USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 TYR OH : rot -140:sc= 1.03 USER MOD Set 1.2: A 132 SER OG : rot 130:sc= 1.19 USER MOD Set 2.1: A 71 CYS SG : rot -50:sc= -4.87! USER MOD Set 2.2: A 125 MET CE :methyl 151:sc= -2.46 (180deg=-4.77!) USER MOD Set 3.1: A 58 ASN : amide:sc= 0.175 K(o=0.72,f=-1.2) USER MOD Set 3.2: A 61 SER OG : rot -98:sc= 0.54 USER MOD Set 4.1: A 38 THR OG1 : rot -83:sc= 0.713 USER MOD Set 4.2: A 120 GLN : amide:sc= -2.52! C(o=-1.8!,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.542 K(o=-0.54,f=-3.8!) USER MOD Single : A 15 SER OG : rot -40:sc= 1.21 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 56:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 1.7 (180deg=1.16) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 0.229 (180deg=0.146) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00286 K(o=-0.0029,f=-0.75) USER MOD Single : A 33 MET CE :methyl 175:sc= -5.92! (180deg=-5.96!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.819 K(o=-0.82,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0148) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0681 (180deg=-0.348) USER MOD Single : A 67 TYR OH : rot 110:sc= -1.27 USER MOD Single : A 68 SER OG : rot -66:sc= 0.865 USER MOD Single : A 72 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.88) USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= 2.1 (180deg=1.03) USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= -0.0779 (180deg=-0.485) USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 0.616 (180deg=0.376) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00444 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -137:sc= 0.99 (180deg=-0.461) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= -0.0183 (180deg=-0.162) USER MOD Single : A 109 MET CE :methyl -147:sc= 0 (180deg=-0.461) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 95:sc= 0.614 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc=0.000192 USER MOD Single : A 134 SER OG : rot 150:sc= 0.0199 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 142:sc= -2.57 (180deg=-10.3!) USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.15) USER MOD Single : A 144 MET CE :methyl 168:sc= -0.279 (180deg=-0.589) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= -0.613 K(o=-0.61,f=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -180:sc= -0.778 USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -13.124 -7.509 -7.816 1.00 0.53 N ATOM 34 CA LYS A 5 -12.990 -7.752 -6.387 1.00 0.46 C ATOM 35 C LYS A 5 -11.571 -7.476 -5.914 1.00 0.34 C ATOM 36 O LYS A 5 -10.596 -7.847 -6.569 1.00 0.39 O ATOM 37 CB LYS A 5 -13.401 -9.186 -6.043 1.00 0.54 C ATOM 38 CG LYS A 5 -13.283 -9.520 -4.562 1.00 0.60 C ATOM 39 CD LYS A 5 -13.888 -10.877 -4.241 1.00 0.89 C ATOM 40 CE LYS A 5 -13.240 -11.991 -5.048 1.00 1.36 C ATOM 41 NZ LYS A 5 -13.914 -13.298 -4.833 1.00 1.61 N ATOM 0 HA LYS A 5 -13.658 -7.066 -5.867 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -14.431 -9.345 -6.361 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.781 -9.878 -6.613 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -12.233 -9.512 -4.270 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.784 -8.750 -3.974 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -13.771 -11.084 -3.177 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -14.958 -10.855 -4.446 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -13.271 -11.737 -6.107 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -12.189 -12.075 -4.771 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -13.441 -14.030 -5.401 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -13.862 -13.554 -3.826 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -14.911 -13.226 -5.121 1.00 1.61 H new ATOM 55 N GLY A 6 -11.470 -6.813 -4.777 1.00 0.26 N ATOM 56 CA GLY A 6 -10.183 -6.448 -4.229 1.00 0.20 C ATOM 57 C GLY A 6 -10.291 -5.176 -3.424 1.00 0.17 C ATOM 58 O GLY A 6 -11.401 -4.724 -3.141 1.00 0.24 O ATOM 0 H GLY A 6 -12.268 -6.517 -4.216 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.809 -7.254 -3.598 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.463 -6.314 -5.036 1.00 0.20 H new ATOM 62 N ALA A 7 -9.165 -4.579 -3.075 1.00 0.15 N ATOM 63 CA ALA A 7 -9.181 -3.341 -2.311 1.00 0.14 C ATOM 64 C ALA A 7 -8.604 -2.197 -3.129 1.00 0.14 C ATOM 65 O ALA A 7 -7.726 -2.406 -3.958 1.00 0.18 O ATOM 66 CB ALA A 7 -8.420 -3.500 -1.007 1.00 0.16 C ATOM 0 H ALA A 7 -8.234 -4.927 -3.305 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.218 -3.105 -2.073 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.446 -2.561 -0.454 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.882 -4.286 -0.410 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.385 -3.767 -1.220 1.00 0.16 H new ATOM 72 N TYR A 8 -9.106 -0.998 -2.899 1.00 0.12 N ATOM 73 CA TYR A 8 -8.653 0.180 -3.627 1.00 0.13 C ATOM 74 C TYR A 8 -8.250 1.285 -2.659 1.00 0.12 C ATOM 75 O TYR A 8 -8.986 1.597 -1.725 1.00 0.13 O ATOM 76 CB TYR A 8 -9.752 0.669 -4.582 1.00 0.16 C ATOM 77 CG TYR A 8 -9.612 0.149 -6.007 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.576 0.580 -6.822 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.523 -0.744 -6.545 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.456 0.138 -8.127 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.408 -1.197 -7.847 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.372 -0.748 -8.633 1.00 0.45 C ATOM 83 OH TYR A 8 -9.253 -1.186 -9.931 1.00 0.57 O ATOM 0 H TYR A 8 -9.833 -0.810 -2.209 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.777 -0.090 -4.217 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.722 0.365 -4.189 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.743 1.759 -4.601 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.848 1.275 -6.430 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.342 -1.095 -5.934 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.643 0.490 -8.746 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.127 -1.899 -8.244 1.00 0.48 H new ATOM 0 HH TYR A 8 -9.981 -1.810 -10.134 1.00 0.57 H new ATOM 93 N LEU A 9 -7.066 1.845 -2.877 1.00 0.12 N ATOM 94 CA LEU A 9 -6.559 2.949 -2.069 1.00 0.12 C ATOM 95 C LEU A 9 -7.074 4.249 -2.652 1.00 0.11 C ATOM 96 O LEU A 9 -6.787 4.573 -3.795 1.00 0.13 O ATOM 97 CB LEU A 9 -5.023 2.940 -2.067 1.00 0.12 C ATOM 98 CG LEU A 9 -4.309 3.842 -1.041 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.486 5.317 -1.347 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.770 3.542 0.371 1.00 0.12 C ATOM 0 H LEU A 9 -6.431 1.548 -3.618 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.902 2.844 -1.040 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.693 1.915 -1.901 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.683 3.228 -3.062 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.246 3.614 -1.119 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.964 5.910 -0.595 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -4.074 5.536 -2.332 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.547 5.567 -1.334 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.248 4.195 1.071 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.844 3.713 0.447 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.550 2.502 0.612 1.00 0.12 H new ATOM 112 N VAL A 10 -7.821 4.986 -1.867 1.00 0.12 N ATOM 113 CA VAL A 10 -8.451 6.201 -2.343 1.00 0.14 C ATOM 114 C VAL A 10 -8.003 7.392 -1.510 1.00 0.16 C ATOM 115 O VAL A 10 -7.679 7.246 -0.333 1.00 0.14 O ATOM 116 CB VAL A 10 -9.992 6.107 -2.287 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.606 6.666 -3.566 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.455 4.673 -2.036 1.00 0.16 C ATOM 0 H VAL A 10 -8.011 4.767 -0.889 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.146 6.333 -3.381 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.337 6.711 -1.448 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.692 6.592 -3.511 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.319 7.711 -3.681 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.247 6.095 -4.422 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.544 4.643 -2.002 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.099 4.030 -2.841 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -10.053 4.322 -1.086 1.00 0.16 H new ATOM 128 N PHE A 11 -7.962 8.558 -2.131 1.00 0.23 N ATOM 129 CA PHE A 11 -7.647 9.789 -1.426 1.00 0.27 C ATOM 130 C PHE A 11 -8.924 10.568 -1.140 1.00 0.33 C ATOM 131 O PHE A 11 -9.772 10.747 -2.020 1.00 0.42 O ATOM 132 CB PHE A 11 -6.668 10.635 -2.248 1.00 0.35 C ATOM 133 CG PHE A 11 -6.466 12.039 -1.740 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.655 12.293 -0.643 1.00 0.66 C ATOM 135 CD2 PHE A 11 -7.075 13.109 -2.377 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.458 13.584 -0.194 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.885 14.403 -1.929 1.00 0.90 C ATOM 138 CZ PHE A 11 -6.075 14.640 -0.837 1.00 0.90 C ATOM 0 H PHE A 11 -8.144 8.679 -3.127 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.172 9.543 -0.476 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.703 10.129 -2.270 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -7.026 10.684 -3.276 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.172 11.472 -0.134 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.706 12.929 -3.235 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.822 13.768 0.659 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -7.369 15.227 -2.432 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.924 15.650 -0.485 1.00 0.90 H new ATOM 148 N ASP A 12 -9.067 11.012 0.092 1.00 0.32 N ATOM 149 CA ASP A 12 -10.219 11.800 0.489 1.00 0.39 C ATOM 150 C ASP A 12 -9.752 13.144 1.021 1.00 0.41 C ATOM 151 O ASP A 12 -8.636 13.263 1.526 1.00 0.36 O ATOM 152 CB ASP A 12 -11.036 11.058 1.548 1.00 0.42 C ATOM 153 CG ASP A 12 -12.374 11.717 1.804 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.338 11.421 1.076 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.470 12.531 2.744 1.00 0.61 O ATOM 0 H ASP A 12 -8.396 10.840 0.841 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.859 11.962 -0.379 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.196 10.029 1.226 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.469 11.017 2.478 1.00 0.42 H new ATOM 160 N ASN A 13 -10.595 14.158 0.900 1.00 0.52 N ATOM 161 CA ASN A 13 -10.203 15.512 1.269 1.00 0.56 C ATOM 162 C ASN A 13 -10.463 15.794 2.746 1.00 0.57 C ATOM 163 O ASN A 13 -10.300 16.926 3.202 1.00 0.65 O ATOM 164 CB ASN A 13 -10.914 16.545 0.384 1.00 0.71 C ATOM 165 CG ASN A 13 -12.429 16.517 0.496 1.00 1.50 C ATOM 166 OD1 ASN A 13 -12.992 16.277 1.564 1.00 2.37 O ATOM 167 ND2 ASN A 13 -13.101 16.755 -0.617 1.00 2.16 N ATOM 0 H ASN A 13 -11.550 14.072 0.551 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.129 15.597 1.105 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -10.559 17.541 0.649 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.634 16.372 -0.655 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -14.121 16.744 -0.609 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -12.600 16.950 -1.484 1.00 2.16 H new ATOM 174 N ALA A 14 -10.883 14.773 3.485 1.00 0.55 N ATOM 175 CA ALA A 14 -11.039 14.895 4.927 1.00 0.59 C ATOM 176 C ALA A 14 -9.706 15.265 5.563 1.00 0.66 C ATOM 177 O ALA A 14 -8.684 14.636 5.277 1.00 1.31 O ATOM 178 CB ALA A 14 -11.567 13.598 5.517 1.00 0.60 C ATOM 0 H ALA A 14 -11.121 13.855 3.109 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.761 15.684 5.137 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.677 13.707 6.596 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.536 13.365 5.075 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.867 12.790 5.304 1.00 0.60 H new ATOM 184 N SER A 15 -9.715 16.303 6.395 1.00 0.60 N ATOM 185 CA SER A 15 -8.495 16.811 7.018 1.00 0.54 C ATOM 186 C SER A 15 -7.493 17.237 5.940 1.00 0.52 C ATOM 187 O SER A 15 -6.276 17.210 6.150 1.00 0.53 O ATOM 188 CB SER A 15 -7.890 15.748 7.949 1.00 0.53 C ATOM 189 OG SER A 15 -6.787 16.258 8.682 1.00 1.23 O ATOM 0 H SER A 15 -10.560 16.812 6.655 1.00 0.60 H new ATOM 0 HA SER A 15 -8.739 17.686 7.621 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.654 15.393 8.641 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.569 14.889 7.360 1.00 0.53 H new ATOM 0 HG SER A 15 -6.248 16.836 8.102 1.00 1.23 H new ATOM 195 N ASN A 16 -8.037 17.621 4.779 1.00 0.53 N ATOM 196 CA ASN A 16 -7.255 18.022 3.608 1.00 0.57 C ATOM 197 C ASN A 16 -6.331 16.904 3.128 1.00 0.52 C ATOM 198 O ASN A 16 -5.334 17.161 2.453 1.00 0.68 O ATOM 199 CB ASN A 16 -6.440 19.291 3.881 1.00 0.66 C ATOM 200 CG ASN A 16 -7.301 20.526 4.062 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.698 20.864 5.176 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.582 21.221 2.970 1.00 1.30 N ATOM 0 H ASN A 16 -9.045 17.662 4.627 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.974 18.234 2.816 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.837 19.142 4.777 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.749 19.456 3.055 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -8.146 22.068 3.036 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -7.235 20.909 2.063 1.00 1.30 H new ATOM 209 N GLY A 17 -6.658 15.667 3.472 1.00 0.39 N ATOM 210 CA GLY A 17 -5.861 14.546 3.023 1.00 0.34 C ATOM 211 C GLY A 17 -6.058 13.317 3.878 1.00 0.28 C ATOM 212 O GLY A 17 -5.557 13.250 4.995 1.00 0.29 O ATOM 0 H GLY A 17 -7.459 15.421 4.053 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.119 14.311 1.990 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.808 14.826 3.033 1.00 0.34 H new ATOM 216 N THR A 18 -6.799 12.356 3.360 1.00 0.27 N ATOM 217 CA THR A 18 -7.000 11.084 4.035 1.00 0.24 C ATOM 218 C THR A 18 -6.880 9.933 3.039 1.00 0.18 C ATOM 219 O THR A 18 -7.171 10.101 1.855 1.00 0.19 O ATOM 220 CB THR A 18 -8.385 11.021 4.724 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.492 12.050 5.715 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.616 9.666 5.380 1.00 0.33 C ATOM 0 H THR A 18 -7.278 12.433 2.463 1.00 0.27 H new ATOM 0 HA THR A 18 -6.228 10.993 4.799 1.00 0.24 H new ATOM 0 HB THR A 18 -9.143 11.169 3.955 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.324 12.922 5.301 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.597 9.654 5.855 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.570 8.883 4.623 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.847 9.490 6.132 1.00 0.33 H new ATOM 230 N LEU A 19 -6.442 8.777 3.519 1.00 0.15 N ATOM 231 CA LEU A 19 -6.397 7.582 2.699 1.00 0.13 C ATOM 232 C LEU A 19 -7.538 6.660 3.058 1.00 0.14 C ATOM 233 O LEU A 19 -7.977 6.609 4.207 1.00 0.21 O ATOM 234 CB LEU A 19 -5.086 6.826 2.861 1.00 0.14 C ATOM 235 CG LEU A 19 -3.851 7.536 2.336 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.711 6.538 2.219 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.153 8.206 0.999 1.00 0.58 C ATOM 0 H LEU A 19 -6.113 8.645 4.475 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.482 7.905 1.661 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.938 6.613 3.920 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.175 5.866 2.352 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.552 8.320 3.031 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.822 7.044 1.842 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.498 6.112 3.200 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.994 5.741 1.531 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.258 8.711 0.635 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.464 7.452 0.276 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.953 8.935 1.130 1.00 0.58 H new ATOM 249 N PHE A 20 -7.988 5.918 2.078 1.00 0.13 N ATOM 250 CA PHE A 20 -9.156 5.083 2.220 1.00 0.14 C ATOM 251 C PHE A 20 -8.942 3.766 1.489 1.00 0.13 C ATOM 252 O PHE A 20 -8.526 3.749 0.339 1.00 0.12 O ATOM 253 CB PHE A 20 -10.373 5.878 1.684 1.00 0.15 C ATOM 254 CG PHE A 20 -11.624 5.100 1.354 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.912 3.905 1.968 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.519 5.594 0.416 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.059 3.205 1.661 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.670 4.901 0.102 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.940 3.702 0.724 1.00 0.19 C ATOM 0 H PHE A 20 -7.554 5.875 1.156 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.342 4.828 3.263 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.633 6.634 2.424 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.059 6.407 0.784 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.228 3.508 2.703 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.312 6.533 -0.075 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.268 2.267 2.154 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.358 5.298 -0.630 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.838 3.154 0.479 1.00 0.19 H new ATOM 269 N ILE A 21 -9.178 2.668 2.186 1.00 0.15 N ATOM 270 CA ILE A 21 -9.149 1.358 1.565 1.00 0.16 C ATOM 271 C ILE A 21 -10.557 0.797 1.477 1.00 0.18 C ATOM 272 O ILE A 21 -11.231 0.578 2.487 1.00 0.23 O ATOM 273 CB ILE A 21 -8.230 0.361 2.309 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.360 -1.024 1.672 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.557 0.310 3.798 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.461 -2.068 2.283 1.00 0.28 C ATOM 0 H ILE A 21 -9.392 2.659 3.183 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.734 1.488 0.565 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.198 0.701 2.218 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.395 -1.356 1.757 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -8.137 -0.945 0.608 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.894 -0.400 4.292 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.420 1.299 4.235 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.591 -0.006 3.933 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.613 -3.021 1.776 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.421 -1.761 2.174 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.698 -2.178 3.341 1.00 0.28 H new ATOM 288 N VAL A 22 -11.009 0.609 0.259 1.00 0.16 N ATOM 289 CA VAL A 22 -12.342 0.107 0.016 1.00 0.18 C ATOM 290 C VAL A 22 -12.332 -1.415 -0.111 1.00 0.18 C ATOM 291 O VAL A 22 -11.560 -1.985 -0.886 1.00 0.22 O ATOM 292 CB VAL A 22 -12.938 0.745 -1.256 1.00 0.21 C ATOM 293 CG1 VAL A 22 -12.106 0.400 -2.461 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.393 0.336 -1.444 1.00 0.24 C ATOM 0 H VAL A 22 -10.469 0.798 -0.585 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.967 0.378 0.867 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.919 1.828 -1.137 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.542 0.859 -3.348 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -11.091 0.773 -2.321 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -12.081 -0.682 -2.588 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.788 0.800 -2.348 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.457 -0.748 -1.535 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.977 0.663 -0.584 1.00 0.24 H new ATOM 304 N TRP A 23 -13.167 -2.071 0.674 1.00 0.19 N ATOM 305 CA TRP A 23 -13.345 -3.507 0.553 1.00 0.21 C ATOM 306 C