2.066 1.607 1.00 0.37 H new ATOM 0 HG13 VAL B 98 8.910 0.693 0.945 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.953 2.441 -0.570 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.157 1.024 -1.296 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.047 2.612 -2.092 1.00 0.34 H new ATOM 2994 N HIS B 99 6.374 3.862 -1.996 1.00 0.29 N ATOM 2995 CA HIS B 99 6.009 4.841 -3.019 1.00 0.31 C ATOM 2996 C HIS B 99 6.865 6.093 -2.903 1.00 0.30 C ATOM 2997 O HIS B 99 7.129 6.570 -1.806 1.00 0.47 O ATOM 2998 CB HIS B 99 4.529 5.216 -2.910 1.00 0.38 C ATOM 2999 CG HIS B 99 3.934 5.641 -4.217 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.668 4.753 -5.232 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.568 6.861 -4.683 1.00 0.71 C ATOM 3002 CE1 HIS B 99 3.177 5.400 -6.265 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.097 6.679 -5.959 1.00 0.81 N ATOM 0 H HIS B 99 5.893 3.979 -1.104 1.00 0.29 H new ATOM 0 HA HIS B 99 6.187 4.383 -3.992 1.00 0.31 H new ATOM 0 HB2 HIS B 99 3.971 4.363 -2.524 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.417 6.024 -2.187 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.827 3.746 -5.190 1.00 0.68 H new ATOM 0 HD2 HIS B 99 3.635 7.798 -4.151 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.888 4.958 -7.207 1.00 0.81 H new ATOM 3012 N LEU B 100 7.302 6.619 -4.032 1.00 0.31 N ATOM 3013 CA LEU B 100 8.124 7.819 -4.047 1.00 0.32 C ATOM 3014 C LEU B 100 7.268 9.054 -4.313 1.00 0.32 C ATOM 3015 O LEU B 100 6.657 9.177 -5.377 1.00 0.40 O ATOM 3016 CB LEU B 100 9.209 7.689 -5.116 1.00 0.37 C ATOM 3017 CG LEU B 100 10.278 8.785 -5.115 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.669 8.170 -5.091 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.115 9.688 -6.333 1.00 0.91 C ATOM 0 H LEU B 100 7.102 6.234 -4.955 1.00 0.31 H new ATOM 0 HA LEU B 100 8.595 7.933 -3.071 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.703 6.725 -4.991 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.729 7.676 -6.095 1.00 0.37 H new ATOM 0 HG LEU B 100 10.153 9.390 -4.217 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.417 8.963 -5.091 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.783 7.563 -4.193 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.805 7.543 -5.972 1.00 0.85 H new ATOM 0 HD21 LEU B 100 10.882 10.462 -6.318 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.216 9.095 -7.242 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.130 10.154 -6.311 1.00 0.91 H new ATOM 3031 N VAL B 101 7.213 9.957 -3.340 1.00 0.30 N ATOM 3032 CA VAL B 101 6.437 11.185 -3.473 1.00 0.32 C ATOM 3033 C VAL B 101 7.329 12.403 -3.257 1.00 0.33 C ATOM 3034 O VAL B 101 8.508 12.265 -2.922 1.00 0.38 O ATOM 3035 CB VAL B 101 5.256 11.246 -2.472 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.342 10.041 -2.632 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.758 11.354 -1.038 1.00 0.52 C ATOM 0 H VAL B 101 7.698 9.861 -2.448 1.00 0.30 H new ATOM 0 HA VAL B 101 6.029 11.189 -4.484 1.00 0.32 H new ATOM 0 HB VAL B 101 4.678 12.142 -2.696 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.522 10.109 -1.917 1.00 0.50 H new ATOM 0 HG12 VAL B 101 3.940 10.021 -3.645 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.908 9.128 -2.448 1.00 0.50 H new ATOM 0 HG21 VAL B 101 4.908 11.395 -0.357 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.371 10.485 -0.801 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.355 12.260 -0.929 1.00 0.52 H new ATOM 3047 N ILE B 102 6.762 13.591 -3.443 1.00 0.36 N ATOM 3048 CA ILE B 102 7.503 14.835 -3.269 1.00 0.41 C ATOM 3049 C ILE B 102 6.675 15.849 -2.481 1.00 0.51 C ATOM 3050 O ILE B 102 6.194 16.847 -3.030 1.00 0.79 O ATOM 3051 CB ILE B 102 7.940 15.466 -4.618 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.824 15.364 -5.678 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.229 14.823 -5.116 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.883 14.117 -6.539 1.00 1.32 C ATOM 0 H ILE B 102 5.787 13.718 -3.715 1.00 0.36 H new ATOM 0 HA ILE B 102 8.406 14.580 -2.714 1.00 0.41 H new ATOM 0 HB ILE B 102 8.129 16.526 -4.447 1.00 0.52 H new ATOM 0 HG12 ILE B 102 5.858 15.396 -5.174 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.875 16.239 -6.325 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.520 15.278 -6.063 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.020 14.976 -4.381 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.070 13.754 -5.260 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.061 14.130 -7.255 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.831 14.090 -7.076 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.799 13.234 -5.906 1.00 1.32 H new ATOM 3066 N LYS B 103 6.503 15.587 -1.192 1.00 0.59 N ATOM 3067 CA LYS B 103 5.728 16.469 -0.335 1.00 0.76 C ATOM 3068 C LYS B 103 6.477 16.739 0.963 1.00 0.91 C ATOM 3069 O LYS B 103 6.938 15.768 1.601 1.00 1.07 O ATOM 3070 CB LYS B 103 4.353 15.864 -0.025 1.00 0.86 C ATOM 3071 CG LYS B 103 3.559 15.480 -1.266 1.00 1.00 C ATOM 3072 CD LYS B 103 2.059 15.501 -1.008 1.00 1.15 C ATOM 3073 CE LYS B 103 1.278 15.099 -2.248 1.00 1.32 C ATOM 3074 NZ LYS B 103 -0.097 15.660 -2.252 1.00 1.74 N ATOM 3075 OXT LYS B 103 6.606 17.923 1.342 1.00 1.20 O ATOM 0 H LYS B 103 6.890 14.771 -0.719 1.00 0.59 H new ATOM 0 HA LYS B 103 5.581 17.410 -0.866 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.487 14.979 0.598 1.00 0.86 H new ATOM 0 HB3 LYS B 103 3.774 16.580 0.559 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.798 16.168 -2.077 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.857 14.484 -1.594 1.00 1.00 H new ATOM 0 HD2 LYS B 103 1.819 14.822 -0.189 1.00 1.15 H new ATOM 0 HD3 LYS B 103 1.756 16.500 -0.693 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.810 15.439 -3.136 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.225 14.012 -2.305 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 -0.748 14.980 -2.693 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 -0.399 15.845 -1.274 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 -0.108 16.549 -2.791 1.00 1.74 H new TER 3089 LYS B 103