USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 983 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 105 SER OG : rot -22:sc= 0.95 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.674 K(o=1.6,f=-4.4!) USER MOD Set 2.1: A 99 LYS NZ :NH3+ 175:sc= 0.752 (180deg=-0.0322) USER MOD Set 2.2: A 100 CYS SG : rot 163:sc= 0.435 USER MOD Set 3.1: A 61 ASN : amide:sc= 1.75 K(o=2.9,f=-3.3!) USER MOD Set 3.2: A 84 THR OG1 : rot 19:sc= 1.12 USER MOD Set 4.1: A 15 MET CE :methyl -120:sc= -2.9! (180deg=-3.01!) USER MOD Set 4.2: A 49 SER OG : rot -39:sc= -1.19! USER MOD Set 5.1: A 28 SER OG : rot 38:sc= 0.231 USER MOD Set 5.2: A 70 HIS : no HD1:sc= -0.144 X(o=0.087,f=0.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 54:sc= 0.815 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 170:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 0.824 (180deg=0.358) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.23) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -132:sc= 0.106 USER MOD Single : A 25 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.3!) USER MOD Single : A 27 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-4.2!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0675 (180deg=-0.35) USER MOD Single : A 31 SER OG : rot 180:sc= -0.289 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.576 X(o=-0.58,f=-1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -105:sc= 1.66 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 18:sc= 0.0451 USER MOD Single : A 65 MET CE :methyl -179:sc= -0.667 (180deg=-0.673) USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= 1.13 (180deg=0.708) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 0.922 (180deg=0.244) USER MOD Single : A 93 THR OG1 : rot 139:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= -1.97! (180deg=-2.36!) USER MOD Single : A 106 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.7) USER MOD Single : A 110 ASN : amide:sc=-0.00404 X(o=-0.004,f=-0.025) USER MOD Single : A 118 THR OG1 : rot 81:sc= 0.314 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.32) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.207 K(o=-0.21,f=-4.8!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.373 -9.679 12.169 1.00 11.87 N ATOM 2 CA GLY A 1 -13.406 -9.039 10.833 1.00 11.28 C ATOM 3 C GLY A 1 -12.509 -9.750 9.847 1.00 10.17 C ATOM 4 O GLY A 1 -11.305 -9.871 10.066 1.00 9.93 O ATOM 0 H1 GLY A 1 -14.001 -9.162 12.817 1.00 11.87 H new ATOM 0 H2 GLY A 1 -13.693 -10.665 12.089 1.00 11.87 H new ATOM 0 H3 GLY A 1 -12.401 -9.659 12.539 1.00 11.87 H new ATOM 0 HA2 GLY A 1 -14.429 -9.036 10.457 1.00 11.28 H new ATOM 0 HA3 GLY A 1 -13.096 -7.998 10.921 1.00 11.28 H new ATOM 10 N ILE A 2 -13.098 -10.224 8.761 1.00 9.64 N ATOM 11 CA ILE A 2 -12.367 -10.981 7.757 1.00 8.69 C ATOM 12 C ILE A 2 -12.995 -10.742 6.388 1.00 7.70 C ATOM 13 O ILE A 2 -14.184 -10.430 6.298 1.00 7.79 O ATOM 14 CB ILE A 2 -12.379 -12.494 8.098 1.00 9.07 C ATOM 15 CG1 ILE A 2 -11.493 -13.287 7.134 1.00 9.41 C ATOM 16 CG2 ILE A 2 -13.800 -13.035 8.080 1.00 9.20 C ATOM 17 CD1 ILE A 2 -11.412 -14.763 7.464 1.00 9.86 C ATOM 0 H ILE A 2 -14.088 -10.097 8.551 1.00 9.64 H new ATOM 0 HA ILE A 2 -11.330 -10.646 7.743 1.00 8.69 H new ATOM 0 HB ILE A 2 -11.973 -12.613 9.103 1.00 9.07 H new ATOM 0 HG12 ILE A 2 -11.877 -13.170 6.121 1.00 9.41 H new ATOM 0 HG13 ILE A 2 -10.488 -12.864 7.145 1.00 9.41 H new ATOM 0 HG21 ILE A 2 -13.788 -14.098 8.322 1.00 9.20 H new ATOM 0 HG22 ILE A 2 -14.401 -12.502 8.817 1.00 9.20 H new ATOM 0 HG23 ILE A 2 -14.231 -12.893 7.089 1.00 9.20 H new ATOM 0 HD11 ILE A 2 -10.768 -15.263 6.740 1.00 9.86 H new ATOM 0 HD12 ILE A 2 -11.000 -14.890 8.465 1.00 9.86 H new ATOM 0 HD13 ILE A 2 -12.410 -15.200 7.424 1.00 9.86 H new ATOM 29 N ASP A 3 -12.203 -10.846 5.331 1.00 6.96 N ATOM 30 CA ASP A 3 -12.731 -10.682 3.984 1.00 6.18 C ATOM 31 C ASP A 3 -13.164 -12.039 3.438 1.00 5.44 C ATOM 32 O ASP A 3 -12.326 -12.899 3.158 1.00 5.15 O ATOM 33 CB ASP A 3 -11.695 -10.046 3.056 1.00 6.00 C ATOM 34 CG ASP A 3 -12.339 -9.398 1.852 1.00 6.08 C ATOM 35 OD1 ASP A 3 -13.496 -9.743 1.531 1.00 6.51 O ATOM 36 OD2 ASP A 3 -11.698 -8.540 1.218 1.00 6.03 O ATOM 0 H ASP A 3 -11.203 -11.041 5.378 1.00 6.96 H new ATOM 0 HA ASP A 3 -13.592 -10.015 4.029 1.00 6.18 H new ATOM 0 HB2 ASP A 3 -11.123 -9.300 3.608 1.00 6.00 H new ATOM 0 HB3 ASP A 3 -10.989 -10.807 2.724 1.00 6.00 H new ATOM 41 N PRO A 4 -14.483 -12.253 3.296 1.00 5.55 N ATOM 42 CA PRO A 4 -15.047 -13.551 2.920 1.00 5.42 C ATOM 43 C PRO A 4 -14.762 -13.948 1.473 1.00 4.78 C ATOM 44 O PRO A 4 -14.455 -15.105 1.197 1.00 4.92 O ATOM 45 CB PRO A 4 -16.559 -13.375 3.127 1.00 6.21 C ATOM 46 CG PRO A 4 -16.718 -12.092 3.870 1.00 6.65 C ATOM 47 CD PRO A 4 -15.535 -11.250 3.500 1.00 6.29 C ATOM 0 HA PRO A 4 -14.604 -14.348 3.518 1.00 5.42 H new ATOM 0 HB2 PRO A 4 -17.084 -13.342 2.172 1.00 6.21 H new ATOM 0 HB3 PRO A 4 -16.977 -14.209 3.692 1.00 6.21 H new ATOM 0 HG2 PRO A 4 -17.650 -11.596 3.598 1.00 6.65 H new ATOM 0 HG3 PRO A 4 -16.752 -12.266 4.946 1.00 6.65 H new ATOM 0 HD2 PRO A 4 -15.719 -10.666 2.598 1.00 6.29 H new ATOM 0 HD3 PRO A 4 -15.276 -10.545 4.290 1.00 6.29 H new ATOM 55 N PHE A 5 -14.860 -13.000 0.548 1.00 4.52 N ATOM 56 CA PHE A 5 -14.748 -13.327 -0.873 1.00 4.35 C ATOM 57 C PHE A 5 -13.703 -12.469 -1.569 1.00 3.69 C ATOM 58 O PHE A 5 -13.745 -12.291 -2.785 1.00 3.93 O ATOM 59 CB PHE A 5 -16.100 -13.150 -1.570 1.00 5.29 C ATOM 60 CG PHE A 5 -17.204 -13.968 -0.968 1.00 6.13 C ATOM 61 CD1 PHE A 5 -17.303 -15.322 -1.241 1.00 6.78 C ATOM 62 CD2 PHE A 5 -18.143 -13.386 -0.134 1.00 6.53 C ATOM 63 CE1 PHE A 5 -18.317 -16.081 -0.695 1.00 7.72 C ATOM 64 CE2 PHE A 5 -19.162 -14.139 0.415 1.00 7.42 C ATOM 65 CZ PHE A 5 -19.247 -15.474 0.155 1.00 7.99 C ATOM 0 H PHE A 5 -15.014 -12.012 0.749 1.00 4.52 H new ATOM 0 HA PHE A 5 -14.434 -14.369 -0.941 1.00 4.35 H new ATOM 0 HB2 PHE A 5 -16.381 -12.097 -1.536 1.00 5.29 H new ATOM 0 HB3 PHE A 5 -15.994 -13.418 -2.621 1.00 5.29 H new ATOM 0 HD1 PHE A 5 -16.577 -15.790 -1.890 1.00 6.78 H new ATOM 0 HD2 PHE A 5 -18.078 -12.331 0.090 1.00 6.53 H new ATOM 0 HE1 PHE A 5 -18.392 -17.134 -0.922 1.00 7.72 H new ATOM 0 HE2 PHE A 5 -19.895 -13.668 1.053 1.00 7.42 H new ATOM 0 HZ PHE A 5 -20.032 -16.063 0.605 1.00 7.99 H new ATOM 75 N THR A 6 -12.767 -11.934 -0.803 1.00 3.31 N ATOM 76 CA THR A 6 -11.739 -11.077 -1.364 1.00 3.02 C ATOM 77 C THR A 6 -10.481 -11.081 -0.500 1.00 2.13 C ATOM 78 O THR A 6 -10.435 -11.737 0.541 1.00 2.37 O ATOM 79 CB THR A 6 -12.247 -9.631 -1.515 1.00 3.65 C ATOM 80 OG1 THR A 6 -13.586 -9.512 -1.012 1.00 4.26 O ATOM 81 CG2 THR A 6 -12.213 -9.201 -2.966 1.00 4.04 C ATOM 0 H THR A 6 -12.699 -12.078 0.205 1.00 3.31 H new ATOM 0 HA THR A 6 -11.493 -11.475 -2.348 1.00 3.02 H new ATOM 0 HB THR A 6 -11.589 -8.983 -0.937 1.00 3.65 H new ATOM 0 HG1 THR A 6 -13.621 -9.846 -0.091 1.00 4.26 H new ATOM 0 HG21 THR A 6 -12.576 -8.177 -3.051 1.00 4.04 H new ATOM 0 HG22 THR A 6 -11.190 -9.255 -3.338 1.00 4.04 H new ATOM 0 HG23 THR A 6 -12.849 -9.861 -3.556 1.00 4.04 H new ATOM 89 N MET A 7 -9.461 -10.363 -0.953 1.00 1.53 N ATOM 90 CA MET A 7 -8.218 -10.217 -0.204 1.00 1.05 C ATOM 91 C MET A 7 -7.597 -8.862 -0.523 1.00 0.83 C ATOM 92 O MET A 7 -6.379 -8.696 -0.497 1.00 1.39 O ATOM 93 CB MET A 7 -7.238 -11.346 -0.555 1.00 1.50 C ATOM 94 CG MET A 7 -6.822 -11.358 -2.019 1.00 2.32 C ATOM 95 SD MET A 7 -5.578 -12.610 -2.389 1.00 3.29 S ATOM 96 CE MET A 7 -5.270 -12.272 -4.122 1.00 3.84 C ATOM 0 H MET A 7 -9.471 -9.868 -1.845 1.00 1.53 H new ATOM 0 HA MET A 7 -8.435 -10.277 0.863 1.00 1.05 H new ATOM 0 HB2 MET A 7 -6.348 -11.249 0.066 1.00 1.50 H new ATOM 0 HB3 MET A 7 -7.696 -12.304 -0.308 1.00 1.50 H new ATOM 0 HG2 MET A 7 -7.701 -11.533 -2.639 1.00 2.32 H new ATOM 0 HG3 MET A 7 -6.432 -10.376 -2.288 1.00 2.32 H new ATOM 0 HE1 MET A 7 -4.520 -12.966 -4.500 1.00 3.84 H new ATOM 0 HE2 MET A 7 -6.194 -12.394 -4.686 1.00 3.84 H new ATOM 0 HE3 MET A 7 -4.908 -11.250 -4.235 1.00 3.84 H new ATOM 106 N LEU A 8 -8.457 -7.891 -0.797 1.00 0.80 N ATOM 107 CA LEU A 8 -8.020 -6.594 -1.307 1.00 0.56 C ATOM 108 C LEU A 8 -7.639 -5.647 -0.178 1.00 0.48 C ATOM 109 O LEU A 8 -8.173 -4.543 -0.070 1.00 0.47 O ATOM 110 CB LEU A 8 -9.126 -5.968 -2.153 1.00 0.47 C ATOM 111 CG LEU A 8 -9.620 -6.835 -3.306 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.777 -6.158 -4.016 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.487 -7.121 -4.275 1.00 0.72 C ATOM 0 H LEU A 8 -9.466 -7.975 -0.675 1.00 0.80 H new ATOM 0 HA LEU A 8 -7.135 -6.759 -1.921 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.971 -5.734 -1.505 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -8.763 -5.023 -2.557 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.973 -7.784 -2.904 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.119 -6.788 -4.837 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.595 -6.003 -3.312 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.449 -5.196 -4.410 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.855 -7.741 -5.093 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.105 -6.182 -4.675 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.686 -7.646 -3.754 1.00 0.72 H new ATOM 125 N ARG A 9 -6.708 -6.070 0.655 1.00 0.52 N ATOM 126 CA ARG A 9 -6.258 -5.239 1.753 1.00 0.51 C ATOM 127 C ARG A 9 -4.742 -5.086 1.703 1.00 0.43 C ATOM 128 O ARG A 9 -4.047 -5.936 1.144 1.00 0.47 O ATOM 129 CB ARG A 9 -6.740 -5.786 3.107 1.00 0.69 C ATOM 130 CG ARG A 9 -6.277 -7.193 3.452 1.00 1.15 C ATOM 131 CD ARG A 9 -6.914 -7.646 4.757 1.00 1.21 C ATOM 132 NE ARG A 9 -6.389 -8.921 5.236 1.00 1.84 N ATOM 133 CZ ARG A 9 -6.432 -9.301 6.515 1.00 2.23 C ATOM 134 NH1 ARG A 9 -7.021 -8.525 7.416 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.910 -10.461 6.891 1.00 3.09 N ATOM 0 H ARG A 9 -6.251 -6.980 0.593 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.700 -4.249 1.646 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.403 -5.109 3.892 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.830 -5.769 3.118 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.545 -7.880 2.649 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -5.191 -7.216 3.541 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -6.751 -6.883 5.518 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.992 -7.732 4.618 1.00 1.21 H new ATOM 0 HE ARG A 9 -5.967 -9.555 4.558 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.440 -7.640 7.131 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -7.055 -8.814 8.394 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.471 -11.071 6.201 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -5.947 -10.743 7.870 1.00 3.09 H new ATOM 149 N PRO A 10 -4.219 -3.983 2.266 1.00 0.36 N ATOM 150 CA PRO A 10 -2.798 -3.624 2.155 1.00 0.30 C ATOM 151 C PRO A 10 -1.868 -4.626 2.838 1.00 0.28 C ATOM 152 O PRO A 10 -2.315 -5.610 3.429 1.00 0.38 O ATOM 153 CB PRO A 10 -2.731 -2.260 2.852 1.00 0.29 C ATOM 154 CG PRO A 10 -3.884 -2.260 3.787 1.00 0.47 C ATOM 155 CD PRO A 10 -4.968 -3.001 3.069 1.00 0.40 C ATOM 0 HA PRO A 10 -2.464 -3.613 1.117 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.789 -2.133 3.385 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.803 -1.444 2.133 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.629 -2.748 4.728 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.195 -1.244 4.030 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.654 -3.486 3.763 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.564 -2.338 2.443 1.00 0.40 H new ATOM 163 N ARG A 11 -0.574 -4.368 2.751 1.00 0.29 N ATOM 164 CA ARG A 11 0.424 -5.236 3.358 1.00 0.34 C ATOM 165 C ARG A 11 1.509 -4.403 4.035 1.00 0.27 C ATOM 166 O ARG A 11 2.015 -3.440 3.453 1.00 0.27 O ATOM 167 CB ARG A 11 1.030 -6.167 2.294 1.00 0.49 C ATOM 168 CG ARG A 11 1.653 -5.429 1.112 1.00 0.63 C ATOM 169 CD ARG A 11 1.917 -6.355 -0.069 1.00 1.00 C ATOM 170 NE ARG A 11 0.688 -6.986 -0.552 1.00 1.22 N ATOM 171 CZ ARG A 11 0.076 -6.671 -1.695 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.615 -5.793 -2.535 1.00 1.95 N ATOM 173 NH2 ARG A 11 -1.069 -7.261 -2.012 1.00 2.37 N ATOM 0 H ARG A 11 -0.187 -3.560 2.263 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.056 -5.851 4.120 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.791 -6.792 2.762 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.252 -6.835 1.924 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.990 -4.623 0.798 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.589 -4.968 1.426 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.377 -5.789 -0.879 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.629 -7.126 0.226 1.00 1.00 H new ATOM 0 HE ARG A 11 0.271 -7.717 0.025 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.506 -5.352 -2.309 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.137 -5.561 -3.406 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -1.478 -7.952 -1.383 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -1.541 -7.023 -2.885 1.00 2.37 H new ATOM 187 N LEU A 12 1.837 -4.756 5.275 1.00 0.29 N ATOM 188 CA LEU A 12 2.907 -4.083 6.004 1.00 0.26 C ATOM 189 C LEU A 12 4.215 -4.830 5.821 1.00 0.25 C ATOM 190 O LEU A 12 4.383 -5.948 6.314 1.00 0.32 O ATOM 191 