TRP A 23 -14.656 -3.800 -0.161 1.00 0.24 C ATOM 307 O TRP A 23 -15.742 -3.628 0.398 1.00 0.27 O ATOM 308 CB TRP A 23 -13.295 -4.192 1.920 1.00 0.23 C ATOM 309 CG TRP A 23 -11.899 -4.362 2.438 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.374 -3.842 3.586 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.840 -5.098 1.809 1.00 0.21 C ATOM 312 NE1 TRP A 23 -10.056 -4.217 3.713 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.706 -4.987 2.633 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.745 -5.845 0.629 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.491 -5.590 2.313 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.538 -6.440 0.313 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.426 -6.310 1.153 1.00 0.27 C ATOM 0 H TRP A 23 -13.732 -1.633 1.402 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.523 -3.912 -0.037 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.873 -3.607 2.635 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.772 -5.170 1.848 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.914 -3.227 4.291 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.439 -3.964 4.485 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.599 -5.954 -0.023 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.631 -5.492 2.959 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.452 -7.015 -0.597 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.497 -6.788 0.879 1.00 0.27 H new ATOM 328 N LYS A 24 -14.540 -4.234 -1.405 1.00 0.25 N ATOM 329 CA LYS A 24 -15.692 -4.411 -2.273 1.00 0.28 C ATOM 330 C LYS A 24 -15.449 -5.553 -3.250 1.00 0.33 C ATOM 331 O LYS A 24 -14.347 -6.104 -3.328 1.00 0.39 O ATOM 332 CB LYS A 24 -15.972 -3.137 -3.074 1.00 0.29 C ATOM 333 CG LYS A 24 -15.005 -2.937 -4.207 1.00 0.35 C ATOM 334 CD LYS A 24 -13.680 -2.425 -3.695 1.00 0.61 C ATOM 335 CE LYS A 24 -12.648 -2.338 -4.790 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.469 -3.631 -5.502 1.00 1.36 N ATOM 0 H LYS A 24 -13.649 -4.473 -1.840 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.550 -4.638 -1.640 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.986 -3.179 -3.471 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.926 -2.276 -2.407 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.857 -3.879 -4.735 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.420 -2.230 -4.925 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.820 -1.440 -3.249 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.317 -3.084 -2.906 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.944 -1.570 -5.505 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.695 -2.026 -4.364 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.670 -3.555 -6.163 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.277 -4.384 -4.811 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.335 -3.859 -6.031 1.00 1.36 H new ATOM 350 N LYS A 25 -16.479 -5.871 -4.012 1.00 0.36 N ATOM 351 CA LYS A 25 -16.421 -6.940 -4.998 1.00 0.42 C ATOM 352 C LYS A 25 -16.585 -6.343 -6.388 1.00 0.45 C ATOM 353 O LYS A 25 -16.704 -7.056 -7.384 1.00 0.56 O ATOM 354 CB LYS A 25 -17.513 -7.988 -4.753 1.00 0.49 C ATOM 355 CG LYS A 25 -17.306 -8.859 -3.524 1.00 0.67 C ATOM 356 CD LYS A 25 -17.608 -8.115 -2.241 1.00 0.70 C ATOM 357 CE LYS A 25 -17.941 -9.078 -1.119 1.00 0.94 C ATOM 358 NZ LYS A 25 -18.356 -8.370 0.118 1.00 1.94 N ATOM 0 H LYS A 25 -17.381 -5.397 -3.967 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.455 -7.438 -4.912 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.471 -7.477 -4.660 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.579 -8.633 -5.629 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -17.946 -9.739 -3.592 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.276 -9.215 -3.502 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.749 -7.506 -1.959 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.444 -7.434 -2.400 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -18.741 -9.746 -1.440 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.072 -9.701 -0.906 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -18.886 -9.022 0.730 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -17.513 -8.030 0.623 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -18.960 -7.561 -0.131 1.00 1.94 H new ATOM 372 N GLU A 26 -16.584 -5.022 -6.428 1.00 0.40 N ATOM 373 CA GLU A 26 -16.784 -4.273 -7.657 1.00 0.45 C ATOM 374 C GLU A 26 -15.563 -3.406 -7.931 1.00 0.41 C ATOM 375 O GLU A 26 -14.646 -3.343 -7.112 1.00 0.42 O ATOM 376 CB GLU A 26 -18.034 -3.401 -7.523 1.00 0.49 C ATOM 377 CG GLU A 26 -17.962 -2.416 -6.366 1.00 1.23 C ATOM 378 CD GLU A 26 -19.294 -1.766 -6.069 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.573 -0.686 -6.626 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.069 -2.334 -5.273 1.00 1.19 O ATOM 0 H GLU A 26 -16.444 -4.436 -5.605 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.920 -4.963 -8.490 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.185 -2.850 -8.451 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.904 -4.044 -7.390 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.609 -2.934 -5.475 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -17.229 -1.643 -6.597 1.00 1.23 H new ATOM 387 N LYS A 27 -15.541 -2.748 -9.074 1.00 0.48 N ATOM 388 CA LYS A 27 -14.417 -1.897 -9.417 1.00 0.49 C ATOM 389 C LYS A 27 -14.597 -0.505 -8.825 1.00 0.47 C ATOM 390 O LYS A 27 -15.680 0.078 -8.881 1.00 0.68 O ATOM 391 CB LYS A 27 -14.224 -1.814 -10.935 1.00 0.64 C ATOM 392 CG LYS A 27 -15.374 -1.149 -11.680 1.00 1.53 C ATOM 393 CD LYS A 27 -15.087 -1.046 -13.170 1.00 1.71 C ATOM 394 CE LYS A 27 -13.891 -0.147 -13.453 1.00 1.60 C ATOM 395 NZ LYS A 27 -13.506 -0.169 -14.886 1.00 2.35 N ATOM 0 H LYS A 27 -16.281 -2.785 -9.775 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.519 -2.343 -8.989 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -13.306 -1.264 -11.143 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.087 -2.822 -11.327 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -16.289 -1.720 -11.523 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -15.546 -0.153 -11.272 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -14.898 -2.041 -13.574 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -15.965 -0.655 -13.684 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -14.127 0.875 -13.157 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -13.045 -0.467 -12.845 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -12.688 0.456 -15.035 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -13.255 -1.140 -15.163 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -14.304 0.161 -15.465 1.00 2.35 H new ATOM 409 N VAL A 28 -13.527 0.001 -8.234 1.00 0.43 N ATOM 410 CA VAL A 28 -13.515 1.334 -7.651 1.00 0.42 C ATOM 411 C VAL A 28 -12.491 2.192 -8.381 1.00 0.40 C ATOM 412 O VAL A 28 -11.317 1.835 -8.458 1.00 0.51 O ATOM 413 CB VAL A 28 -13.174 1.284 -6.143 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.933 2.677 -5.587 1.00 1.16 C ATOM 415 CG2 VAL A 28 -14.275 0.586 -5.355 1.00 1.07 C ATOM 0 H VAL A 28 -12.643 -0.500 -8.145 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.510 1.767 -7.757 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.255 0.708 -6.036 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.696 2.609 -4.525 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.100 3.141 -6.116 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.830 3.282 -5.720 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -14.009 0.565 -4.298 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -15.213 1.127 -5.482 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -14.392 -0.434 -5.720 1.00 1.07 H new ATOM 425 N GLU A 29 -12.939 3.303 -8.935 1.00 0.37 N ATOM 426 CA GLU A 29 -12.065 4.180 -9.696 1.00 0.37 C ATOM 427 C GLU A 29 -11.578 5.335 -8.834 1.00 0.32 C ATOM 428 O GLU A 29 -11.942 5.439 -7.660 1.00 0.33 O ATOM 429 CB GLU A 29 -12.798 4.712 -10.921 1.00 0.45 C ATOM 430 CG GLU A 29 -13.282 3.618 -11.854 1.00 0.74 C ATOM 431 CD GLU A 29 -14.071 4.160 -13.022 1.00 1.33 C ATOM 432 OE1 GLU A 29 -13.512 4.245 -14.133 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.256 4.502 -12.837 1.00 1.98 O ATOM 0 H GLU A 29 -13.906 3.621 -8.873 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.198 3.606 -10.022 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.652 5.306 -10.595 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.135 5.381 -11.470 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.425 3.058 -12.228 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.902 2.917 -11.295 1.00 0.74 H new ATOM 440 N ASN A 30 -10.746 6.191 -9.429 1.00 0.33 N ATOM 441 CA ASN A 30 -10.182 7.353 -8.739 1.00 0.34 C ATOM 442 C ASN A 30 -9.296 6.912 -7.585 1.00 0.27 C ATOM 443 O ASN A 30 -9.095 7.646 -6.619 1.00 0.31 O ATOM 444 CB ASN A 30 -11.291 8.283 -8.235 1.00 0.40 C ATOM 445 CG ASN A 30 -12.056 8.934 -9.368 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.487 9.253 -10.415 1.00 1.67 O ATOM 447 ND2 ASN A 30 -13.351 9.116 -9.183 1.00 2.06 N ATOM 0 H ASN A 30 -10.445 6.099 -10.399 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.572 7.906 -9.454 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.982 7.716 -7.612 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.854 9.056 -7.603 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -13.918 9.534 -9.921 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -13.784 8.839 -8.302 1.00 2.06 H new ATOM 454 N ALA A 31 -8.774 5.701 -7.698 1.00 0.21 N ATOM 455 CA ALA A 31 -7.923 5.137 -6.674 1.00 0.18 C ATOM 456 C ALA A 31 -6.453 5.280 -7.038 1.00 0.17 C ATOM 457 O ALA A 31 -6.092 5.400 -8.211 1.00 0.20 O ATOM 458 CB ALA A 31 -8.271 3.681 -6.457 1.00 0.17 C ATOM 0 H ALA A 31 -8.930 5.088 -8.498 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.093 5.688 -5.749 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.625 3.264 -5.684 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.312 3.598 -6.144 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.127 3.130 -7.386 1.00 0.17 H new ATOM 464 N LEU A 32 -5.624 5.276 -6.009 1.00 0.17 N ATOM 465 CA LEU A 32 -4.191 5.483 -6.141 1.00 0.18 C ATOM 466 C LEU A 32 -3.470 4.140 -6.137 1.00 0.17 C ATOM 467 O LEU A 32 -2.407 3.995 -6.726 1.00 0.19 O ATOM 468 CB LEU A 32 -3.663 6.333 -4.973 1.00 0.22 C ATOM 469 CG LEU A 32 -4.094 7.811 -4.898 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.523 8.029 -5.360 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.929 8.324 -3.478 1.00 0.28 C ATOM 0 H LEU A 32 -5.929 5.127 -5.047 1.00 0.17 H new ATOM 0 HA LEU A 32 -4.004 6.002 -7.081 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.967 5.849 -4.045 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.574 6.304 -5.005 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.448 8.368 -5.577 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.772 9.088 -5.286 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.624 7.704 -6.396 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -6.201 7.452 -4.731 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -4.235 9.369 -3.431 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.549 7.734 -2.803 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.884 8.238 -3.179 1.00 0.28 H new ATOM 483 N MET A 33 -4.046 3.164 -5.436 1.00 0.15 N ATOM 484 CA MET A 33 -3.459 1.828 -5.332 1.00 0.14 C ATOM 485 C MET A 33 -4.543 0.755 -5.252 1.00 0.12 C ATOM 486 O MET A 33 -5.721 1.073 -5.093 1.00 0.12 O ATOM 487 CB MET A 33 -2.557 1.731 -4.111 1.00 0.14 C ATOM 488 CG MET A 33 -1.304 2.578 -4.189 1.00 0.17 C ATOM 489 SD MET A 33 -0.314 2.450 -2.700 1.00 0.17 S ATOM 490 CE MET A 33 -0.031 0.686 -2.663 1.00 0.20 C ATOM 0 H MET A 33 -4.924 3.275 -4.929 1.00 0.15 H new ATOM 0 HA MET A 33 -2.865 1.660 -6.231 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.126 2.027 -3.230 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.268 0.689 -3.970 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.709 2.267 -5.048 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.580 3.620 -4.353 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.646 0.443 -1.844 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.979 0.168 -2.515 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.412 0.369 -3.607 1.00 0.20 H new ATOM 500 N PHE A 34 -4.142 -0.514 -5.356 1.00 0.12 N ATOM 501 CA PHE A 34 -5.092 -1.622 -5.400 1.00 0.12 C ATOM 502 C PHE A 34 -4.503 -2.877 -4.743 1.00 0.11 C ATOM 503 O PHE A 34 -3.288 -3.058 -4.711 1.00 0.12 O ATOM 504 CB PHE A 34 -5.485 -1.898 -6.860 1.00 0.13 C ATOM 505 CG PHE A 34 -6.356 -3.110 -7.060 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.799 -4.319 -7.432 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.726 -3.039 -6.881 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.590 -5.434 -7.622 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.526 -4.151 -7.070 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.956 -5.351 -7.441 1.00 0.23 C ATOM 0 H PHE A 34 -3.164 -0.798 -5.411 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.984 -1.348 -4.837 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -6.006 -1.025 -7.253 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.576 -2.019 -7.450 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.731 -4.392 -7.576 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.177 -2.102 -6.590 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.140 -6.372 -7.912 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.594 -4.080 -6.928 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.576 -6.223 -7.589 1.00 0.23 H new ATOM 520 N ILE A 35 -5.379 -3.724 -4.214 1.00 0.11 N ATOM 521 CA ILE A 35 -4.989 -4.997 -3.607 1.00 0.12 C ATOM 522 C ILE A 35 -5.748 -6.134 -4.267 1.00 0.12 C ATOM 523 O ILE A 35 -6.972 -6.072 -4.403 1.00 0.16 O ATOM 524 CB ILE A 35 -5.293 -5.050 -2.090 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.478 -4.009 -1.321 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.025 -6.446 -1.542 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.796 -3.958 0.162 1.00 0.14 C ATOM 0 H ILE A 35 -6.384 -3.549 -4.193 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.913 -5.094 -3.753 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.349 -4.815 -1.953 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.417 -4.225 -1.449 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.658 -3.026 -1.756 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.244 -6.466 -0.474 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.661 -7.167 -2.056 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.979 -6.705 -1.703 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.179 -3.197 0.640 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.849 -3.712 0.300 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.589 -4.929 0.612 1.00 0.14 H new ATOM 539 N LYS A 36 -5.032 -7.171 -4.661 1.00 0.13 N ATOM 540 CA LYS A 36 -5.654 -8.334 -5.266 1.00 0.15 C ATOM 541 C LYS A 36 -5.575 -9.526 -4.318 1.00 0.16 C ATOM 542 O LYS A 36 -4.497 -10.051 -4.085 1.00 0.22 O ATOM 543 CB LYS A 36 -4.925 -8.678 -6.566 1.00 0.25 C ATOM 544 CG LYS A 36 -5.486 -9.897 -7.277 1.00 0.64 C ATOM 545 CD LYS A 36 -6.812 -9.588 -7.945 1.00 0.70 C ATOM 546 CE LYS A 36 -6.613 -8.804 -9.229 1.00 1.57 C ATOM 547 NZ LYS A 36 -7.907 -8.428 -9.845 1.00 2.38 N ATOM 0 H LYS A 36 -4.018 -7.231 -4.573 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.701 -8.110 -5.472 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.976 -7.821 -7.238 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -3.871 -8.849 -6.347 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -4.773 -10.244 -8.025 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.618 -10.709 -6.561 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.338 -10.518 -8.162 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.442 -9.018 -7.262 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -6.034 -7.905 -9.021 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -6.034 -9.400 -9.934 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -7.733 -7.894 -10.720 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -8.449 -9.288 -10.066 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -8.449 -7.838 -9.182 1.00 2.38 H new ATOM 561 N PRO A 37 -6.699 -9.986 -3.764 1.00 0.17 N ATOM 562 CA PRO A 37 -6.712 -11.177 -2.919 1.00 0.21 C ATOM 563 C PRO A 37 -6.596 -12.458 -3.736 1.00 0.27 C ATOM 564 O PRO A 37 -7.236 -12.607 -4.781 1.00 0.35 O ATOM 565 CB PRO A 37 -8.071 -11.114 -2.209 1.00 0.24 C ATOM 566 CG PRO A 37 -8.625 -9.766 -2.529 1.00 0.23 C ATOM 567 CD PRO A 37 -8.026 -9.376 -3.847 1.00 0.18 C ATOM 0 HA PRO A 37 -5.867 -11.194 -2.231 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.734 -11.904 -2.560 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.958 -11.247 -1.133 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.713 -9.795 -2.588 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.367 -9.044 -1.754 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.602 -9.762 -4.688 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.972 -8.294 -3.968 1.00 0.18 H new ATOM 575 N THR A 38 -5.756 -13.368 -3.267 1.00 0.31 N ATOM 576 CA THR A 38 -5.592 -14.662 -3.904 1.00 0.38 C ATOM 577 C THR A 38 -6.596 -15.645 -3.326 1.00 0.44 C ATOM 578 O THR A 38 -7.224 -16.424 -4.044 1.00 0.54 O ATOM 579 CB THR A 38 -4.162 -15.199 -3.702 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.882 -15.347 -2.300 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.151 -14.253 -4.320 1.00 0.78 C ATOM 0 H THR A 38 -5.174 -13.231 -2.441 1.00 0.31 H new ATOM 0 HA THR A 38 -5.766 -14.545 -4.974 1.00 0.38 H new ATOM 0 HB THR A 38 -4.088 -16.171 -4.190 1.00 0.48 H new ATOM 0 HG1 THR A 38 -3.598 -14.485 -1.930 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.146 -14.646 -4.169 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.347 -14.158 -5.388 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.233 -13.274 -3.848 1.00 0.78 H new ATOM 589 N LYS A 39 -6.738 -15.586 -2.013 1.00 0.48 N ATOM 590 CA LYS A 39 -7.724 -16.373 -1.306 1.00 0.63 C ATOM 591 C LYS A 39 -8.979 -15.550 -1.092 1.00 0.58 C ATOM 592 O LYS A 39 -9.019 -14.364 -1.437 1.00 0.54 O ATOM 593 CB LYS A 39 -7.176 -16.848 0.040 1.00 0.78 C ATOM 594 CG LYS A 39 -6.050 -17.863 -0.075 1.00 0.93 C ATOM 595 CD LYS A 39 -6.517 -19.127 -0.774 1.00 1.09 C ATOM 596 CE LYS A 39 -5.427 -20.182 -0.813 1.00 1.65 C ATOM 597 NZ LYS A 39 -5.861 -21.401 -1.548 1.00 2.16 N ATOM 0 H LYS A 39 -6.171 -14.990 -1.410 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.964 -17.250 -1.908 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.817 -15.984 0.600 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.990 -17.287 0.618 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -5.218 -17.426 -0.627 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -5.678 -18.111 0.919 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -7.391 -19.526 -0.259 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -6.828 -18.887 -1.791 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -4.538 -19.768 -1.289 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -5.147 -20.452 0.205 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -5.089 -22.097 -1.552 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -6.694 -21.811 -1.079 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -6.104 -21.148 -2.527 1.00 2.16 H new ATOM 611 N GLU A 40 -10.006 -16.187 -0.561 1.00 0.66 N ATOM 612 CA GLU A 40 -11.230 -15.500 -0.196 1.00 0.64 C ATOM 613 C GLU A 40 -10.919 -14.343 0.741 1.00 0.57 C ATOM 614 O GLU A 40 -10.099 -14.465 1.658 1.00 0.62 O ATOM 615 CB GLU A 40 -12.201 -16.486 0.458 1.00 0.76 C ATOM 616 CG GLU A 40 -13.522 -15.870 0.888 1.00 1.44 C ATOM 617 CD GLU A 40 -14.525 -16.914 1.329 1.00 1.86 C ATOM 618 OE1 GLU A 40 -15.375 -17.310 0.505 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.458 -17.362 2.493 1.00 2.42 O ATOM 0 H GLU A 40 -10.015 -17.189 -0.372 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.699 -15.095 -1.093 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -12.402 -17.298 -0.241 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -11.719 -16.929 1.330 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -13.345 -15.171 1.705 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -13.939 -15.295 0.061 1.00 1.44 H new ATOM 626 N VAL A 41 -11.564 -13.223 0.492 1.00 0.53 N ATOM 627 CA VAL A 41 -11.331 -12.019 1.262 1.00 0.49 C ATOM 628 C VAL A 41 -12.121 -12.083 2.556 1.00 0.51 C ATOM 629 O VAL A 41 -13.304 -12.429 2.547 1.00 0.54 O ATOM 630 CB VAL A 41 -11.728 -10.754 0.475 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.554 -9.796 0.380 1.00 0.73 C ATOM 632 CG2 VAL A 41 -12.242 -11.113 -0.912 1.00 0.69 C ATOM 0 H VAL A 41 -12.261 -13.121 -0.246 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.264 -11.959 1.477 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.535 -10.259 1.015 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.853 -8.909 -0.179 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -10.240 -9.505 1.382 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.725 -10.285 -0.132 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.515 -10.203 -1.446 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.462 -11.638 -1.464 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -13.117 -11.756 -0.820 1.00 0.69 H new ATOM 642 N PRO A 42 -11.452 -11.776 3.681 1.00 0.55 N ATOM 643 CA PRO A 42 -12.031 -11.880 5.020 1.00 0.62 C ATOM 644 C PRO A 42 -13.441 -11.306 5.098 1.00 0.63 C ATOM 645 O PRO A 42 -13.656 -10.111 4.889 1.00 0.64 O ATOM 646 CB PRO A 42 -11.069 -11.057 5.864 1.00 0.68 C ATOM 647 CG PRO A 42 -9.757 -11.202 5.186 1.00 0.65 C ATOM 648 CD PRO A 42 -10.058 -11.309 3.722 1.00 0.58 C ATOM 0 HA PRO A 42 -12.139 -12.915 5.344 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.377 -10.013 5.911 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.028 -11.424 6.890 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.115 -10.345 5.391 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.230 -12.087 5.542 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.943 -10.349 3.219 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.387 -12.010 3.226 1.00 0.58 H new ATOM 656 N GLU A 43 -14.377 -12.169 5.452 1.00 0.69 N ATOM 657 CA GLU A 43 -15.788 -11.864 5.402 1.00 0.75 C ATOM 658 C GLU A 43 -16.183 -10.807 6.419 1.00 0.81 C ATOM 659 O GLU A 43 -17.007 -9.933 6.137 1.00 0.83 O ATOM 660 CB GLU A 43 -16.559 -13.141 5.658 1.00 0.85 C ATOM 661 CG GLU A 43 -18.039 -13.023 5.396 1.00 1.21 C ATOM 662 CD GLU A 43 -18.758 -14.336 5.589 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.170 -14.631 6.733 1.00 2.28 O ATOM 664 OE2 GLU A 43 -18.930 -15.075 4.601 1.00 1.87 O ATOM 0 H GLU A 43 -14.172 -13.111 5.785 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.022 -11.459 4.417 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.151 -13.933 5.030 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -16.406 -13.445 6.694 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.466 -12.275 6.064 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.199 -12.669 4.378 1.00 1.21 H new ATOM 671 N PHE A 44 -15.592 -10.880 7.598 1.00 0.86 N ATOM 672 CA PHE A 44 -15.987 -10.002 8.681 1.00 0.97 C ATOM 673 C PHE A 44 -15.407 -8.612 8.495 1.00 0.96 C ATOM 674 O PHE A 44 -15.960 -7.631 8.984 1.00 1.02 O ATOM 675 CB PHE A 44 -15.573 -10.584 10.024 1.00 1.11 C ATOM 676 CG PHE A 44 -16.136 -11.957 10.257 1.00 1.69 C ATOM 677 CD1 PHE A 44 -15.293 -13.029 10.498 1.00 2.33 C ATOM 678 CD2 PHE A 44 -17.502 -12.175 10.243 1.00 1.86 C ATOM 679 CE1 PHE A 44 -15.802 -14.292 10.719 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.017 -13.437 10.463 1.00 2.66 C ATOM 681 CZ PHE A 44 -17.189 -14.491 10.674 1.00 3.34 C ATOM 0 H PHE A 44 -14.843 -11.533 7.828 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.074 -9.917 8.666 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -14.485 -10.628 10.077 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -15.905 -9.919 10.822 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -14.224 -12.874 10.513 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.173 -11.349 10.058 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -15.139 -15.119 10.925 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.087 -13.586 10.467 1.00 2.66 H new ATOM 0 HZ PHE A 44 -17.598 -15.482 10.807 1.00 3.34 H new ATOM 691 N LYS A 45 -14.307 -8.525 7.761 1.00 0.90 N ATOM 692 CA LYS A 45 -13.704 -7.237 7.458 1.00 0.93 C ATOM 693 C LYS A 45 -14.635 -6.404 6.587 1.00 0.89 C ATOM 694 O LYS A 45 -14.631 -5.176 6.652 1.00 0.98 O ATOM 695 CB LYS A 45 -12.347 -7.412 6.779 1.00 0.94 C ATOM 696 CG LYS A 45 -11.211 -7.661 7.761 1.00 1.07 C ATOM 697 CD LYS A 45 -11.399 -8.950 8.544 1.00 1.09 C ATOM 698 CE LYS A 45 -10.265 -9.175 9.529 1.00 1.27 C ATOM 699 NZ LYS A 45 -10.381 -10.486 10.219 1.00 1.94 N ATOM 0 H LYS A 45 -13.816 -9.327 7.366 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.544 -6.709 8.398 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.403 -8.246 6.080 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.123 -6.520 6.194 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.267 -7.702 7.218 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.143 -6.823 8.455 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.347 -8.915 9.081 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.454 -9.791 7.853 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -9.312 -9.125 9.003 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.263 -8.375 10.269 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -9.588 -10.601 10.882 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -11.279 -10.525 10.743 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -10.357 -11.252 9.516 1.00 1.94 H new ATOM 713 N PHE A 46 -15.447 -7.079 5.786 1.00 0.79 N ATOM 714 CA PHE A 46 -16.441 -6.399 4.969 1.00 0.78 C ATOM 715 C PHE A 46 -17.546 -5.816 5.842 1.00 0.83 C ATOM 716 O PHE A 46 -17.796 -4.614 5.819 1.00 0.93 O ATOM 717 CB PHE A 46 -17.053 -7.356 3.943 1.00 0.74 C ATOM 718 CG PHE A 46 -16.118 -7.748 2.836 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.658 -9.048 2.728 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.708 -6.818 1.897 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.805 -9.412 1.704 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.855 -7.175 0.872 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.404 -8.474 0.774 1.00 0.54 C ATOM 0 H PHE A 46 -15.437 -8.094 5.685 1.00 0.79 H new ATOM 0 HA PHE A 46 -15.937 -5.590 4.440 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.388 -8.257 4.457 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.937 -6.889 3.509 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.969 -9.787 3.452 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.060 -5.799 1.967 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.452 -10.430 1.631 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.541 -6.438 0.148 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.739 -8.757 -0.028 1.00 0.54 H new ATOM 733 N VAL A 47 -18.176 -6.670 6.639 1.00 0.81 N ATOM 734 CA VAL A 47 -19.340 -6.273 7.422 1.00 0.88 C ATOM 735 C VAL A 47 -18.966 -5.318 8.556 1.00 0.87 C ATOM 736 O VAL A 47 -19.696 -4.368 8.841 1.00 0.92 O ATOM 737 CB VAL A 47 -20.081 -7.507 7.990 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.171 -8.338 8.882 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.334 -7.081 8.736 1.00 1.07 C ATOM 0 H VAL A 47 -17.900 -7.644 6.760 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.010 -5.745 6.743 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.379 -8.135 7.151 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -19.722 -9.197 9.265 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.314 -8.685 8.305 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -18.824 -7.729 9.716 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -21.841 -7.962 9.128 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.060 -6.423 9.561 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.000 -6.552 8.055 1.00 1.07 H new ATOM 749 N ASN A 48 -17.818 -5.543 9.183 1.00 0.86 N ATOM 750 CA ASN A 48 -17.422 -4.739 10.331 1.00 0.90 C ATOM 751 C ASN A 48 -17.024 -3.331 9.910 1.00 0.82 C ATOM 752 O ASN A 48 -17.343 -2.357 10.591 1.00 0.91 O ATOM 753 CB ASN A 48 -16.276 -5.408 11.100 1.00 0.96 C ATOM 754 CG ASN A 48 -15.792 -4.568 12.269 1.00 1.07 C ATOM 755 OD1 ASN A 48 -16.384 -4.586 13.347 1.00 1.50 O ATOM 756 ND2 ASN A 48 -14.695 -3.851 12.076 1.00 1.66 N ATOM 0 H ASN A 48 -17.151 -6.268 8.919 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.286 -4.665 10.992 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -16.607 -6.379 11.467 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.444 -5.591 10.420 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -14.313 -3.288 12.836 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -14.232 -3.862 11.167 1.00 1.66 H new ATOM 763 N ARG A 49 -16.340 -3.223 8.781 1.00 0.69 N ATOM 764 CA ARG A 49 -15.891 -1.927 8.290 1.00 0.63 C ATOM 765 C ARG A 49 -16.953 -1.274 7.412 1.00 0.58 C ATOM 766 O ARG A 49 -16.844 -0.098 7.070 1.00 0.57 O ATOM 767 CB ARG A 49 -14.600 -2.074 7.495 1.00 0.59 C ATOM 768 CG ARG A 49 -13.478 -2.752 8.256 1.00 0.92 C ATOM 769 CD ARG A 49 -12.223 -2.865 7.407 1.00 1.01 C ATOM 770 NE ARG A 49 -11.206 -3.699 8.043 1.00 1.28 N ATOM 771 CZ ARG A 49 -9.931 -3.743 7.662 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.497 -2.970 6.674 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.081 -4.552 8.279 1.00 2.00 N ATOM 0 H ARG A 49 -16.084 -4.013 8.189 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.712 -1.291 9.157 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.807 -2.644 6.589 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.265 -1.086 7.180 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.257 -2.187 9.162 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.798 -3.746 8.570 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.480 -3.285 6.434 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -11.816 -1.870 7.227 1.00 1.01 H new ATOM 0 HE ARG A 49 -11.491 -4.284 8.828 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.142 -2.337 6.201 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.519 -3.009 6.388 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -9.404 -5.141 9.046 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.104 -4.585 7.986 1.00 2.00 H new ATOM 787 N ASN A 50 -17.970 -2.057 7.047 1.00 0.60 N ATOM 788 CA ASN A 50 -19.021 -1.615 6.122 1.00 0.63 C ATOM 789 C ASN A 50 -18.441 -1.418 4.729 1.00 0.54 C ATOM 790 O ASN A 50 -19.037 -0.774 3.869 1.00 0.61 O ATOM 791 CB ASN A 50 -19.685 -0.321 6.605 1.00 0.71 C ATOM 792 CG ASN A 50 -20.378 -0.482 7.945 1.00 1.46 C ATOM 793 OD1 ASN A 50 -20.891 -1.554 8.271 1.00 2.26 O ATOM 794 ND2 ASN A 50 -20.391 0.581 8.735 1.00 2.05 N ATOM 0 H ASN A 50 -18.090 -3.013 7.382 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.786 -2.391 6.088 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -18.931 0.462 6.683 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -20.412 0.009 5.862 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -20.837 0.530 9.651 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -19.955 1.450 8.428 1.00 2.05 H new ATOM 801 N GLY A 51 -17.257 -1.978 4.534 1.00 0.46 N ATOM 802 CA GLY A 51 -16.556 -1.879 3.270 1.00 0.41 C ATOM 803 C GLY A 51 -15.736 -0.608 3.155 1.00 0.33 C ATOM 804 O GLY A 51 -14.866 -0.501 2.289 1.00 0.34 O ATOM 0 H GLY A 51 -16.759 -2.511 5.247 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.900 -2.742 3.154 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.278 -1.916 2.454 1.00 0.41 H new ATOM 808 N LYS A 52 -15.999 0.349 4.033 1.00 0.29 N ATOM 809 CA LYS A 52 -15.264 1.606 4.036 1.00 0.29 C ATOM 810 C LYS A 52 -14.309 1.678 5.222 1.00 0.30 C ATOM 811 O LYS A 52 -14.709 1.444 6.361 1.00 0.36 O ATOM 812 CB LYS A 52 -16.225 2.795 4.063 1.00 0.34 C ATOM 813 CG LYS A 52 -17.185 2.834 2.886 1.00 1.14 C ATOM 814 CD LYS A 52 -17.865 4.189 2.773 1.00 1.28 C ATOM 815 CE LYS A 52 -16.890 5.264 2.310 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.527 6.605 2.249 1.00 2.43 N ATOM 0 H LYS A 52 -16.717 0.279 4.754 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.678 1.650 3.118 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -16.800 2.764 4.988 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.646 3.718 4.078 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.643 2.618 1.965 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.939 2.055 3.002 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.696 4.123 2.071 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.285 4.469 3.739 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.038 5.298 2.990 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.502 5.002 1.326 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -16.829 7.307 1.930 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -18.324 6.581 1.581 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -17.875 6.868 3.193 1.00 2.43 H new ATOM 830 N ASN A 53 -13.051 2.004 4.963 1.00 0.30 N ATOM 831 CA ASN A 53 -12.072 2.129 6.035 1.00 0.34 C ATOM 832 C ASN A 53 -11.058 3.225 5.723 1.00 0.27 C ATOM 833 O ASN A 53 -10.351 3.164 4.716 1.00 0.24 O ATOM 834 CB ASN A 53 -11.353 0.793 6.256 1.00 0.43 C ATOM 835 CG ASN A 53 -10.366 0.829 7.413 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.331 0.161 7.382 1.00 1.72 O ATOM 837 ND2 ASN A 53 -10.688 1.585 8.452 1.00 2.05 N ATOM 0 H ASN A 53 -12.685 2.186 4.028 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.601 2.403 6.948 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.094 0.015 6.443 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.824 0.517 5.344 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.070 1.628 9.263 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -11.554 2.124 8.441 1.00 2.05 H new ATOM 844 N GLU A 54 -10.996 4.228 6.588 1.00 0.30 N ATOM 845 CA GLU A 54 -10.022 5.297 6.450 1.00 0.28 C ATOM 846 C GLU A 54 -8.718 4.902 7.129 1.00 0.28 C ATOM 847 O GLU A 54 -8.681 4.608 8.324 1.00 0.40 O ATOM 848 CB GLU A 54 -10.564 6.603 7.033 1.00 0.33 C ATOM 849 CG GLU A 54 -11.702 7.195 6.218 1.00 0.35 C ATOM 850 CD GLU A 54 -12.318 8.417 6.868 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.155 8.246 7.778 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.984 9.552 6.464 1.00 1.47 O ATOM 0 H GLU A 54 -11.612 4.322 7.395 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.829 5.460 5.390 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -10.910 6.423 8.051 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.754 7.330 7.095 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.332 7.463 5.228 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.473 6.438 6.076 1.00 0.35 H new ATOM 859 N LEU A 55 -7.659 4.898 6.342 1.00 0.21 N ATOM 860 CA LEU A 55 -6.361 4.414 6.777 1.00 0.22 C ATOM 861 C LEU A 55 -5.603 5.461 7.581 1.00 0.24 C ATOM 862 O LEU A 55 -5.156 5.196 8.696 1.00 0.32 O ATOM 863 CB LEU A 55 -5.543 4.011 5.552 1.00 0.21 C ATOM 864 CG LEU A 55 -5.858 2.633 4.977 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.207 2.478 3.618 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.386 1.535 5.918 1.00 0.54 C ATOM 0 H LEU A 55 -7.674 5.232 5.378 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.520 3.554 7.428 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.699 4.756 4.771 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.486 4.043 5.816 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.938 2.543 4.865 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.437 1.492 3.215 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.588 3.244 2.943 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.127 2.587 3.717 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.621 0.561 5.488 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.309 1.618 6.062 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.890 1.638 6.879 1.00 0.54 H new ATOM 878 N ILE A 56 -5.458 6.648 7.015 1.00 0.21 N ATOM 879 CA ILE A 56 -4.666 7.695 7.637 1.00 0.22 C ATOM 880 C ILE A 56 -5.149 9.063 7.166 1.00 0.22 C ATOM 881 O ILE A 56 -5.623 9.191 6.039 1.00 0.22 O ATOM 882 CB ILE A 56 -3.167 7.511 7.299 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.303 8.482 8.100 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.937 7.711 5.809 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.819 8.222 7.966 1.00 0.25 C ATOM 0 H ILE A 56 -5.880 6.910 6.124 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.787 7.630 8.718 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.879 6.495 7.570 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.516 9.500 7.773 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.581 8.420 9.152 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.879 7.579 5.583 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.521 6.981 5.249 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.246 8.717 5.525 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.267 8.949 8.561 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.592 7.216 8.320 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.527 8.313 6.920 1.00 0.25 H new ATOM 897 N ARG A 57 -5.043 10.077 8.016 1.00 0.26 N ATOM 898 CA ARG A 57 -5.541 11.403 7.669 1.00 0.27 C ATOM 899 C ARG A 57 -4.504 12.489 7.967 1.00 0.29 C ATOM 900 O ARG A 57 -3.459 12.212 8.556 1.00 0.34 O ATOM 901 CB ARG A 57 -6.857 11.684 8.411 1.00 0.37 C ATOM 902 CG ARG A 57 -6.708 11.868 9.914 1.00 0.49 C ATOM 903 CD ARG A 57 -6.812 13.335 10.302 1.00 0.88 C ATOM 904 NE ARG A 57 -6.514 13.556 11.713 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.147 14.731 12.225 1.00 1.83 C ATOM 906 NH1 ARG A 57 -6.082 15.812 11.453 1.00 1.96 N ATOM 907 NH2 ARG A 57 -5.862 14.827 13.517 1.00 2.23 N ATOM 0 H ARG A 57 -4.621 10.009 8.942 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.731 11.423 6.596 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.311 12.582 7.991 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.547 10.861 8.225 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.479 11.297 10.431 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.746 11.471 10.238 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.124 13.920 9.692 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.817 13.696 10.084 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.591 12.761 12.348 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -6.314 15.746 10.462 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -5.800 16.707 11.852 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -5.924 14.003 14.115 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -5.581 15.724 13.912 1.00 2.23 H new ATOM 921 N ASN A 58 -4.813 13.714 7.530 1.00 0.30 N ATOM 922 CA ASN A 58 -3.965 14.892 7.736 1.00 0.33 C ATOM 923 C ASN A 58 -2.699 14.806 6.878 1.00 0.31 C ATOM 924 O ASN A 58 -1.597 15.131 7.320 1.00 0.33 O ATOM 925 CB ASN A 58 -3.616 15.053 9.221 1.00 0.39 C ATOM 926 CG ASN A 58 -2.914 16.363 9.533 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.160 17.386 8.888 1.00 1.01 O ATOM 928 ND2 ASN A 58 -2.036 16.343 10.524 1.00 1.40 N ATOM 0 H ASN A 58 -5.670 13.918 7.017 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.522 15.775 7.423 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.530 14.989 9.811 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -2.979 14.224 9.529 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -1.535 17.194 10.778 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -1.861 15.477 11.033 1.00 1.40 H new ATOM 935 N LEU A 59 -2.871 14.376 5.633 1.00 0.28 N ATOM 936 CA LEU A 59 -1.752 14.223 4.713 1.00 0.27 C ATOM 937 C LEU A 59 -1.264 15.576 4.196 1.00 0.33 C ATOM 938 O LEU A 59 -0.147 15.697 3.699 1.00 0.33 O ATOM 939 CB LEU A 59 -2.161 13.347 3.531 1.00 0.24 C ATOM 940 CG LEU A 59 -2.809 12.012 3.904 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.113 11.204 2.657 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.917 11.220 4.841 1.00 0.20 C ATOM 0 H LEU A 59 -3.778 14.127 5.238 1.00 0.28 H new ATOM 0 HA LEU A 59 -0.937 13.749 5.260 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.856 13.908 2.907 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.278 13.147 2.924 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.745 12.222 4.421 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.574 10.257 2.940 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.797 11.764 2.019 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.188 11.009 2.115 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.400 10.275 5.091 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -0.962 11.022 4.354 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.747 11.793 5.752 1.00 0.20 H new ATOM 954 N GLN A 60 -2.118 16.585 4.304 1.00 0.40 N ATOM 955 CA GLN A 60 -1.800 17.923 3.810 1.00 0.49 C ATOM 956 C GLN A 60 -0.538 18.491 4.451 1.00 0.51 C ATOM 957 O GLN A 60 0.347 18.995 3.761 1.00 0.53 O ATOM 958 CB GLN A 60 -2.944 18.869 4.113 1.00 0.62 C ATOM 959 CG GLN A 60 -2.763 20.252 3.510 1.00 0.81 C ATOM 960 CD GLN A 60 -3.738 21.265 4.065 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.153 21.181 5.223 1.00 1.76 O ATOM 962 NE2 GLN A 60 -4.118 22.226 3.242 1.00 1.27 N ATOM 0 H GLN A 60 -3.041 16.504 4.731 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.637 17.832 2.736 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.872 18.436 3.738 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.050 18.964 5.194 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.745 20.594 3.696 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.886 20.191 2.429 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.750 22.258 2.291 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.779 22.936 3.557 1.00 1.27 H new ATOM 971 N SER A 61 -0.448 18.389 5.769 1.00 0.53 N ATOM 972 CA SER A 61 0.626 19.036 6.504 1.00 0.60 C ATOM 973 C SER A 61 1.884 18.179 6.525 1.00 0.48 C ATOM 974 O SER A 61 2.939 18.617 6.987 1.00 0.56 O ATOM 975 CB SER A 61 0.160 19.355 7.922 1.00 0.79 C ATOM 976 OG SER A 61 -0.526 18.253 8.489 1.00 1.59 O ATOM 0 H SER A 61 -1.104 17.866 6.349 1.00 0.53 H new ATOM 0 HA SER A 61 0.880 19.966 5.995 1.00 0.60 H new ATOM 0 HB2 SER A 61 1.019 19.612 8.542 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.494 20.227 7.907 1.00 0.79 H new ATOM 0 HG SER A 61 -1.492 18.387 8.398 1.00 1.59 H new ATOM 982 N ASP A 62 1.771 16.963 6.020 1.00 0.41 N ATOM 983 CA ASP A 62 2.921 16.076 5.920 1.00 0.41 C ATOM 984 C ASP A 62 2.679 15.013 4.866 1.00 0.36 C ATOM 985 O ASP A 62 1.877 14.099 5.059 1.00 0.33 O ATOM 986 CB ASP A 62 3.229 15.414 7.261 1.00 0.52 C ATOM 987 CG ASP A 62 4.551 14.675 7.242 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.553 13.440 7.096 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.604 15.340 7.371 1.00 1.41 O ATOM 0 H ASP A 62 0.898 16.566 5.673 1.00 0.41 H new ATOM 0 HA ASP A 62 3.781 16.680 5.630 1.00 0.41 H new ATOM 0 HB2 ASP A 62 3.250 16.173 8.043 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.429 14.718 7.513 1.00 0.52 H new ATOM 994 N LYS A 63 3.376 15.143 3.747 1.00 0.39 N ATOM 995 CA LYS A 63 3.210 14.227 2.628 1.00 0.40 C ATOM 996 C LYS A 63 3.629 12.817 3.001 1.00 0.33 C ATOM 997 O LYS A 63 3.081 11.840 2.496 1.00 0.30 O ATOM 998 CB LYS A 63 4.031 14.689 1.430 1.00 0.52 C ATOM 999 CG LYS A 63 5.530 14.732 1.679 1.00 1.06 C ATOM 1000 CD LYS A 63 6.321 14.621 0.383 1.00 1.18 C ATOM 1001 CE LYS A 63 5.798 15.555 -0.697 1.00 1.00 C ATOM 1002 NZ LYS A 63 5.869 16.982 -0.289 1.00 1.68 N ATOM 0 H LYS A 63 4.065 15.878 3.589 1.00 0.39 H new ATOM 0 HA LYS A 63 2.152 14.223 2.368 1.00 0.40 H new ATOM 0 HB2 LYS A 63 3.833 14.023 0.590 1.00 0.52 H new ATOM 0 HB3 LYS A 63 3.695 15.683 1.135 1.00 0.52 H new ATOM 0 HG2 LYS A 63 5.788 15.663 2.184 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.811 13.918 2.347 1.00 1.06 H new ATOM 0 HD2 LYS A 63 7.369 14.848 0.580 1.00 1.18 H new ATOM 0 HD3 LYS A 63 6.280 13.593 0.022 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.376 15.411 -1.610 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.765 15.296 -0.929 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 5.598 17.586 -1.091 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 5.218 17.149 0.505 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 6.840 17.211 0.005 1.00 1.68 H new ATOM 1016 N LYS A 64 4.604 12.728 3.889 1.00 0.34 N ATOM 1017 CA LYS A 64 5.165 11.445 4.295 1.00 0.33 C ATOM 1018 C LYS A 64 4.110 10.543 4.929 1.00 0.27 C ATOM 1019 O LYS A 64 4.263 9.324 4.958 1.00 0.27 O ATOM 1020 CB LYS A 64 6.319 11.651 5.270 1.00 0.40 C ATOM 1021 CG LYS A 64 7.525 12.340 4.655 1.00 0.42 C ATOM 1022 CD LYS A 64 8.165 11.490 3.570 1.00 0.38 C ATOM 1023 CE LYS A 64 9.389 12.171 2.980 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.411 12.471 4.015 1.00 1.07 N ATOM 0 H LYS A 64 5.028 13.534 4.347 1.00 0.34 H new ATOM 0 HA LYS A 64 5.535 10.954 3.395 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.967 12.242 6.116 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.627 10.682 5.664 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.221 13.299 4.235 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.259 12.551 5.432 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.449 10.523 3.984 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.438 11.298 2.781 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.826 11.531 2.214 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.088 13.096 2.489 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.316 12.695 3.554 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.101 13.285 4.583 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.532 11.643 4.633 1.00 1.07 H new ATOM 1038 N LEU A 65 3.047 11.143 5.441 1.00 0.25 N ATOM 1039 CA LEU A 65 1.942 10.381 5.989 1.00 0.21 C ATOM 1040 C LEU A 65 1.257 9.548 4.907 1.00 0.17 C ATOM 1041 O LEU A 65 0.804 8.435 5.174 1.00 0.18 O ATOM 1042 CB LEU A 65 0.940 11.313 6.661 1.00 0.24 C ATOM 1043 CG LEU A 65 1.491 12.118 7.837 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.375 12.888 8.520 1.00 0.34 C ATOM 1045 CD2 LEU A 65 2.203 11.211 8.826 1.00 0.31 C ATOM 0 H LEU A 65 2.928 12.155 5.487 1.00 0.25 H new ATOM 0 HA LEU A 65 2.340 9.695 6.737 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.556 12.007 5.914 1.00 0.24 H new ATOM 0 HB3 LEU A 65 0.094 10.721 7.011 1.00 0.24 H new ATOM 0 HG LEU A 65 2.218 12.833 7.453 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.784 13.456 9.356 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.085 13.572 7.806 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.376 12.190 8.889 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.587 11.806 9.655 1.00 0.31 H new ATOM 0 HD22 LEU A 65 1.503 10.468 9.207 1.00 0.31 H new ATOM 0 HD23 LEU A 65 3.031 10.707 8.327 1.00 0.31 H new ATOM 1057 N PHE A 66 1.194 10.075 3.682 1.00 0.15 N ATOM 1058 CA PHE A 66 0.653 9.312 2.564 1.00 0.13 C ATOM 1059 C PHE A 66 1.521 8.084 2.317 1.00 0.14 C ATOM 1060 O PHE A 66 1.016 7.014 1.987 1.00 0.15 O ATOM 1061 CB PHE A 66 0.569 10.178 1.294 1.00 0.14 C ATOM 1062 CG PHE A 66 0.134 9.429 0.057 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.898 8.511 0.112 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.761 9.642 -1.160 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.295 7.815 -1.015 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.367 8.953 -2.292 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.661 8.038 -2.219 1.00 0.21 C ATOM 0 H PHE A 66 1.508 11.016 3.444 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.358 8.992 2.815 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.128 10.997 1.472 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.545 10.626 1.109 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.402 8.334 1.050 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.569 10.356 -1.225 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.100 7.098 -0.952 1.00 0.15 H new ATOM 0 HE2 PHE A 66 0.865 9.132 -3.234 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.969 7.497 -3.102 1.00 0.21 H new ATOM 1077 N TYR A 67 2.825 8.239 2.528 1.00 0.16 N ATOM 1078 CA TYR A 67 3.766 7.145 2.319 1.00 0.18 C ATOM 1079 C TYR A 67 3.421 5.998 3.259 1.00 0.16 C ATOM 1080 O TYR A 67 3.213 4.862 2.834 1.00 0.18 O ATOM 1081 CB TYR A 67 5.218 7.575 2.586 1.00 0.22 C ATOM 1082 CG TYR A 67 5.761 8.680 1.701 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.969 9.746 1.308 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.089 8.671 1.298 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.476 10.771 0.540 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.605 9.689 0.521 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.794 10.738 0.146 1.00 0.35 C ATOM 1088 OH TYR A 67 7.301 11.765 -0.616 1.00 0.40 O ATOM 0 H TYR A 67 3.253 9.110 2.843 1.00 0.16 H new ATOM 0 HA TYR A 67 3.685 6.836 1.277 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.294 7.898 3.624 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.860 6.701 2.476 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.932 9.774 1.610 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.729 7.854 1.597 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.843 11.596 0.249 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.639 9.663 0.209 1.00 0.37 H new ATOM 0 HH TYR A 67 7.929 12.291 -0.079 1.00 0.40 H new ATOM 1098 N SER A 68 3.360 6.317 4.547 1.00 0.15 N ATOM 1099 CA SER A 68 3.066 5.338 5.575 1.00 0.18 C ATOM 1100 C SER A 68 1.661 4.768 5.403 1.00 0.17 C ATOM 1101 O SER A 68 1.424 3.593 5.680 1.00 0.20 O ATOM 1102 CB SER A 68 3.202 5.980 6.952 1.00 0.26 C ATOM 1103 OG SER A 68 4.187 7.000 6.941 1.00 1.22 O ATOM 0 H SER A 68 3.513 7.261 4.903 1.00 0.15 H new ATOM 0 HA SER A 68 3.779 4.519 5.483 1.00 0.18 H new ATOM 0 HB2 SER A 68 2.243 6.398 7.259 1.00 0.26 H new ATOM 0 HB3 SER A 68 3.468 5.220 7.687 1.00 0.26 H new ATOM 0 HG SER A 68 5.068 6.602 6.783 1.00 1.22 H new ATOM 1109 N GLY A 69 0.734 5.608 4.946 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.617 5.152 4.679 1.00 0.17 C ATOM 1111 C GLY A 69 -0.641 4.075 3.618 1.00 0.16 C ATOM 1112 O GLY A 69 -1.446 3.148 3.681 1.00 0.17 O ATOM 0 H GLY A 69 0.897 6.597 4.756 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.060 4.768 5.598 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.229 5.994 4.357 1.00 0.17 H new ATOM 1116 N ILE A 70 0.247 4.206 2.641 1.00 0.15 N ATOM 1117 CA ILE A 70 0.447 3.179 1.635 1.00 0.16 C ATOM 1118 C ILE A 70 0.866 1.866 2.293 1.00 0.16 C ATOM 1119 O ILE A 70 0.312 0.810 2.002 1.00 0.17 O ATOM 1120 CB ILE A 70 1.536 3.604 0.638 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.078 4.821 -0.162 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.887 2.448 -0.276 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.135 5.366 -1.097 1.00 0.18 C ATOM 0 H ILE A 70 0.845 5.024 2.526 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.496 3.040 1.105 1.00 0.16 H new ATOM 0 HB ILE A 70 2.433 3.884 1.190 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.195 4.552 -0.743 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.777 5.608 0.530 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.660 2.761 -0.978 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.255 1.612 0.319 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.000 2.138 -0.828 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.738 6.229 -1.631 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.010 5.667 -0.521 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.420 4.595 -1.813 1.00 0.18 H new ATOM 1135 N CYS A 71 1.853 1.947 3.183 1.00 0.17 N ATOM 1136 CA CYS A 71 2.315 0.786 3.937 1.00 0.18 C ATOM 1137 C CYS A 71 1.159 0.149 4.704 1.00 0.17 C ATOM 1138 O CYS A 71 1.056 -1.073 4.792 1.00 0.17 O ATOM 1139 CB CYS A 71 3.426 1.193 4.907 1.00 0.21 C ATOM 1140 SG CYS A 71 4.946 1.733 4.099 1.00 1.10 S ATOM 0 H CYS A 71 2.350 2.811 3.400 1.00 0.17 H new ATOM 0 HA CYS A 71 2.710 0.054 3.233 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.060 1.998 5.545 1.00 0.21 H new ATOM 0 HB3 CYS A 71 3.653 0.349 5.558 1.00 0.21 H new ATOM 0 HG CYS A 71 5.296 0.858 3.204 1.00 1.10 H new ATOM 1146 N GLN A 72 0.280 0.990 5.239 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.891 0.513 5.965 1.00 0.19 C ATOM 1148 C GLN A 72 -1.882 -0.140 5.012 1.00 0.17 C ATOM 1149 O GLN A 72 -2.635 -1.032 5.394 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.563 1.662 6.711 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.637 2.368 7.683 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.033 1.428 8.707 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.640 0.425 9.087 1.00 1.82 O ATOM 1154 NE2 GLN A 72 1.169 1.743 9.160 1.00 1.56 N ATOM 0 H GLN A 72 0.357 2.006 5.183 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.562 -0.231 6.691 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.939 2.385 5.988 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.426 1.278 7.255 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.164 2.855 7.126 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.190 3.153 8.199 1.00 0.28 H new ATOM 0 HE21 GLN A 72 1.638 2.582 8.820 1.00 1.56 H new ATOM 0 HE22 GLN A 72 1.627 1.147 9.849 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.869 0.316 3.767 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.723 -0.239 2.730 1.00 0.15 C ATOM 1165 C PHE A 73 -2.227 -1.616 2.308 1.00 0.15 C ATOM 1166 O PHE A 73 -2.999 -2.570 2.253 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.770 0.710 1.528 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.559 0.191 0.360 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.919 -0.296 -0.763 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.942 0.178 0.396 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.639 -0.787 -1.832 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.669 -0.311 -0.671 1.00 0.17 C ATOM 1173 CZ PHE A 73 -5.016 -0.744 -1.809 1.00 0.15 C ATOM 0 H PHE A 73 -1.269 1.077 3.450 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.732 -0.350 3.128 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.198 1.660 1.847 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.750 0.914 1.201 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.840 -0.292 -0.805 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.458 0.554 1.267 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.125 -1.204 -2.685 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.747 -0.355 -0.616 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.583 -1.048 -2.677 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.932 -1.725 2.025 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.353 -3.005 1.623 1.00 0.19 C ATOM 1185 C VAL A 74 -0.381 -3.979 2.792 1.00 0.19 C ATOM 1186 O VAL A 74 -0.353 -5.195 2.609 1.00 0.21 O ATOM 1187 CB VAL A 74 1.096 -2.855 1.111 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.231 -1.583 0.308 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.101 -2.875 2.251 1.00 0.24 C ATOM 0 H VAL A 74 -0.269 -0.951 2.066 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.958 -3.389 0.802 1.00 0.19 H new ATOM 0 HB VAL A 74 1.315 -3.709 0.470 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.256 -1.485 -0.049 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.552 -1.617 -0.544 1.00 0.28 H new ATOM 0 HG13 VAL A 74 0.983 -0.728 0.937 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.109 -2.767 1.850 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.892 -2.052 2.934 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.024 -3.821 2.788 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.428 -3.423 3.993 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.597 -4.213 5.199 1.00 0.23 C ATOM 1201 C LYS A 75 -1.880 -5.027 5.127 1.00 0.24 C ATOM 1202 O LYS A 75 -1.914 -6.186 5.523 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.623 -3.312 6.433 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.205 -3.987 7.658 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.483 -2.991 8.768 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.390 -3.590 9.830 1.00 1.08 C ATOM 1207 NZ LYS A 75 -3.655 -4.111 9.245 1.00 1.85 N ATOM 0 H LYS A 75 -0.351 -2.419 4.157 1.00 0.20 H new ATOM 0 HA LYS A 75 0.250 -4.894 5.279 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.392 -2.984 6.656 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.205 -2.418 6.209 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -2.129 -4.498 7.388 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.513 -4.749 8.017 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.543 -2.678 9.223 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.948 -2.098 8.351 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -1.867 -4.397 10.342 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -2.621 -2.834 10.580 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.439 -3.944 9.908 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -3.850 -3.622 8.348 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -3.562 -5.132 9.069 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.927 -4.418 4.600 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.202 -5.095 4.450 1.00 0.24 C ATOM 1223 C GLU A 76 -4.056 -6.247 3.464 1.00 0.24 C ATOM 1224 O GLU A 76 -4.683 -7.288 3.608 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.263 -4.106 3.969 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.308 -2.828 4.782 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.689 -3.062 6.230 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -6.890 -3.259 6.510 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -4.797 -3.050 7.101 1.00 1.31 O ATOM 0 H GLU A 76 -2.919 -3.454 4.268 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.516 -5.496 5.414 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.070 -3.857 2.925 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.241 -4.587 4.007 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.332 -2.344 4.742 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.023 -2.141 4.330 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.193 -6.061 2.475 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.920 -7.098 1.491 1.00 0.22 C ATOM 1238 C ALA A 77 -2.095 -8.229 2.098 1.00 0.22 C ATOM 1239 O ALA A 77 -2.300 -9.401 1.779 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.209 -6.511 0.288 1.00 0.24 C ATOM 0 H ALA A 77 -2.668 -5.198 2.333 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.874 -7.514 1.166 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -2.012 -7.299 -0.439 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.837 -5.746 -0.168 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.266 -6.065 0.604 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.164 -7.872 2.974 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.347 -8.856 3.679 1.00 0.30 C ATOM 1248 C LYS A 78 -1.201 -9.558 4.727 1.00 0.31 C ATOM 1249 O LYS A 78 -0.883 -10.654 5.187 1.00 0.37 O ATOM 1250 CB LYS A 78 0.877 -8.171 4.316 1.00 0.42 C ATOM 1251 CG LYS A 78 0.663 -7.643 5.731 1.00 0.84 C ATOM 1252 CD LYS A 78 1.771 -6.681 6.154 1.00 0.72 C ATOM 1253 CE LYS A 78 2.679 -7.294 7.202 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.945 -7.616 8.453 1.00 1.88 N ATOM 0 H LYS A 78 -0.954 -6.903 3.215 1.00 0.24 H new ATOM 0 HA LYS A 78 0.023 -9.603 2.976 1.00 0.30 H new ATOM 0 HB2 LYS A 78 1.704 -8.881 4.332 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.182 -7.341 3.678 1.00 0.42 H new ATOM 0 HG2 LYS A 78 -0.300 -7.135 5.787 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.623 -8.480 6.428 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.361 -6.400 5.282 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.328 -5.766 6.547 1.00 0.72 H new ATOM 0 HE2 LYS A 78 3.132 -8.202 6.803 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.492 -6.604 7.426 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 2.596 -7.557 9.262 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.167 -6.938 8.583 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 1.558 -8.579 8.390 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.289 -8.894 5.086 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.258 -9.416 6.043 1.00 0.36 C ATOM 1270 C ASP A 79 -4.118 -10.522 5.434 1.00 0.34 C ATOM 1271 O ASP A 79 -4.248 -11.601 6.013 1.00 0.38 O ATOM 1272 CB ASP A 79 -4.151 -8.290 6.563 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.659 -7.696 7.868 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.847 -6.482 8.088 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -3.094 -8.444 8.692 1.00 1.60 O ATOM 0 H ASP A 79 -2.528 -7.972 4.721 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.697 -9.846 6.873 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -4.208 -7.503 5.811 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -5.162 -8.671 6.703 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.695 -10.265 4.262 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.597 -11.237 3.635 1.00 0.32 C ATOM 1282 C ILE A 80 -4.813 -12.211 2.777 1.00 0.30 C ATOM 1283 O ILE A 80 -5.332 -13.234 2.321 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.714 -10.559 2.793 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.434 -10.578 1.278 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.916 -9.135 3.268 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.389 -9.592 0.806 1.00 0.22 C ATOM 0 H ILE A 80 -4.559 -9.405 3.731 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.088 -11.779 4.443 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.623 -11.142 2.945 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.118 -11.582 0.995 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.366 -10.377 0.750 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.700 -8.662 2.676 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.207 -9.140 4.318 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.987 -8.577 3.152 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.264 -9.683 -0.273 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.708 -8.579 1.050 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.440 -9.803 1.300 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.553 -11.851 2.577 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.589 -12.651 1.838 1.00 0.29 C ATOM 1301 C LYS A 81 -2.857 -12.603 0.342 1.00 0.29 C ATOM 1302 O LYS A 81 -3.038 -13.630 -0.309 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.546 -14.102 2.341 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.117 -14.235 3.794 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.757 -13.601 4.030 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.295 -13.783 5.463 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.943 -13.010 5.740 1.00 1.47 N ATOM 0 H LYS A 81 -3.165 -10.977 2.932 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.608 -12.212 2.017 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.533 -14.548 2.221 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.860 -14.673 1.716 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.858 -13.762 4.439 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.082 -15.289 4.070 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.027 -14.044 3.353 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.805 -12.538 3.795 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -1.084 -13.464 6.144 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.115 -14.841 5.657 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 1.425 -13.412 6.569 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 1.575 -13.059 4.915 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.697 -12.017 5.930 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.880 -11.397 -0.199 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.031 -11.241 -1.628 1.00 0.26 C ATOM 1323 C GLY A 82 -1.817 -10.627 -2.298 1.00 0.22 C ATOM 1324 O GLY A 82 -0.672 -10.918 -1.943 1.00 0.23 O ATOM 0 H GLY A 82 -2.797 -10.525 0.324 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.229 -12.216 -2.074 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.902 -10.617 -1.828 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.085 -9.790 -3.287 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.059 -9.108 -4.056 1.00 0.17 C ATOM 1330 C LYS A 83 -1.262 -7.607 -3.945 1.00 0.16 C ATOM 1331 O LYS A 83 -2.375 -7.151 -3.679 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.108 -9.523 -5.524 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.257 -10.739 -5.817 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.834 -11.984 -5.180 1.00 0.30 C ATOM 1335 CE LYS A 83 0.258 -12.931 -4.737 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.970 -13.548 -5.885 1.00 1.06 N ATOM 0 H LYS A 83 -3.035 -9.563 -3.582 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.084 -9.384 -3.654 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.141 -9.732 -5.804 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.772 -8.692 -6.144 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.182 -10.881 -6.895 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.755 -10.575 -5.446 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.447 -11.706 -4.323 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.489 -12.488 -5.890 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.973 -12.392 -4.116 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.175 -13.716 -4.117 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.709 -14.189 -5.531 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.294 -14.085 -6.465 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.406 -12.802 -6.464 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.210 -6.844 -4.154 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.310 -5.400 -4.075 1.00 0.15 C ATOM 1352 C LEU A 84 -0.092 -4.783 -5.452 1.00 0.15 C ATOM 1353 O LEU A 84 0.849 -5.141 -6.158 1.00 0.17 O ATOM 1354 CB LEU A 84 0.705 -4.868 -3.058 1.00 0.16 C ATOM 1355 CG LEU A 84 0.464 -3.442 -2.552 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.059 -2.426 -3.513 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.028 -3.177 -2.356 1.00 0.15 C ATOM 0 H LEU A 84 0.720 -7.196 -4.379 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.309 -5.121 -3.739 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.716 -5.540 -2.200 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.697 -4.910 -3.508 1.00 0.16 H new ATOM 0 HG LEU A 84 0.959 -3.339 -1.586 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.878 -1.419 -3.136 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.133 -2.593 -3.600 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.594 -2.536 -4.493 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.172 -2.158 -1.996 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.548 -3.304 -3.306 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.430 -3.880 -1.626 1.00 0.15 H new ATOM 1369 N THR A 85 -0.981 -3.881 -5.834 1.00 0.16 N ATOM 1370 CA THR A 85 -0.896 -3.196 -7.112 1.00 0.17 C ATOM 1371 C THR A 85 -0.771 -1.688 -6.910 1.00 0.17 C ATOM 1372 O THR A 85 -1.635 -1.054 -6.303 1.00 0.21 O ATOM 1373 CB THR A 85 -2.138 -3.496 -7.979 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.199 -4.896 -8.276 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.121 -2.699 -9.277 1.00 0.20 C ATOM 0 H THR A 85 -1.782 -3.603 -5.266 1.00 0.16 H new ATOM 0 HA THR A 85 -0.007 -3.562 -7.625 1.00 0.17 H new ATOM 0 HB THR A 85 -3.020 -3.200 -7.411 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.990 -5.080 -8.825 1.00 0.20 H new ATOM 0 HG21 THR A 85 -3.010 -2.936 -9.861 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.110 -1.633 -9.049 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.231 -2.957 -9.851 1.00 0.20 H new ATOM 1383 N LEU A 86 0.318 -1.123 -7.400 1.00 0.16 N ATOM 1384 CA LEU A 86 0.514 0.317 -7.362 1.00 0.18 C ATOM 1385 C LEU A 86 -0.074 0.941 -8.623 1.00 0.19 C ATOM 1386 O LEU A 86 0.452 0.751 -9.714 1.00 0.21 O ATOM 1387 CB LEU A 86 2.019 0.630 -7.232 1.00 0.22 C ATOM 1388 CG LEU A 86 2.426 2.116 -7.191 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.534 2.701 -8.594 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.441 2.918 -6.348 1.00 1.51 C ATOM 0 H LEU A 86 1.084 -1.641 -7.831 1.00 0.16 H new ATOM 0 HA LEU A 86 0.003 0.742 -6.498 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.386 0.153 -6.323 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.536 0.161 -8.069 1.00 0.22 H new ATOM 0 HG LEU A 86 3.411 2.180 -6.728 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.823 3.750 -8.530 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.286 2.152 -9.160 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.570 2.620 -9.097 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.745 3.965 -6.331 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.443 2.837 -6.779 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.430 2.527 -5.331 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.173 1.658 -8.471 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.774 2.373 -9.586 1.00 0.23 C ATOM 1404 C LEU A 87 -1.017 3.670 -9.818 1.00 0.26 C ATOM 1405 O LEU A 87 -0.459 4.243 -8.884 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.246 2.690 -9.309 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.130 1.496 -8.952 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.507 1.974 -8.517 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.248 0.546 -10.132 1.00 0.24 C ATOM 0 H LEU A 87 -1.669 1.762 -7.586 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.718 1.739 -10.471 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.295 3.411 -8.493 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.665 3.177 -10.190 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.668 0.958 -8.124 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.128 1.114 -8.265 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.409 2.619 -7.644 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -5.972 2.532 -9.330 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.881 -0.298 -9.858 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.689 1.071 -10.979 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.258 0.182 -10.407 1.00 0.24 H new ATOM 1421 N GLN A 88 -0.991 4.133 -11.050 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.335 5.388 -11.354 1.00 0.41 C ATOM 1423 C GLN A 88 -1.352 6.333 -11.965 1.00 0.47 C ATOM 1424 O GLN A 88 -2.117 5.936 -12.847 1.00 0.52 O ATOM 1425 CB GLN A 88 0.828 5.147 -12.320 1.00 0.50 C ATOM 1426 CG GLN A 88 1.653 6.386 -12.618 1.00 0.73 C ATOM 1427 CD GLN A 88 2.751 6.118 -13.624 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.871 5.749 -13.264 1.00 1.93 O ATOM 1429 NE2 GLN A 88 2.440 6.301 -14.894 1.00 1.78 N ATOM 0 H GLN A 88 -1.413 3.664 -11.852 1.00 0.34 H new ATOM 0 HA GLN A 88 0.067 5.831 -10.443 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.481 4.381 -11.902 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.433 4.753 -13.256 1.00 0.50 H new ATOM 0 HG2 GLN A 88 1.000 7.172 -12.997 1.00 0.73 H new ATOM 0 HG3 GLN A 88 2.094 6.757 -11.693 1.00 0.73 H new ATOM 0 HE21 GLN A 88 1.501 6.607 -15.150 1.00 1.78 H new ATOM 0 HE22 GLN A 88 3.138 6.136 -15.619 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.328 7.583 -11.509 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.346 8.576 -11.855 1.00 0.58 C ATOM 1440 C HIS A 89 -2.247 9.751 -10.886 1.00 0.56 C ATOM 1441 O HIS A 89 -1.803 10.840 -11.248 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.756 7.957 -11.779 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.847 8.794 -12.379 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.302 8.622 -13.670 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.597 9.790 -11.851 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.282 9.475 -13.906 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.481 10.195 -12.819 1.00 1.67 N ATOM 0 H HIS A 89 -0.601 7.938 -10.888 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.175 8.920 -12.875 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.740 6.991 -12.283 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -3.997 7.767 -10.733 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -5.515 10.192 -10.852 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -6.828 9.567 -14.833 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -7.178 10.932 -12.715 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.633 9.501 -9.636 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.630 10.523 -8.601 1.00 0.61 C ATOM 1458 C PHE A 90 -1.210 10.989 -8.291 1.00 0.61 C ATOM 1459 O PHE A 90 -0.984 12.154 -7.980 1.00 0.60 O ATOM 1460 CB PHE A 90 -3.281 9.958 -7.339 1.00 0.74 C ATOM 1461 CG PHE A 90 -3.451 10.956 -6.228 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -2.557 10.997 -5.169 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -4.514 11.844 -6.236 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -2.721 11.904 -4.141 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -4.683 12.754 -5.211 1.00 3.95 C ATOM 1466 CZ PHE A 90 -3.786 12.784 -4.162 1.00 3.79 C ATOM 0 H PHE A 90 -2.955 8.587 -9.317 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.194 11.385 -8.957 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -4.259 9.553 -7.600 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -2.678 9.126 -6.975 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -1.723 10.312 -5.148 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -5.219 11.825 -7.054 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -2.018 11.926 -3.322 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -5.516 13.441 -5.230 1.00 3.95 H new ATOM 0 HZ PHE A 90 -3.917 13.494 -3.359 1.00 3.79 H new ATOM 1510 N PHE A 94 -0.368 14.791 -7.902 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.042 15.263 -6.565 1.00 0.62 C ATOM 1512 C PHE A 94 1.479 15.327 -6.419 1.00 0.55 C ATOM 1513 O PHE A 94 2.190 14.564 -7.068 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.650 14.298 -5.538 1.00 0.63 C ATOM 1515 CG PHE A 94 -0.882 14.889 -4.173 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.025 14.596 -3.124 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.944 15.746 -3.945 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.226 15.146 -1.873 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.151 16.298 -2.695 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.332 15.964 -1.650 1.00 2.62 C ATOM 0 HA PHE A 94 -0.451 16.259 -6.396 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.600 13.930 -5.925 1.00 0.63 H new ATOM 0 HB3 PHE A 94 0.009 13.435 -5.437 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.810 13.930 -3.287 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.619 15.986 -4.753 1.00 1.16 H new ATOM 0 HE1 PHE A 94 0.470 14.943 -1.072 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.962 16.995 -2.542 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.542 16.333 -0.657 1.00 2.62 H new ATOM 1530 N PRO A 95 2.009 16.247 -5.592 1.00 0.57 N ATOM 1531 CA PRO A 95 3.462 16.401 -5.395 1.00 0.56 C ATOM 1532 C PRO A 95 4.119 15.251 -4.623 1.00 0.50 C ATOM 1533 O PRO A 95 5.200 15.421 -4.056 1.00 0.68 O ATOM 1534 CB PRO A 95 3.571 17.700 -4.592 1.00 0.61 C ATOM 1535 CG PRO A 95 2.273 17.804 -3.877 1.00 0.62 C ATOM 1536 CD PRO A 95 1.248 17.248 -4.821 1.00 0.69 C ATOM 0 HA PRO A 95 3.982 16.408 -6.353 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.407 17.666 -3.894 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.735 18.558 -5.244 1.00 0.61 H new ATOM 0 HG2 PRO A 95 2.293 17.241 -2.944 1.00 0.62 H new ATOM 0 HG3 PRO A 95 2.049 18.839 -3.620 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.412 16.795 -4.287 1.00 0.69 H new ATOM 0 HD3 PRO A 95 0.832 18.022 -5.466 1.00 0.69 H new ATOM 1544 N ILE A 96 3.481 14.090 -4.597 1.00 0.36 N ATOM 1545 CA ILE A 96 4.085 12.908 -3.999 1.00 0.29 C ATOM 1546 C ILE A 96 4.343 11.847 -5.058 1.00 0.31 C ATOM 1547 O ILE A 96 3.412 11.263 -5.610 1.00 0.34 O ATOM 1548 CB ILE A 96 3.230 12.289 -2.879 1.00 0.23 C ATOM 1549 CG1 ILE A 96 3.004 13.295 -1.754 1.00 0.29 C ATOM 1550 CG2 ILE A 96 3.938 11.061 -2.340 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.119 12.775 -0.644 1.00 0.24 C ATOM 0 H ILE A 96 2.548 13.941 -4.982 1.00 0.36 H new ATOM 0 HA ILE A 96 5.022 13.245 -3.555 1.00 0.29 H new ATOM 0 HB ILE A 96 2.258 12.009 -3.285 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.969 13.580 -1.334 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.558 14.198 -2.170 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.339 10.615 -1.546 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.072 10.336 -3.143 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.912 11.347 -1.943 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.003 13.544 0.120 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.141 12.516 -1.049 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.574 11.889 -0.201 1.00 0.24 H new ATOM 1563 N LYS A 97 5.611 11.614 -5.336 1.00 0.35 N ATOM 1564 CA LYS A 97 6.016 10.598 -6.291 1.00 0.38 C ATOM 1565 C LYS A 97 6.919 9.592 -5.598 1.00 0.35 C ATOM 1566 O LYS A 97 7.988 9.949 -5.099 1.00 0.44 O ATOM 1567 CB LYS A 97 6.743 11.239 -7.471 1.00 0.50 C ATOM 1568 CG LYS A 97 5.855 12.139 -8.312 1.00 0.75 C ATOM 1569 CD LYS A 97 6.651 12.891 -9.366 1.00 0.78 C ATOM 1570 CE LYS A 97 7.570 13.929 -8.739 1.00 0.91 C ATOM 1571 NZ LYS A 97 8.298 14.713 -9.770 1.00 1.38 N ATOM 0 H LYS A 97 6.387 12.120 -4.909 1.00 0.35 H new ATOM 0 HA LYS A 97 5.132 10.087 -6.672 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.585 11.820 -7.096 1.00 0.50 H new ATOM 0 HB3 LYS A 97 7.155 10.453 -8.104 1.00 0.50 H new ATOM 0 HG2 LYS A 97 5.085 11.539 -8.797 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.343 12.852 -7.665 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.243 12.185 -9.948 1.00 0.78 H new ATOM 0 HD3 LYS A 97 5.967 13.381 -10.059 1.00 0.78 H new ATOM 0 HE2 LYS A 97 6.984 14.604 -8.115 1.00 0.91 H new ATOM 0 HE3 LYS A 97 8.287 13.433 -8.086 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 8.914 15.410 -9.305 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 8.876 14.072 -10.350 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 7.614 15.207 -10.378 1.00 1.38 H new ATOM 1585 N VAL A 98 6.501 8.335 -5.564 1.00 0.30 N ATOM 1586 CA VAL A 98 7.200 7.334 -4.769 1.00 0.26 C ATOM 1587 C VAL A 98 7.305 5.995 -5.482 1.00 0.28 C ATOM 1588 O VAL A 98 6.691 5.785 -6.529 1.00 0.33 O ATOM 1589 CB VAL A 98 6.500 7.124 -3.411 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.523 8.408 -2.601 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.070 6.641 -3.611 1.00 0.21 C ATOM 0 H VAL A 98 5.689 7.985 -6.072 1.00 0.30 H new ATOM 0 HA VAL A 98 8.208 7.718 -4.613 1.00 0.26 H new ATOM 0 HB VAL A 98 7.043 6.357 -2.859 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.025 8.244 -1.645 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.556 8.709 -2.425 1.00 0.25 H new ATOM 0 HG13 VAL A 98 6.004 9.194 -3.150 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.595 6.499 -2.640 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.512 7.382 -4.183 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.078 5.695 -4.153 1.00 0.21 H new ATOM 1601 N ASP A 99 8.107 5.106 -4.907 1.00 0.28 N ATOM 1602 CA ASP A 99 8.257 3.746 -5.405 1.00 0.32 C ATOM 1603 C ASP A 99 8.198 2.761 -4.244 1.00 0.23 C ATOM 1604 O ASP A 99 8.857 2.949 -3.218 1.00 0.27 O ATOM 1605 CB ASP A 99 9.578 3.571 -6.158 1.00 0.51 C ATOM 1606 CG ASP A 99 9.613 4.302 -7.488 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.234 3.702 -8.519 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.006 5.489 -7.508 1.00 0.98 O ATOM 0 H ASP A 99 8.671 5.309 -4.082 1.00 0.28 H new ATOM 0 HA ASP A 99 7.439 3.550 -6.099 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.395 3.930 -5.532 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.752 2.509 -6.330 1.00 0.51 H new ATOM 1613 N LEU A 100 7.396 1.723 -4.405 1.00 0.19 N ATOM 1614 CA LEU A 100 7.190 0.733 -3.363 1.00 0.13 C ATOM 1615 C LEU A 100 8.149 -0.437 -3.528 1.00 0.13 C ATOM 1616 O LEU A 100 8.403 -0.882 -4.646 1.00 0.16 O ATOM 1617 CB LEU A 100 5.751 0.212 -3.412 1.00 0.18 C ATOM 1618 CG LEU A 100 4.651 1.227 -3.084 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.532 2.295 -4.160 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.327 0.508 -2.916 1.00 0.35 C ATOM 0 H LEU A 100 6.870 1.543 -5.260 1.00 0.19 H new ATOM 0 HA LEU A 100 7.378 1.212 -2.402 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.564 -0.185 -4.410 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.665 -0.623 -2.716 1.00 0.18 H new ATOM 0 HG LEU A 100 4.919 1.726 -2.153 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.742 2.996 -3.891 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.477 2.830 -4.247 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.292 1.825 -5.114 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.547 1.232 -2.683 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.075 -0.012 -3.841 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.406 -0.215 -2.104 1.00 0.35 H new ATOM 1632 N TYR A 101 8.679 -0.933 -2.417 1.00 0.13 N ATOM 1633 CA TYR A 101 9.567 -2.092 -2.437 1.00 0.16 C ATOM 1634 C TYR A 101 9.121 -3.122 -1.404 1.00 0.16 C ATOM 1635 O TYR A 101 8.611 -2.763 -0.339 1.00 0.19 O ATOM 1636 CB TYR A 101 11.027 -1.689 -2.161 1.00 0.19 C ATOM 1637 CG TYR A 101 11.743 -1.054 -3.338 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.229 0.064 -3.979 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.944 -1.576 -3.802 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.885 0.643 -5.044 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.607 -1.001 -4.869 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.073 0.109 -5.485 1.00 0.28 C ATOM 1643 OH TYR A 101 13.727 0.692 -6.547 1.00 0.33 O ATOM 0 H TYR A 101 8.509 -0.550 -1.487 1.00 0.13 H new ATOM 0 HA TYR A 101 9.512 -2.528 -3.435 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.045 -0.992 -1.323 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.582 -2.575 -1.851 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.297 0.489 -3.637 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.366 -2.446 -3.321 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.468 1.512 -5.530 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.539 -1.420 -5.218 1.00 0.30 H new ATOM 0 HH TYR A 101 14.098 -0.006 -7.126 1.00 0.33 H new ATOM 1653 N PHE A 102 9.298 -4.396 -1.732 1.00 0.16 N ATOM 1654 CA PHE A 102 9.040 -5.471 -0.787 1.00 0.16 C ATOM 1655 C PHE A 102 10.337 -6.188 -0.437 1.00 0.15 C ATOM 1656 O PHE A 102 11.234 -6.325 -1.270 1.00 0.19 O ATOM 1657 CB PHE A 102 8.072 -6.523 -1.343 1.00 0.20 C ATOM 1658 CG PHE A 102 6.643 -6.089 -1.504 1.00 0.16 C ATOM 1659 CD1 PHE A 102 5.994 -5.376 -0.513 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.936 -6.446 -2.636 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.666 -5.023 -0.654 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.612 -6.093 -2.785 1.00 0.34 C ATOM 1663 CZ PHE A 102 3.976 -5.380 -1.791 1.00 0.31 C ATOM 0 H PHE A 102 9.620 -4.709 -2.648 1.00 0.16 H new ATOM 0 HA PHE A 102 8.594 -5.003 0.090 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.442 -6.850 -2.315 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.094 -7.391 -0.685 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.531 -5.092 0.380 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.428 -7.010 -3.415 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.169 -4.467 0.127 1.00 0.27 H new ATOM 0 HE2 PHE A 102 4.074 -6.374 -3.678 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.939 -5.102 -1.904 1.00 0.31 H new ATOM 1673 N LEU A 103 10.416 -6.648 0.793 1.00 0.16 N ATOM 1674 CA LEU A 103 11.506 -7.491 1.247 1.00 0.17 C ATOM 1675 C LEU A 103 10.993 -8.923 1.310 1.00 0.18 C ATOM 1676 O LEU A 103 10.003 -9.181 1.984 1.00 0.19 O ATOM 1677 CB LEU A 103 11.952 -7.030 2.645 1.00 0.18 C ATOM 1678 CG LEU A 103 13.343 -7.471 3.132 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.509 -8.982 3.140 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.438 -6.826 2.301 1.00 0.25 C ATOM 0 H LEU A 103 9.722 -6.447 1.513 1.00 0.16 H new ATOM 0 HA LEU A 103 12.356 -7.427 0.568 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.919 -5.941 2.666 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.216 -7.385 3.366 1.00 0.18 H new ATOM 0 HG LEU A 103 13.432 -7.131 4.164 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.509 -9.236 3.492 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.767 -9.426 3.803 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.371 -9.369 2.130 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.412 -7.154 2.665 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.323 -7.119 1.257 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.366 -5.741 2.383 1.00 0.25 H new ATOM 1692 N LYS A 104 11.621 -9.846 0.598 1.00 0.23 N ATOM 1693 CA LYS A 104 11.242 -11.245 0.702 1.00 0.29 C ATOM 1694 C LYS A 104 12.444 -12.104 1.061 1.00 0.33 C ATOM 1695 O LYS A 104 13.274 -12.418 0.205 1.00 0.39 O ATOM 1696 CB LYS A 104 10.590 -11.747 -0.581 1.00 0.42 C ATOM 1697 CG LYS A 104 9.225 -11.132 -0.822 1.00 0.60 C ATOM 1698 CD LYS A 104 9.321 -9.901 -1.698 1.00 0.64 C ATOM 1699 CE LYS A 104 8.865 -10.176 -3.125 1.00 0.66 C ATOM 1700 NZ LYS A 104 9.595 -11.309 -3.755 1.00 1.22 N ATOM 0 H LYS A 104 12.385 -9.655 -0.050 1.00 0.23 H new ATOM 0 HA LYS A 104 10.506 -11.326 1.502 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.240 -11.522 -1.426 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.492 -12.832 -0.534 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.572 -11.866 -1.294 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.770 -10.867 0.132 1.00 0.60 H new ATOM 0 HD2 LYS A 104 8.712 -9.104 -1.271 1.00 0.64 H new ATOM 0 HD3 LYS A 104 10.351 -9.544 -1.709 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.797 -10.393 -3.125 1.00 0.66 H new ATOM 0 HE3 LYS A 104 9.008 -9.278 -3.727 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 9.847 -11.059 -4.733 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 10.461 -11.507 -3.214 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 8.988 -12.154 -3.759 1.00 1.22 H new ATOM 1714 N GLY A 105 12.531 -12.482 2.331 1.00 0.34 N ATOM 1715 CA GLY A 105 13.668 -13.241 2.809 1.00 0.42 C ATOM 1716 C GLY A 105 14.926 -12.404 2.819 1.00 0.40 C ATOM 1717 O GLY A 105 15.161 -11.629 3.749 1.00 0.40 O ATOM 0 H GLY A 105 11.829 -12.274 3.041 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.465 -13.608 3.815 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.816 -14.115 2.175 1.00 0.42 H new ATOM 1721 N SER A 106 15.734 -12.562 1.789 1.00 0.40 N ATOM 1722 CA SER A 106 16.906 -11.731 1.607 1.00 0.41 C ATOM 1723 C SER A 106 16.801 -10.943 0.304 1.00 0.37 C ATOM 1724 O SER A 106 17.581 -10.033 0.051 1.00 0.41 O ATOM 1725 CB SER A 106 18.162 -12.602 1.603 1.00 0.52 C ATOM 1726 OG SER A 106 17.996 -13.726 0.752 1.00 1.31 O ATOM 0 H SER A 106 15.598 -13.264 1.061 1.00 0.40 H new ATOM 0 HA SER A 106 16.970 -11.022 2.433 1.00 0.41 H new ATOM 0 HB2 SER A 106 19.017 -12.013 1.271 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.380 -12.937 2.617 1.00 0.52 H new ATOM 0 HG SER A 106 18.812 -14.268 0.763 1.00 1.31 H new ATOM 1732 N LYS A 107 15.817 -11.287 -0.512 1.00 0.36 N ATOM 1733 CA LYS A 107 15.679 -10.687 -1.828 1.00 0.37 C ATOM 1734 C LYS A 107 14.683 -9.528 -1.794 1.00 0.32 C ATOM 1735 O LYS A 107 13.494 -9.723 -1.534 1.00 0.39 O ATOM 1736 CB LYS A 107 15.220 -11.746 -2.836 1.00 0.47 C ATOM 1737 CG LYS A 107 15.433 -11.352 -4.290 1.00 0.65 C ATOM 1738 CD LYS A 107 16.912 -11.253 -4.623 1.00 0.95 C ATOM 1739 CE LYS A 107 17.142 -10.912 -6.085 1.00 1.57 C ATOM 1740 NZ LYS A 107 16.655 -11.982 -6.995 1.00 2.27 N ATOM 0 H LYS A 107 15.102 -11.979 -0.285 1.00 0.36 H new ATOM 0 HA LYS A 107 16.649 -10.295 -2.134 1.00 0.37 H new ATOM 0 HB2 LYS A 107 15.755 -12.675 -2.640 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.161 -11.949 -2.677 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.960 -12.087 -4.941 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.949 -10.395 -4.484 1.00 0.65 H new ATOM 0 HD2 LYS A 107 17.375 -10.492 -3.995 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.401 -12.199 -4.390 1.00 0.95 H new ATOM 0 HE2 LYS A 107 16.635 -9.977 -6.322 1.00 1.57 H new ATOM 0 HE3 LYS A 107 18.206 -10.749 -6.255 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 17.023 -11.817 -7.954 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 16.985 -12.907 -6.652 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 15.615 -11.972 -7.017 1.00 2.27 H new ATOM 1754 N VAL A 108 15.176 -8.325 -2.041 1.00 0.24 N ATOM 1755 CA VAL A 108 14.320 -7.149 -2.122 1.00 0.22 C ATOM 1756 C VAL A 108 13.874 -6.916 -3.565 1.00 0.23 C ATOM 1757 O VAL A 108 14.663 -7.062 -4.501 1.00 0.30 O ATOM 1758 CB VAL A 108 15.023 -5.884 -1.574 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.408 -5.719 -2.169 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.177 -4.649 -1.831 1.00 0.79 C ATOM 0 H VAL A 108 16.167 -8.135 -2.189 1.00 0.24 H new ATOM 0 HA VAL A 108 13.446 -7.339 -1.499 1.00 0.22 H new ATOM 0 HB VAL A 108 15.138 -6.007 -0.497 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.874 -4.821 -1.763 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.017 -6.588 -1.920 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.330 -5.629 -3.252 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.688 -3.770 -1.439 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.023 -4.530 -2.903 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.212 -4.759 -1.336 1.00 0.79 H new ATOM 1770 N MET A 109 12.602 -6.582 -3.738 1.00 0.22 N ATOM 1771 CA MET A 109 12.033 -6.366 -5.060 1.00 0.27 C ATOM 1772 C MET A 109 11.095 -5.165 -5.060 1.00 0.24 C ATOM 1773 O MET A 109 10.247 -5.039 -4.178 1.00 0.25 O ATOM 1774 CB MET A 109 11.264 -7.607 -5.501 1.00 0.36 C ATOM 1775 CG MET A 109 12.151 -8.787 -5.863 1.00 0.44 C ATOM 1776 SD MET A 109 11.200 -10.263 -6.265 1.00 1.47 S ATOM 1777 CE MET A 109 12.503 -11.371 -6.787 1.00 1.85 C ATOM 0 H MET A 109 11.941 -6.454 -2.972 1.00 0.22 H new ATOM 0 HA MET A 109 12.850 -6.171 -5.754 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.587 -7.906 -4.701 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.646 -7.352 -6.362 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.778 -8.519 -6.713 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.820 -9.005 -5.030 1.00 0.44 H new ATOM 0 HE1 MET A 109 12.127 -12.033 -7.567 1.00 1.85 H new ATOM 0 HE2 MET A 109 13.340 -10.791 -7.175 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.837 -11.966 -5.937 1.00 1.85 H new ATOM 1787 N PRO A 110 11.241 -4.260 -6.041 1.00 0.24 N ATOM 1788 CA PRO A 110 10.352 -3.106 -6.195 1.00 0.23 C ATOM 1789 C PRO A 110 8.999 -3.490 -6.798 1.00 0.21 C ATOM 1790 O PRO A 110 8.856 -4.547 -7.419 1.00 0.20 O ATOM 1791 CB PRO A 110 11.134 -2.207 -7.147 1.00 0.27 C ATOM 1792 CG PRO A 110 11.885 -3.160 -7.995 1.00 0.29 C ATOM 1793 CD PRO A 110 12.298 -4.272 -7.072 1.00 0.28 C ATOM 0 HA PRO A 110 10.106 -2.637 -5.242 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.470 -1.580 -7.742 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.804 -1.539 -6.606 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.265 -3.535 -8.809 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.753 -2.683 -8.449 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.345 -5.230 -7.590 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.283 -4.094 -6.641 1.00 0.28 H new ATOM 1801 N LEU A 111 8.016 -2.619 -6.619 1.00 0.23 N ATOM 1802 CA LEU A 111 6.663 -2.856 -7.104 1.00 0.22 C ATOM 1803 C LEU A 111 6.567 -2.454 -8.570 1.00 0.22 C ATOM 1804 O LEU A 111 7.187 -1.478 -8.996 1.00 0.26 O ATOM 1805 CB LEU A 111 5.664 -2.021 -6.287 1.00 0.27 C ATOM 1806 CG LEU A 111 4.322 -2.677 -5.925 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.761 -3.525 -7.059 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.472 -3.499 -4.663 1.00 0.31 C ATOM 0 H LEU A 111 8.133 -1.729 -6.134 1.00 0.23 H new ATOM 0 HA LEU A 111 6.427 -3.915 -6.997 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.154 -1.722 -5.360 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.453 -1.108 -6.844 1.00 0.27 H new ATOM 0 HG LEU A 111 3.603 -1.876 -5.751 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.813 -3.965 -6.750 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.602 -2.899 -7.937 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.467 -4.319 -7.303 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.516 -3.960 -4.414 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.220 -4.276 -4.822 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.788 -2.853 -3.844 1.00 0.31 H new ATOM 1820 N ASN A 112 5.791 -3.202 -9.331 1.00 0.22 N ATOM 1821 CA ASN A 112 5.571 -2.904 -10.734 1.00 0.25 C ATOM 1822 C ASN A 112 4.274 -2.116 -10.886 1.00 0.23 C ATOM 1823 O ASN A 112 3.266 -2.437 -10.251 1.00 0.22 O ATOM 1824 CB ASN A 112 5.513 -4.204 -11.540 1.00 0.29 C ATOM 1825 CG ASN A 112 6.846 -4.925 -11.586 1.00 1.06 C ATOM 1826 OD1 ASN A 112 7.905 -4.303 -11.680 1.00 1.85 O ATOM 1827 ND2 ASN A 112 6.806 -6.244 -11.490 1.00 1.69 N ATOM 0 H ASN A 112 5.297 -4.030 -8.997 1.00 0.22 H new ATOM 0 HA ASN A 112 6.396 -2.302 -11.115 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.763 -4.864 -11.104 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.190 -3.982 -12.557 1.00 0.29 H new ATOM 0 HD21 ASN A 112 7.673 -6.782 -11.492 1.00 1.69 H new ATOM 0 HD22 ASN A 112 5.909 -6.723 -11.414 1.00 1.69 H new ATOM 1834 N THR A 113 4.314 -1.075 -11.707 1.00 0.29 N ATOM 1835 CA THR A 113 3.172 -0.190 -11.890 1.00 0.31 C ATOM 1836 C THR A 113 1.955 -0.945 -12.431 1.00 0.28 C ATOM 1837 O THR A 113 2.020 -1.573 -13.490 1.00 0.32 O ATOM 1838 CB THR A 113 3.523 0.958 -12.852 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.698 1.637 -12.387 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.370 1.945 -12.961 1.00 0.45 C ATOM 0 H THR A 113 5.132 -0.822 -12.261 1.00 0.29 H new ATOM 0 HA THR A 113 2.922 0.217 -10.910 1.00 0.31 H new ATOM 0 HB THR A 113 3.711 0.536 -13.839 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.920 2.366 -13.003 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.642 2.748 -13.647 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.485 1.431 -13.337 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.156 2.364 -11.978 1.00 0.45 H new ATOM 1848 N GLY A 114 0.855 -0.885 -11.681 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.379 -1.531 -12.086 1.00 0.27 C ATOM 1850 C GLY A 114 -0.214 -3.020 -12.260 1.00 0.28 C ATOM 1851 O GLY A 114 -0.782 -3.620 -13.173 1.00 0.38 O ATOM 0 H GLY A 114 0.800 -0.393 -10.789 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.150 -1.338 -11.340 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.725 -1.094 -13.023 1.00 0.27 H new ATOM 1855 N GLU A 115 0.582 -3.611 -11.392 1.00 0.26 N ATOM 1856 CA GLU A 115 0.840 -5.032 -11.436 1.00 0.27 C ATOM 1857 C GLU A 115 0.653 -5.621 -10.052 1.00 0.24 C ATOM 1858 O GLU A 115 1.205 -5.109 -9.081 1.00 0.23 O ATOM 1859 CB GLU A 115 2.271 -5.268 -11.901 1.00 0.30 C ATOM 1860 CG GLU A 115 2.574 -6.704 -12.285 1.00 0.38 C ATOM 1861 CD GLU A 115 1.877 -7.120 -13.557 1.00 1.07 C ATOM 1862 OE1 GLU A 115 0.994 -8.000 -13.493 1.00 1.93 O ATOM 1863 OE2 GLU A 115 2.185 -6.551 -14.624 1.00 1.19 O ATOM 0 H GLU A 115 1.066 -3.120 -10.640 1.00 0.26 H new ATOM 0 HA GLU A 115 0.148 -5.510 -12.129 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.473 -4.625 -12.758 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.953 -4.965 -11.107 1.00 0.30 H new ATOM 0 HG2 GLU A 115 3.650 -6.825 -12.408 1.00 0.38 H new ATOM 0 HG3 GLU A 115 2.269 -7.366 -11.474 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.159 -6.673 -9.933 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.298 -7.403 -8.681 1.00 0.26 C ATOM 1872 C PRO A 116 1.001 -8.107 -8.319 1.00 0.23 C ATOM 1873 O PRO A 116 1.437 -9.034 -9.002 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.415 -8.406 -8.971 1.00 0.33 C ATOM 1875 CG PRO A 116 -1.415 -8.559 -10.452 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.015 -7.223 -10.996 1.00 0.34 C ATOM 0 HA PRO A 116 -0.527 -6.758 -7.833 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.229 -9.359 -8.475 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.377 -8.041 -8.611 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -0.717 -9.335 -10.766 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.400 -8.851 -10.816 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.477 -7.316 -11.939 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.881 -6.589 -11.185 1.00 0.34 H new ATOM 1884 N PHE A 117 1.620 -7.646 -7.252 1.00 0.20 N ATOM 1885 CA PHE A 117 2.904 -8.171 -6.827 1.00 0.21 C ATOM 1886 C PHE A 117 2.767 -8.821 -5.455 1.00 0.21 C ATOM 1887 O PHE A 117 2.005 -8.349 -4.613 1.00 0.19 O ATOM 1888 CB PHE A 117 3.931 -7.033 -6.808 1.00 0.23 C ATOM 1889 CG PHE A 117 5.358 -7.476 -6.637 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.262 -6.668 -5.971 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.796 -8.691 -7.141 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.575 -7.063 -5.807 1.00 0.35 C ATOM 1893 CE2 PHE A 117 7.107 -9.091 -6.981 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.997 -8.277 -6.314 1.00 0.41 C ATOM 0 H PHE A 117 1.252 -6.903 -6.658 1.00 0.20 H new ATOM 0 HA PHE A 117 3.248 -8.935 -7.525 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.848 -6.472 -7.739 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.678 -6.348 -5.999 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.937 -5.717 -5.575 1.00 0.29 H new ATOM 0 HD2 PHE A 117 5.103 -9.332 -7.665 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.271 -6.424 -5.283 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.435 -10.040 -7.378 1.00 0.40 H new ATOM 0 HZ PHE A 117 9.024 -8.588 -6.188 1.00 0.41 H new ATOM 1904 N VAL A 118 3.490 -9.914 -5.255 1.00 0.25 N ATOM 1905 CA VAL A 118 3.360 -10.730 -4.053 1.00 0.28 C ATOM 1906 C VAL A 118 3.664 -9.942 -2.779 1.00 0.26 C ATOM 1907 O VAL A 118 4.791 -9.509 -2.545 1.00 0.29 O ATOM 1908 CB VAL A 118 4.256 -11.989 -4.128 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.686 -11.627 -4.495 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.213 -12.761 -2.817 1.00 0.71 C ATOM 0 H VAL A 118 4.182 -10.261 -5.919 1.00 0.25 H new ATOM 0 HA VAL A 118 2.317 -11.044 -4.006 1.00 0.28 H new ATOM 0 HB VAL A 118 3.863 -12.631 -4.916 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.291 -12.533 -4.540 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.698 -11.134 -5.467 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.096 -10.954 -3.742 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.850 -13.642 -2.893 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.569 -12.124 -2.008 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.189 -13.071 -2.611 1.00 0.71 H new ATOM 1920 N VAL A 119 2.632 -9.758 -1.968 1.00 0.23 N ATOM 1921 CA VAL A 119 2.757 -9.068 -0.692 1.00 0.22 C ATOM 1922 C VAL A 119 2.449 -10.024 0.460 1.00 0.23 C ATOM 1923 O VAL A 119 2.823 -9.789 1.610 1.00 0.23 O ATOM 1924 CB VAL A 119 1.799 -7.859 -0.634 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.357 -8.308 -0.779 1.00 0.21 C ATOM 1926 CG2 VAL A 119 1.989 -7.075 0.654 1.00 0.22 C ATOM 0 H VAL A 119 1.687 -10.082 -2.175 1.00 0.23 H new ATOM 0 HA VAL A 119 3.782 -8.711 -0.596 1.00 0.22 H new ATOM 0 HB VAL A 119 2.038 -7.201 -1.469 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.301 -7.440 -0.735 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.228 -8.813 -1.736 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.106 -8.994 0.030 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.302 -6.229 0.670 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.787 -7.722 1.507 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.015 -6.711 0.710 1.00 0.22 H new ATOM 1936 N GLN A 120 1.786 -11.120 0.126 1.00 0.27 N ATOM 1937 CA GLN A 120 1.321 -12.080 1.116 1.00 0.33 C ATOM 1938 C GLN A 120 2.468 -12.739 1.873 1.00 0.45 C ATOM 1939 O GLN A 120 2.334 -13.059 3.053 1.00 1.35 O ATOM 1940 CB GLN A 120 0.468 -13.155 0.440 1.00 0.32 C ATOM 1941 CG GLN A 120 1.101 -13.752 -0.807 1.00 0.37 C ATOM 1942 CD GLN A 120 0.228 -14.806 -1.457 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.621 -14.495 -2.287 1.00 1.23 O ATOM 1944 NE2 GLN A 120 0.441 -16.059 -1.098 1.00 1.21 N ATOM 0 H GLN A 120 1.555 -11.369 -0.836 1.00 0.27 H new ATOM 0 HA GLN A 120 0.724 -11.528 1.842 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.275 -13.954 1.155 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.498 -12.725 0.175 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.299 -12.957 -1.525 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.063 -14.193 -0.546 1.00 0.37 H new ATOM 0 HE21 GLN A 120 1.157 -16.276 -0.404 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -0.110 -16.810 -1.514 1.00 1.21 H new ATOM 1953 N ASP A 121 3.591 -12.928 1.201 1.00 0.72 N ATOM 1954 CA ASP A 121 4.691 -13.690 1.770 1.00 0.76 C ATOM 1955 C ASP A 121 5.953 -12.835 1.857 1.00 0.65 C ATOM 1956 O ASP A 121 7.065 -13.309 1.626 1.00 0.96 O ATOM 1957 CB ASP A 121 4.932 -14.946 0.920 1.00 0.96 C ATOM 1958 CG ASP A 121 5.857 -15.951 1.583 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.970 -16.180 1.061 1.00 1.55 O ATOM 1960 OD2 ASP A 121 5.488 -16.497 2.643 1.00 2.35 O ATOM 0 H ASP A 121 3.765 -12.566 0.264 1.00 0.72 H new ATOM 0 HA ASP A 121 4.432 -13.994 2.784 1.00 0.76 H new ATOM 0 HB2 ASP A 121 3.975 -15.425 0.713 1.00 0.96 H new ATOM 0 HB3 ASP A 121 5.356 -14.651 -0.040 1.00 0.96 H new ATOM 1965 N ILE A 122 5.781 -11.564 2.188 1.00 0.37 N ATOM 1966 CA ILE A 122 6.920 -10.670 2.328 1.00 0.29 C ATOM 1967 C ILE A 122 7.439 -10.679 3.760 1.00 0.24 C ATOM 1968 O ILE A 122 6.812 -11.231 4.662 1.00 0.32 O ATOM 1969 CB ILE A 122 6.588 -9.213 1.931 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.562 -8.597 2.893 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.079 -9.165 0.499 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.378 -7.101 2.714 1.00 0.31 C ATOM 0 H ILE A 122 4.874 -11.132 2.363 1.00 0.37 H new ATOM 0 HA ILE A 122 7.683 -11.044 1.646 1.00 0.29 H new ATOM 0 HB ILE A 122 7.502 -8.622 1.999 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.601 -9.092 2.751 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.874 -8.795 3.918 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.848 -8.134 0.229 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.845 -9.553 -0.173 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.179 -9.773 0.412 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.639 -6.737 3.428 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.328 -6.594 2.886 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.035 -6.895 1.700 1.00 0.31 H new ATOM 1984 N ASP A 123 8.599 -10.083 3.944 1.00 0.23 N ATOM 1985 CA ASP A 123 9.207 -9.923 5.254 1.00 0.25 C ATOM 1986 C ASP A 123 8.993 -8.509 5.748 1.00 0.25 C ATOM 1987 O ASP A 123 8.728 -8.271 6.925 1.00 0.29 O ATOM 1988 CB ASP A 123 10.707 -10.209 5.180 1.00 0.26 C ATOM 1989 CG ASP A 123 11.025 -11.692 5.179 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.550 -12.403 4.271 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.758 -12.152 6.083 1.00 0.50 O ATOM 0 H ASP A 123 9.154 -9.691 3.183 1.00 0.23 H new ATOM 0 HA ASP A 123 8.741 -10.628 5.943 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.114 -9.754 4.277 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.204 -9.736 6.027 1.00 0.26 H new ATOM 1996 N ALA A 124 9.124 -7.569 4.835 1.00 0.21 N ATOM 1997 CA ALA A 124 8.943 -6.170 5.151 1.00 0.21 C ATOM 1998 C ALA A 124 8.579 -5.393 3.897 1.00 0.19 C ATOM 1999 O ALA A 124 8.825 -5.850 2.784 1.00 0.19 O ATOM 2000 CB ALA A 124 10.210 -5.618 5.785 1.00 0.22 C ATOM 0 H ALA A 124 9.357 -7.753 3.859 1.00 0.21 H new ATOM 0 HA ALA A 124 8.125 -6.064 5.864 1.00 0.21 H new ATOM 0 HB1 ALA A 124 10.069 -4.563 6.021 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.429 -6.169 6.700 1.00 0.22 H new ATOM 0 HB3 ALA A 124 11.042 -5.726 5.089 1.00 0.22 H new ATOM 2006 N MET A 125 7.974 -4.237 4.083 1.00 0.19 N ATOM 2007 CA MET A 125 7.616 -3.365 2.973 1.00 0.16 C ATOM 2008 C MET A 125 7.930 -1.919 3.337 1.00 0.16 C ATOM 2009 O MET A 125 7.914 -1.557 4.512 1.00 0.18 O ATOM 2010 CB MET A 125 6.136 -3.549 2.608 1.00 0.24 C ATOM 2011 CG MET A 125 5.619 -2.590 1.541 1.00 0.31 C ATOM 2012 SD MET A 125 5.168 -0.965 2.174 1.00 1.16 S ATOM 2013 CE MET A 125 4.674 -0.167 0.652 1.00 0.73 C ATOM 0 H MET A 125 7.716 -3.874 5.001 1.00 0.19 H new ATOM 0 HA MET A 125 8.205 -3.630 2.095 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.986 -4.572 2.262 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.536 -3.426 3.509 1.00 0.24 H new ATOM 0 HG2 MET A 125 6.383 -2.470 0.773 1.00 0.31 H new ATOM 0 HG3 MET A 125 4.749 -3.035 1.058 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.921 0.591 0.867 1.00 0.73 H new ATOM 0 HE2 MET A 125 5.542 0.304 0.190 1.00 0.73 H new ATOM 0 HE3 MET A 125 4.258 -0.909 -0.029 1.00 0.73 H new ATOM 2023 N SER A 126 8.261 -1.109 2.342 1.00 0.16 N ATOM 2024 CA SER A 126 8.584 0.299 2.573 1.00 0.18 C ATOM 2025 C SER A 126 8.322 1.135 1.326 1.00 0.22 C ATOM 2026 O SER A 126 8.219 0.603 0.215 1.00 0.29 O ATOM 2027 CB SER A 126 10.044 0.450 3.001 1.00 0.24 C ATOM 2028 OG SER A 126 10.300 -0.260 4.201 1.00 1.22 O ATOM 0 H SER A 126 8.314 -1.399 1.365 1.00 0.16 H new ATOM 0 HA SER A 126 7.938 0.661 3.373 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.698 0.082 2.210 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.278 1.505 3.142 1.00 0.24 H new ATOM 0 HG SER A 126 10.652 -1.149 3.986 1.00 1.22 H new ATOM 2034 N VAL A 127 8.208 2.443 1.523 1.00 0.21 N ATOM 2035 CA VAL A 127 7.942 3.371 0.433 1.00 0.23 C ATOM 2036 C VAL A 127 9.017 4.448 0.386 1.00 0.22 C ATOM 2037 O VAL A 127 9.085 5.297 1.274 1.00 0.19 O ATOM 2038 CB VAL A 127 6.575 4.070 0.605 1.00 0.23 C ATOM 2039 CG1 VAL A 127 6.161 4.771 -0.677 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.507 3.089 1.056 1.00 0.26 C ATOM 0 H VAL A 127 8.297 2.887 2.437 1.00 0.21 H new ATOM 0 HA VAL A 127 7.938 2.790 -0.489 1.00 0.23 H new ATOM 0 HB VAL A 127 6.683 4.824 1.385 1.00 0.23 H new ATOM 0 HG11 VAL A 127 5.196 5.256 -0.531 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.908 5.521 -0.939 1.00 0.27 H new ATOM 0 HG13 VAL A 127 6.082 4.040 -1.482 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.557 3.611 1.168 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.401 2.299 0.312 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.795 2.651 2.012 1.00 0.26 H new ATOM 2050 N LEU A 128 9.862 4.415 -0.635 1.00 0.28 N ATOM 2051 CA LEU A 128 10.865 5.458 -0.799 1.00 0.32 C ATOM 2052 C LEU A 128 10.444 6.368 -1.943 1.00 0.33 C ATOM 2053 O LEU A 128 9.962 5.893 -2.971 1.00 0.38 O ATOM 2054 CB LEU A 128 12.267 4.908 -1.112 1.00 0.43 C ATOM 2055 CG LEU A 128 12.836 3.792 -0.217 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.273 3.816 1.202 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.621 2.439 -0.867 1.00 0.42 C ATOM 0 H LEU A 128 9.874 3.690 -1.352 1.00 0.28 H new ATOM 0 HA LEU A 128 10.926 5.993 0.149 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.256 4.537 -2.137 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.965 5.745 -1.083 1.00 0.43 H new ATOM 0 HG LEU A 128 13.906 3.976 -0.119 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.713 3.005 1.782 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.512 4.770 1.672 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.191 3.690 1.166 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.028 1.658 -0.225 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.554 2.271 -1.012 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.127 2.415 -1.832 1.00 0.42 H new ATOM 2069 N PRO A 129 10.600 7.683 -1.789 1.00 0.35 N ATOM 2070 CA PRO A 129 10.278 8.619 -2.855 1.00 0.40 C ATOM 2071 C PRO A 129 11.395 8.735 -3.886 1.00 0.56 C ATOM 2072 O PRO A 129 12.502 9.149 -3.556 1.00 0.91 O ATOM 2073 CB PRO A 129 10.105 9.935 -2.114 1.00 0.47 C ATOM 2074 CG PRO A 129 10.998 9.824 -0.922 1.00 0.52 C ATOM 2075 CD PRO A 129 11.071 8.360 -0.569 1.00 0.41 C ATOM 0 HA PRO A 129 9.401 8.308 -3.423 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.386 10.781 -2.741 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.067 10.088 -1.818 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.990 10.218 -1.144 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.603 10.404 -0.088 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.087 8.060 -0.312 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.442 8.123 0.289 1.00 0.41 H new ATOM 2083 N LYS A 130 11.049 8.409 -5.133 1.00 0.43 N ATOM 2084 CA LYS A 130 11.939 8.485 -6.307 1.00 0.53 C ATOM 2085 C LYS A 130 13.325 7.865 -6.091 1.00 0.47 C ATOM 2086 O LYS A 130 13.619 6.821 -6.670 1.00 0.81 O ATOM 2087 CB LYS A 130 12.033 9.923 -6.799 1.00 0.74 C ATOM 2088 CG LYS A 130 10.692 10.517 -7.231 1.00 0.83 C ATOM 2089 CD LYS A 130 9.992 9.691 -8.315 1.00 1.76 C ATOM 2090 CE LYS A 130 9.131 8.569 -7.730 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.308 7.891 -8.765 1.00 3.29 N ATOM 0 H LYS A 130 10.115 8.074 -5.367 1.00 0.43 H new ATOM 0 HA LYS A 130 11.482 7.869 -7.081 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.455 10.541 -6.007 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.726 9.965 -7.639 1.00 0.74 H new ATOM 0 HG2 LYS A 130 10.038 10.594 -6.362 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.852 11.530 -7.600 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.366 10.347 -8.920 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.741 9.261 -8.980 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.775 7.836 -7.244 1.00 2.10 H new ATOM 0 HE3 LYS A 130 8.477 8.979 -6.961 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.742 7.139 -8.321 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 7.674 8.583 -9.212 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.931 7.475 -9.487 1.00 3.29 H new ATOM 2105 N GLY A 131 14.181 8.511 -5.305 1.00 0.43 N ATOM 2106 CA GLY A 131 15.453 7.915 -4.936 1.00 0.39 C ATOM 2107 C GLY A 131 15.254 6.681 -4.073 1.00 0.33 C ATOM 2108 O GLY A 131 15.450 6.715 -2.858 1.00 0.44 O ATOM 0 H GLY A 131 14.016 9.439 -4.916 1.00 0.43 H new ATOM 0 HA2 GLY A 131 16.006 7.647 -5.836 1.00 0.39 H new ATOM 0 HA3 GLY A 131 16.056 8.645 -4.397 1.00 0.39 H new ATOM 2112 N SER A 132 14.859 5.595 -4.711 1.00 0.31 N ATOM 2113 CA SER A 132 14.505 4.362 -4.034 1.00 0.36 C ATOM 2114 C SER A 132 15.729 3.492 -3.780 1.00 0.39 C ATOM 2115 O SER A 132 15.625 2.429 -3.164 1.00 0.44 O ATOM 2116 CB SER A 132 13.463 3.606 -4.856 1.00 0.49 C ATOM 2117 OG SER A 132 13.906 3.408 -6.188 1.00 1.23 O ATOM 0 H SER A 132 14.774 5.544 -5.726 1.00 0.31 H new ATOM 0 HA SER A 132 14.081 4.613 -3.062 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.259 2.642 -4.391 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.526 4.163 -4.861 1.00 0.49 H new ATOM 0 HG SER A 132 13.795 2.466 -6.433 1.00 1.23 H new ATOM 2123 N SER A 133 16.883 3.946 -4.269 1.00 0.40 N ATOM 2124 CA SER A 133 18.141 3.208 -4.146 1.00 0.48 C ATOM 2125 C SER A 133 18.498 2.889 -2.689 1.00 0.45 C ATOM 2126 O SER A 133 19.446 2.151 -2.427 1.00 0.51 O ATOM 2127 CB SER A 133 19.267 4.000 -4.810 1.00 0.58 C ATOM 2128 OG SER A 133 19.220 5.366 -4.429 1.00 1.30 O ATOM 0 H SER A 133 16.973 4.835 -4.761 1.00 0.40 H new ATOM 0 HA SER A 133 18.012 2.252 -4.653 1.00 0.48 H new ATOM 0 HB2 SER A 133 20.230 3.574 -4.530 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.184 3.918 -5.894 1.00 0.58 H new ATOM 0 HG SER A 133 19.951 5.852 -4.865 1.00 1.30 H new ATOM 2134 N SER A 134 17.741 3.451 -1.752 1.00 0.40 N ATOM 2135 CA SER A 134 17.842 3.079 -0.350 1.00 0.39 C ATOM 2136 C SER A 134 17.658 1.570 -0.191 1.00 0.34 C ATOM 2137 O SER A 134 18.438 0.899 0.485 1.00 0.39 O ATOM 2138 CB SER A 134 16.765 3.819 0.451 1.00 0.39 C ATOM 2139 OG SER A 134 16.755 5.203 0.131 1.00 0.44 O ATOM 0 H SER A 134 17.046 4.172 -1.944 1.00 0.40 H new ATOM 0 HA SER A 134 18.829 3.354 0.023 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.787 3.386 0.240 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.947 3.690 1.518 1.00 0.39 H new ATOM 0 HG SER A 134 15.847 5.556 0.236 1.00 0.44 H new ATOM 2145 N LEU A 135 16.627 1.046 -0.840 1.00 0.28 N ATOM 2146 CA LEU A 135 16.273 -0.359 -0.720 1.00 0.26 C ATOM 2147 C LEU A 135 16.381 -1.087 -2.058 1.00 0.28 C ATOM 2148 O LEU A 135 15.771 -2.133 -2.252 1.00 0.37 O ATOM 2149 CB LEU A 135 14.853 -0.462 -0.162 1.00 0.24 C ATOM 2150 CG LEU A 135 14.676 0.123 1.244 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.228 0.048 1.685 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.560 -0.607 2.225 1.00 0.29 C ATOM 0 H LEU A 135 16.017 1.580 -1.460 1.00 0.28 H new ATOM 0 HA LEU A 135 16.976 -0.842 -0.041 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.171 0.049 -0.842 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.559 -1.511 -0.144 1.00 0.24 H new ATOM 0 HG LEU A 135 14.968 1.173 1.216 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.130 0.469 2.685 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.606 0.613 0.991 1.00 0.25 H new ATOM 0 HD13 LEU A 135 12.905 -0.993 1.697 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.426 -0.183 3.220 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.291 -1.663 2.241 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.602 -0.503 1.923 1.00 0.29 H new ATOM 2164 N LYS A 136 17.159 -0.545 -2.982 1.00 0.30 N ATOM 2165 CA LYS A 136 17.274 -1.141 -4.304 1.00 0.35 C ATOM 2166 C LYS A 136 18.628 -1.822 -4.479 1.00 0.37 C ATOM 2167 O LYS A 136 19.552 -1.246 -5.056 1.00 0.42 O ATOM 2168 CB LYS A 136 17.088 -0.073 -5.380 1.00 0.40 C ATOM 2169 CG LYS A 136 16.935 -0.642 -6.779 1.00 0.46 C ATOM 2170 CD LYS A 136 16.807 0.458 -7.822 1.00 0.57 C ATOM 2171 CE LYS A 136 18.094 1.252 -7.970 1.00 0.98 C ATOM 2172 NZ LYS A 136 17.986 2.285 -9.034 1.00 1.66 N ATOM 0 H LYS A 136 17.715 0.299 -2.843 1.00 0.30 H new ATOM 0 HA LYS A 136 16.493 -1.895 -4.406 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.207 0.523 -5.141 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.944 0.602 -5.363 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.796 -1.268 -7.014 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.055 -1.284 -6.817 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.540 0.018 -8.783 1.00 0.57 H new ATOM 0 HD3 LYS A 136 15.996 1.130 -7.543 1.00 0.57 H new ATOM 0 HE2 LYS A 136 18.337 1.731 -7.021 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.915 0.574 -8.204 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 18.884 2.806 -9.105 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.779 1.826 -9.944 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 17.219 2.947 -8.798 1.00 1.66 H new ATOM 2186 N VAL A 137 18.746 -3.039 -3.970 1.00 0.37 N ATOM 2187 CA VAL A 137 19.984 -3.792 -4.083 1.00 0.42 C ATOM 2188 C VAL A 137 19.675 -5.266 -4.368 1.00 0.46 C ATOM 2189 O VAL A 137 18.535 -5.693 -4.197 1.00 0.51 O ATOM 2190 CB VAL A 137 20.839 -3.615 -2.797 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.003 -3.891 -1.568 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.087 -4.486 -2.797 1.00 0.51 C ATOM 0 H VAL A 137 17.999 -3.526 -3.475 1.00 0.37 H new ATOM 0 HA VAL A 137 20.569 -3.409 -4.919 1.00 0.42 H new ATOM 0 HB VAL A 137 21.177 -2.579 -2.780 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.615 -3.763 -0.675 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.164 -3.196 -1.535 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.626 -4.913 -1.606 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.646 -4.321 -1.876 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.799 -5.535 -2.864 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.712 -4.226 -3.651 1.00 0.51 H new ATOM 2202 N LYS A 138 20.654 -6.019 -4.852 1.00 0.50 N ATOM 2203 CA LYS A 138 20.465 -7.438 -5.149 1.00 0.57 C ATOM 2204 C LYS A 138 19.858 -8.195 -3.962 1.00 0.47 C ATOM 2205 O LYS A 138 18.892 -8.938 -4.122 1.00 0.53 O ATOM 2206 CB LYS A 138 21.791 -8.062 -5.583 1.00 0.69 C ATOM 2207 CG LYS A 138 22.940 -7.668 -4.687 1.00 1.22 C ATOM 2208 CD LYS A 138 24.266 -7.637 -5.435 1.00 1.34 C ATOM 2209 CE LYS A 138 24.293 -6.525 -6.474 1.00 1.59 C ATOM 2210 NZ LYS A 138 25.618 -6.399 -7.133 1.00 2.06 N ATOM 0 H LYS A 138 21.592 -5.671 -5.049 1.00 0.50 H new ATOM 0 HA LYS A 138 19.753 -7.519 -5.970 1.00 0.57 H new ATOM 0 HB2 LYS A 138 21.693 -9.148 -5.586 1.00 0.69 H new ATOM 0 HB3 LYS A 138 22.013 -7.759 -6.606 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.744 -6.686 -4.257 1.00 1.22 H new ATOM 0 HG3 LYS A 138 23.009 -8.371 -3.857 1.00 1.22 H new ATOM 0 HD2 LYS A 138 25.082 -7.494 -4.726 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.432 -8.597 -5.923 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.531 -6.718 -7.229 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.036 -5.579 -5.997 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 25.586 -5.629 -7.832 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.343 -6.188 -6.418 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 25.854 -7.292 -7.612 1.00 2.06 H new ATOM 2224 N THR A 139 20.398 -7.969 -2.774 1.00 0.37 N ATOM 2225 CA THR A 139 19.893 -8.614 -1.570 1.00 0.29 C ATOM 2226 C THR A 139 19.867 -7.631 -0.408 1.00 0.25 C ATOM 2227 O THR A 139 20.661 -6.692 -0.365 1.00 0.28 O ATOM 2228 CB THR A 139 20.725 -9.855 -1.190 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.020 -9.793 -1.798 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.015 -11.129 -1.615 1.00 0.39 C ATOM 0 H THR A 139 21.188 -7.343 -2.617 1.00 0.37 H new ATOM 0 HA THR A 139 18.877 -8.946 -1.784 1.00 0.29 H new ATOM 0 HB THR A 139 20.842 -9.866 -0.106 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.538 -10.586 -1.547 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.620 -11.992 -1.337 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.047 -11.189 -1.118 1.00 0.39 H new ATOM 0 HG23 THR A 139 19.869 -11.121 -2.695 1.00 0.39 H new ATOM 2238 N MET A 140 18.955 -7.844 0.527 1.00 0.26 N ATOM 2239 CA MET A 140 18.735 -6.889 1.598 1.00 0.32 C ATOM 2240 C MET A 140 18.326 -7.557 2.906 1.00 0.34 C ATOM 2241 O MET A 140 17.798 -8.669 2.918 1.00 0.38 O ATOM 2242 CB MET A 140 17.658 -5.901 1.189 1.00 0.38 C ATOM 2243 CG MET A 140 18.199 -4.532 0.872 1.00 0.60 C ATOM 2244 SD MET A 140 17.069 -3.235 1.339 1.00 0.78 S ATOM 2245 CE MET A 140 17.042 -3.516 3.100 1.00 0.40 C ATOM 0 H MET A 140 18.356 -8.669 0.565 1.00 0.26 H new ATOM 0 HA MET A 140 19.683 -6.379 1.769 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.132 -6.288 0.316 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.926 -5.818 1.992 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.147 -4.389 1.390 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.406 -4.464 -0.196 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.005 -2.559 3.621 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.163 -4.105 3.361 1.00 0.40 H new ATOM 0 HE3 MET A 140 17.941 -4.056 3.396 1.00 0.40 H new ATOM 2255 N ALA A 141 18.583 -6.852 4.004 1.00 0.34 N ATOM 2256 CA ALA A 141 18.180 -7.291 5.335 1.00 0.38 C ATOM 2257 C ALA A 141 16.783 -6.781 5.673 1.00 0.34 C ATOM 2258 O ALA A 141 16.440 -5.636 5.379 1.00 0.36 O ATOM 2259 CB ALA A 141 19.176 -6.784 6.367 1.00 0.44 C ATOM 0 H ALA A 141 19.077 -5.960 3.995 1.00 0.34 H new ATOM 0 HA ALA A 141 18.163 -8.381 5.349 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.871 -7.114 7.360 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.167 -7.179 6.141 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.205 -5.695 6.340 1.00 0.44 H new ATOM 2265 N LYS A 142 15.993 -7.638 6.311 1.00 0.32 N ATOM 2266 CA LYS A 142 14.647 -7.286 6.755 1.00 0.30 C ATOM 2267 C LYS A 142 14.701 -6.202 7.826 1.00 0.26 C ATOM 2268 O LYS A 142 13.821 -5.346 7.908 1.00 0.24 O ATOM 2269 CB LYS A 142 13.938 -8.534 7.300 1.00 0.33 C ATOM 2270 CG LYS A 142 12.606 -8.246 7.976 1.00 0.32 C ATOM 2271 CD LYS A 142 11.963 -9.521 8.506 1.00 0.38 C ATOM 2272 CE LYS A 142 10.681 -9.231 9.261 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.935 -8.538 10.549 1.00 1.11 N ATOM 0 H LYS A 142 16.266 -8.595 6.535 1.00 0.32 H new ATOM 0 HA LYS A 142 14.087 -6.898 5.904 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.773 -9.233 6.480 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.596 -9.030 8.014 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.757 -7.545 8.797 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.933 -7.765 7.266 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.752 -10.194 7.675 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.664 -10.036 9.163 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.028 -8.616 8.642 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.153 -10.166 9.451 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.067 -8.540 11.122 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.691 -9.031 11.065 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.225 -7.557 10.364 1.00 1.11 H new ATOM 2287 N ASP A 143 15.760 -6.238 8.619 1.00 0.29 N ATOM 2288 CA ASP A 143 15.948 -5.294 9.713 1.00 0.31 C ATOM 2289 C ASP A 143 16.302 -3.920 9.165 1.00 0.28 C ATOM 2290 O ASP A 143 15.874 -2.888 9.685 1.00 0.29 O ATOM 2291 CB ASP A 143 17.057 -5.794 10.639 1.00 0.37 C ATOM 2292 CG ASP A 143 17.346 -4.842 11.783 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.607 -4.868 12.787 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.315 -4.062 11.684 1.00 0.52 O ATOM 0 H ASP A 143 16.513 -6.920 8.524 1.00 0.29 H new ATOM 0 HA ASP A 143 15.020 -5.214 10.279 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.774 -6.765 11.044 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.968 -5.944 10.059 1.00 0.37 H new ATOM 2299 N MET A 144 17.077 -3.929 8.098 1.00 0.29 N ATOM 2300 CA MET A 144 17.494 -2.708 7.431 1.00 0.30 C ATOM 2301 C MET A 144 16.345 -2.111 6.637 1.00 0.24 C ATOM 2302 O MET A 144 16.151 -0.899 6.636 1.00 0.25 O ATOM 2303 CB MET A 144 18.661 -3.009 6.496 1.00 0.35 C ATOM 2304 CG MET A 144 18.963 -1.889 5.511 1.00 0.36 C ATOM 2305 SD MET A 144 20.114 -2.400 4.219 1.00 0.48 S ATOM 2306 CE MET A 144 20.028 -0.990 3.118 1.00 0.43 C ATOM 0 H MET A 144 17.436 -4.782 7.668 1.00 0.29 H new ATOM 0 HA MET A 144 17.805 -1.987 8.187 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.552 -3.205 7.093 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.443 -3.921 5.940 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.033 -1.552 5.053 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.380 -1.038 6.050 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.833 -1.051 2.385 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.067 -0.989 2.603 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.131 -0.071 3.695 1.00 0.43 H new ATOM 2316 N PHE A 145 15.586 -2.978 5.976 1.00 0.21 N ATOM 2317 CA PHE A 145 14.516 -2.556 5.078 1.00 0.17 C ATOM 2318 C PHE A 145 13.578 -1.572 5.761 1.00 0.15 C ATOM 2319 O PHE A 145 13.354 -0.466 5.270 1.00 0.16 O ATOM 2320 CB PHE A 145 13.736 -3.778 4.600 1.00 0.19 C ATOM 2321 CG PHE A 145 12.938 -3.520 3.359 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.595 -3.217 3.432 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.542 -3.577 2.115 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.868 -2.977 2.286 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.818 -3.337 0.970 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.479 -3.037 1.055 1.00 0.29 C ATOM 0 H PHE A 145 15.694 -3.990 6.047 1.00 0.21 H new ATOM 0 HA PHE A 145 14.965 -2.052 4.222 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.433 -4.595 4.413 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.065 -4.106 5.394 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.109 -3.167 4.395 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.593 -3.813 2.042 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.816 -2.741 2.355 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.301 -3.384 0.005 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.908 -2.849 0.158 1.00 0.29 H new ATOM 2336 N VAL A 146 13.059 -1.972 6.912 1.00 0.15 N ATOM 2337 CA VAL A 146 12.143 -1.135 7.659 1.00 0.14 C ATOM 2338 C VAL A 146 12.815 0.154 8.138 1.00 0.15 C ATOM 2339 O VAL A 146 12.242 1.233 8.027 1.00 0.16 O ATOM 2340 CB VAL A 146 11.514 -1.892 8.851 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.521 -2.812 9.520 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.946 -0.912 9.858 1.00 0.17 C ATOM 0 H VAL A 146 13.259 -2.873 7.346 1.00 0.15 H new ATOM 0 HA VAL A 146 11.341 -0.863 6.973 1.00 0.14 H new ATOM 0 HB VAL A 146 10.705 -2.510 8.462 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.045 -3.328 10.354 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.881 -3.545 8.797 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.361 -2.224 9.890 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.507 -1.460 10.691 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.743 -0.267 10.228 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.179 -0.303 9.380 1.00 0.17 H new ATOM 2352 N SER A 147 14.030 0.054 8.643 1.00 0.18 N ATOM 2353 CA SER A 147 14.726 1.228 9.144 1.00 0.21 C ATOM 2354 C SER A 147 15.000 2.221 8.009 1.00 0.21 C ATOM 2355 O SER A 147 14.830 3.433 8.168 1.00 0.24 O ATOM 2356 CB SER A 147 16.021 0.811 9.837 1.00 0.25 C ATOM 2357 OG SER A 147 16.703 1.932 10.373 1.00 0.85 O ATOM 0 H SER A 147 14.553 -0.818 8.718 1.00 0.18 H new ATOM 0 HA SER A 147 14.091 1.729 9.875 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.797 0.103 10.635 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.667 0.296 9.126 1.00 0.25 H new ATOM 0 HG SER A 147 17.527 1.634 10.812 1.00 0.85 H new ATOM 2363 N ARG A 148 15.408 1.693 6.861 1.00 0.20 N ATOM 2364 CA ARG A 148 15.641 2.497 5.668 1.00 0.21 C ATOM 2365 C ARG A 148 14.359 3.183 5.208 1.00 0.19 C ATOM 2366 O ARG A 148 14.364 4.361 4.866 1.00 0.27 O ATOM 2367 CB ARG A 148 16.156 1.604 4.546 1.00 0.23 C ATOM 2368 CG ARG A 148 17.629 1.251 4.612 1.00 0.29 C ATOM 2369 CD ARG A 148 18.525 2.422 4.230 1.00 0.43 C ATOM 2370 NE ARG A 148 18.561 3.471 5.251 1.00 1.22 N ATOM 2371 CZ ARG A 148 19.064 4.691 5.049 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.564 5.021 3.863 1.00 1.19 N ATOM 2373 NH2 ARG A 148 19.069 5.576 6.038 1.00 2.48 N ATOM 0 H ARG A 148 15.586 0.697 6.731 1.00 0.20 H new ATOM 0 HA ARG A 148 16.378 3.262 5.912 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.579 0.679 4.548 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.962 2.099 3.594 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.876 0.922 5.621 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.829 0.412 3.946 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.537 2.057 4.056 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.175 2.849 3.290 1.00 0.43 H new ATOM 0 HE ARG A 148 18.179 3.257 6.172 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.564 4.341 3.103 1.00 1.19 H new ATOM 0 HH12 ARG A 148 19.947 5.954 3.713 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.689 5.323 6.950 1.00 2.48 H new ATOM 0 HH22 ARG A 148 19.453 6.509 5.886 1.00 2.48 H new ATOM 2387 N GLY A 149 13.266 2.437 5.190 1.00 0.14 N ATOM 2388 CA GLY A 149 12.003 2.995 4.766 1.00 0.13 C ATOM 2389 C GLY A 149 11.464 3.997 5.760 1.00 0.15 C ATOM 2390 O GLY A 149 10.938 5.036 5.377 1.00 0.17 O ATOM 0 H GLY A 149 13.232 1.454 5.462 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.127 3.477 3.796 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.279 2.192 4.632 1.00 0.13 H new ATOM 2394 N ASN A 150 11.608 3.684 7.041 1.00 0.17 N ATOM 2395 CA ASN A 150 11.132 4.550 8.110 1.00 0.22 C ATOM 2396 C ASN A 150 11.769 5.939 8.028 1.00 0.23 C ATOM 2397 O ASN A 150 11.097 6.947 8.239 1.00 0.26 O ATOM 2398 CB ASN A 150 11.430 3.923 9.476 1.00 0.32 C ATOM 2399 CG ASN A 150 10.906 4.745 10.642 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.519 4.783 11.705 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.759 5.386 10.466 1.00 0.93 N ATOM 0 H ASN A 150 12.056 2.827 7.367 1.00 0.17 H new ATOM 0 HA ASN A 150 10.054 4.661 7.991 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.988 2.927 9.515 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.507 3.798 9.584 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.358 5.933 11.228 1.00 0.93 H new ATOM 0 HD22 ASN A 150 9.277 5.332 9.569 1.00 0.93 H new ATOM 2408 N THR A 151 13.063 5.996 7.717 1.00 0.23 N ATOM 2409 CA THR A 151 13.752 7.278 7.606 1.00 0.27 C ATOM 2410 C THR A 151 13.331 8.004 6.327 1.00 0.27 C ATOM 2411 O THR A 151 13.472 9.224 6.218 1.00 0.33 O ATOM 2412 CB THR A 151 15.294 7.128 7.653 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.910 8.418 7.776 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.832 6.437 6.410 1.00 0.27 C ATOM 0 H THR A 151 13.648 5.180 7.540 1.00 0.23 H new ATOM 0 HA THR A 151 13.458 7.872 8.472 1.00 0.27 H new ATOM 0 HB THR A 151 15.535 6.512 8.520 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.884 8.314 7.807 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.916 6.351 6.482 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.394 5.442 6.328 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.572 7.021 5.527 1.00 0.27 H new ATOM 2422 N GLU A 152 12.800 7.252 5.370 1.00 0.25 N ATOM 2423 CA GLU A 152 12.242 7.835 4.157 1.00 0.30 C ATOM 2424 C GLU A 152 10.771 8.164 4.377 1.00 0.28 C ATOM 2425 O GLU A 152 10.110 8.773 3.535 1.00 0.30 O ATOM 2426 CB GLU A 152 12.426 6.890 2.979 1.00 0.34 C ATOM 2427 CG GLU A 152 13.888 6.637 2.653 1.00 0.52 C ATOM 2428 CD GLU A 152 14.575 7.832 2.028 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.253 7.674 0.987 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.423 8.949 2.565 1.00 0.98 O ATOM 0 H GLU A 152 12.744 6.234 5.412 1.00 0.25 H new ATOM 0 HA GLU A 152 12.772 8.759 3.924 1.00 0.30 H new ATOM 0 HB2 GLU A 152 11.938 5.941 3.200 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.930 7.307 2.103 1.00 0.34 H new ATOM 0 HG2 GLU A 152 14.415 6.360 3.566 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.960 5.788 1.973 1.00 0.52 H new ATOM 2437 N GLY A 153 10.284 7.755 5.540 1.00 0.25 N ATOM 2438 CA GLY A 153 8.970 8.133 6.001 1.00 0.25 C ATOM 2439 C GLY A 153 7.946 7.013 5.977 1.00 0.21 C ATOM 2440 O GLY A 153 6.882 7.159 6.578 1.00 0.24 O ATOM 0 H GLY A 153 10.794 7.152 6.185 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.052 8.511 7.020 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.605 8.954 5.384 1.00 0.25 H new ATOM 2444 N ALA A 154 8.225 5.894 5.309 1.00 0.17 N ATOM 2445 CA ALA A 154 7.313 4.756 5.404 1.00 0.16 C ATOM 2446 C ALA A 154 8.022 3.413 5.410 1.00 0.14 C ATOM 2447 O ALA A 154 8.782 3.096 4.494 1.00 0.15 O ATOM 2448 CB ALA A 154 6.297 4.782 4.285 1.00 0.19 C ATOM 0 H ALA A 154 9.044 5.752 4.717 1.00 0.17 H new ATOM 0 HA ALA A 154 6.811 4.862 6.365 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.630 3.925 4.379 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.715 5.702 4.343 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.812 4.738 3.325 1.00 0.19 H new ATOM 2454 N SER A 155 7.745 2.619 6.429 1.00 0.15 N ATOM 2455 CA SER A 155 8.078 1.211 6.416 1.00 0.16 C ATOM 2456 C SER A 155 7.072 0.403 7.224 1.00 0.15 C ATOM 2457 O SER A 155 6.326 0.949 8.037 1.00 0.19 O ATOM 2458 CB SER A 155 9.466 1.001 6.973 1.00 0.23 C ATOM 2459 OG SER A 155 9.623 1.669 8.210 1.00 1.42 O ATOM 0 H SER A 155 7.285 2.933 7.284 1.00 0.15 H new ATOM 0 HA SER A 155 8.046 0.866 5.383 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.651 -0.065 7.105 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.206 1.367 6.262 1.00 0.23 H new ATOM 0 HG SER A 155 10.530 1.520 8.550 1.00 1.42 H new ATOM 2465 N ILE A 156 7.046 -0.896 6.978 1.00 0.14 N ATOM 2466 CA ILE A 156 6.175 -1.803 7.696 1.00 0.15 C ATOM 2467 C ILE A 156 6.759 -3.216 7.633 1.00 0.15 C ATOM 2468 O ILE A 156 6.956 -3.775 6.555 1.00 0.17 O ATOM 2469 CB ILE A 156 4.734 -1.745 7.134 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.806 -2.691 7.888 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.709 -2.044 5.642 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.348 -2.349 7.695 1.00 0.28 C ATOM 0 H ILE A 156 7.629 -1.349 6.274 1.00 0.14 H new ATOM 0 HA ILE A 156 6.114 -1.501 8.742 1.00 0.15 H new ATOM 0 HB ILE A 156 4.370 -0.728 7.280 1.00 0.18 H new ATOM 0 HG12 ILE A 156 3.983 -3.713 7.552 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.046 -2.659 8.951 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.683 -1.995 5.278 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.317 -1.309 5.113 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.110 -3.042 5.464 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.732 -3.054 8.253 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.161 -1.338 8.056 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.098 -2.408 6.636 1.00 0.28 H new ATOM 2484 N SER A 157 7.075 -3.776 8.783 1.00 0.16 N ATOM 2485 CA SER A 157 7.821 -5.024 8.835 1.00 0.19 C ATOM 2486 C SER A 157 7.056 -6.119 9.567 1.00 0.20 C ATOM 2487 O SER A 157 6.300 -5.845 10.501 1.00 0.34 O ATOM 2488 CB SER A 157 9.173 -4.777 9.505 1.00 0.34 C ATOM 2489 OG SER A 157 9.017 -4.012 10.687 1.00 1.44 O ATOM 0 H SER A 157 6.829 -3.390 9.695 1.00 0.16 H new ATOM 0 HA SER A 157 7.972 -5.372 7.813 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.645 -5.730 9.743 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.836 -4.256 8.814 1.00 0.34 H new ATOM 0 HG SER A 157 9.893 -3.867 11.101 1.00 1.44 H new ATOM 2495 N PHE A 158 7.230 -7.353 9.106 1.00 0.20 N ATOM 2496 CA PHE A 158 6.679 -8.518 9.788 1.00 0.32 C ATOM 2497 C PHE A 158 7.194 -8.587 11.222 1.00 0.74 C ATOM 2498 O PHE A 158 8.409 -8.800 11.410 1.00 1.33 O ATOM 2499 CB PHE A 158 7.045 -9.802 9.036 1.00 0.97 C ATOM 2500 CG PHE A 158 5.997 -10.262 8.056 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.459 -9.393 7.116 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.551 -11.572 8.080 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.495 -9.829 6.220 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.591 -12.011 7.190 1.00 1.81 C ATOM 2505 CZ PHE A 158 4.063 -11.139 6.260 1.00 1.81 C ATOM 2506 OXT PHE A 158 6.386 -8.425 12.158 1.00 1.62 O ATOM 0 H PHE A 158 7.752 -7.573 8.257 1.00 0.20 H new ATOM 0 HA PHE A 158 5.593 -8.422 9.809 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.982 -9.643 8.502 1.00 0.97 H new ATOM 0 HB3 PHE A 158 7.223 -10.596 9.761 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.795 -8.367 7.083 1.00 0.97 H new ATOM 0 HD2 PHE A 158 5.960 -12.260 8.805 1.00 1.42 H new ATOM 0 HE1 PHE A 158 4.083 -9.145 5.493 1.00 1.38 H new ATOM 0 HE2 PHE A 158 4.253 -13.036 7.222 1.00 1.81 H new ATOM 0 HZ PHE A 158 3.312 -11.482 5.564 1.00 1.81 H new