CB LEU A 12 2.593 -3.976 7.502 1.00 0.34 C ATOM 192 CG LEU A 12 2.174 -2.586 7.997 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.019 -2.589 9.510 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.187 -1.530 7.576 1.00 1.28 C ATOM 0 H LEU A 12 1.378 -5.503 5.795 1.00 0.29 H new ATOM 0 HA LEU A 12 2.994 -3.075 5.598 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.796 -4.681 7.738 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.473 -4.291 8.062 1.00 0.34 H new ATOM 0 HG LEU A 12 1.214 -2.340 7.543 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.721 -1.596 9.847 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.256 -3.313 9.796 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.968 -2.860 9.972 1.00 1.32 H new ATOM 0 HD21 LEU A 12 2.867 -0.553 7.939 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.162 -1.772 7.998 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.258 -1.507 6.489 1.00 1.28 H new ATOM 206 N CYS A 13 5.131 -4.219 5.105 1.00 0.23 N ATOM 207 CA CYS A 13 6.436 -4.796 4.895 1.00 0.25 C ATOM 208 C CYS A 13 7.407 -4.248 5.933 1.00 0.22 C ATOM 209 O CYS A 13 7.668 -3.044 5.974 1.00 0.24 O ATOM 210 CB CYS A 13 6.921 -4.462 3.485 1.00 0.29 C ATOM 211 SG CYS A 13 5.735 -4.878 2.186 1.00 0.40 S ATOM 0 H CYS A 13 4.993 -3.314 4.655 1.00 0.23 H new ATOM 0 HA CYS A 13 6.381 -5.879 5.001 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.145 -3.397 3.431 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.853 -4.994 3.296 1.00 0.29 H new ATOM 0 HG CYS A 13 6.132 -4.371 1.057 1.00 0.40 H new ATOM 217 N THR A 14 7.932 -5.124 6.775 1.00 0.23 N ATOM 218 CA THR A 14 8.875 -4.706 7.796 1.00 0.24 C ATOM 219 C THR A 14 10.265 -5.156 7.387 1.00 0.22 C ATOM 220 O THR A 14 10.533 -6.353 7.289 1.00 0.25 O ATOM 221 CB THR A 14 8.524 -5.311 9.169 1.00 0.31 C ATOM 222 OG1 THR A 14 7.143 -5.070 9.473 1.00 0.35 O ATOM 223 CG2 THR A 14 9.397 -4.714 10.263 1.00 0.35 C ATOM 0 H THR A 14 7.722 -6.122 6.771 1.00 0.23 H new ATOM 0 HA THR A 14 8.832 -3.621 7.887 1.00 0.24 H new ATOM 0 HB THR A 14 8.706 -6.385 9.124 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.928 -5.459 10.346 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.131 -5.156 11.223 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.445 -4.921 10.046 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.242 -3.636 10.305 1.00 0.35 H new ATOM 231 N MET A 15 11.146 -4.204 7.172 1.00 0.20 N ATOM 232 CA MET A 15 12.443 -4.502 6.599 1.00 0.19 C ATOM 233 C MET A 15 13.541 -3.767 7.341 1.00 0.21 C ATOM 234 O MET A 15 13.413 -2.581 7.650 1.00 0.21 O ATOM 235 CB MET A 15 12.453 -4.114 5.117 1.00 0.21 C ATOM 236 CG MET A 15 12.203 -2.633 4.881 1.00 0.24 C ATOM 237 SD MET A 15 12.103 -2.193 3.136 1.00 0.88 S ATOM 238 CE MET A 15 10.527 -2.924 2.700 1.00 0.28 C ATOM 0 H MET A 15 10.990 -3.219 7.384 1.00 0.20 H new ATOM 0 HA MET A 15 12.629 -5.572 6.692 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.415 -4.386 4.684 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.692 -4.692 4.592 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.274 -2.346 5.374 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.003 -2.058 5.348 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.674 -3.665 1.914 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.095 -3.406 3.577 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.851 -2.146 2.344 1.00 0.28 H new ATOM 248 N LYS A 16 14.610 -4.481 7.635 1.00 0.29 N ATOM 249 CA LYS A 16 15.764 -3.887 8.280 1.00 0.37 C ATOM 250 C LYS A 16 16.748 -3.430 7.220 1.00 0.40 C ATOM 251 O LYS A 16 16.843 -4.026 6.153 1.00 0.48 O ATOM 252 CB LYS A 16 16.427 -4.895 9.220 1.00 0.50 C ATOM 253 CG LYS A 16 17.548 -4.298 10.058 1.00 0.90 C ATOM 254 CD LYS A 16 18.343 -5.368 10.789 1.00 1.09 C ATOM 255 CE LYS A 16 19.269 -6.125 9.848 1.00 1.96 C ATOM 256 NZ LYS A 16 20.354 -5.256 9.313 1.00 2.58 N ATOM 0 H LYS A 16 14.703 -5.477 7.436 1.00 0.29 H new ATOM 0 HA LYS A 16 15.444 -3.029 8.872 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.670 -5.312 9.884 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.825 -5.721 8.631 1.00 0.50 H new ATOM 0 HG2 LYS A 16 18.216 -3.726 9.415 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.127 -3.600 10.782 1.00 0.90 H new ATOM 0 HD2 LYS A 16 18.930 -4.906 11.583 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.657 -6.068 11.266 1.00 1.09 H new ATOM 0 HE2 LYS A 16 19.709 -6.971 10.376 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.690 -6.533 9.020 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 21.120 -5.850 8.936 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.975 -4.656 8.553 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 20.725 -4.655 10.076 1.00 2.58 H new ATOM 270 N LYS A 17 17.452 -2.352 7.507 1.00 0.41 N ATOM 271 CA LYS A 17 18.440 -1.815 6.596 1.00 0.50 C ATOM 272 C LYS A 17 19.533 -2.828 6.297 1.00 0.60 C ATOM 273 O LYS A 17 20.169 -3.352 7.211 1.00 0.67 O ATOM 274 CB LYS A 17 19.066 -0.573 7.205 1.00 0.51 C ATOM 275 CG LYS A 17 19.234 0.556 6.220 1.00 0.52 C ATOM 276 CD LYS A 17 19.849 1.771 6.886 1.00 0.53 C ATOM 277 CE LYS A 17 18.991 2.263 8.036 1.00 0.62 C ATOM 278 NZ LYS A 17 19.648 3.364 8.786 1.00 0.92 N ATOM 0 H LYS A 17 17.355 -1.826 8.376 1.00 0.41 H new ATOM 0 HA LYS A 17 17.937 -1.569 5.661 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.447 -0.232 8.035 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.040 -0.832 7.620 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.866 0.231 5.393 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.265 0.821 5.796 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.845 1.522 7.253 1.00 0.53 H new ATOM 0 HD3 LYS A 17 19.970 2.568 6.153 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.031 2.608 7.651 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.783 1.435 8.714 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.053 3.637 9.594 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.575 3.044 9.132 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.777 4.183 8.158 1.00 0.92 H new ATOM 292 N GLY A 18 19.720 -3.120 5.021 1.00 0.68 N ATOM 293 CA GLY A 18 20.846 -3.916 4.600 1.00 0.85 C ATOM 294 C GLY A 18 21.896 -3.067 3.908 1.00 1.05 C ATOM 295 O GLY A 18 21.929 -1.846 4.096 1.00 1.28 O ATOM 0 H GLY A 18 19.106 -2.816 4.266 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.288 -4.410 5.465 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.506 -4.700 3.924 1.00 0.85 H new ATOM 299 N PRO A 19 22.744 -3.680 3.076 1.00 1.24 N ATOM 300 CA PRO A 19 23.839 -2.984 2.389 1.00 1.57 C ATOM 301 C PRO A 19 23.353 -1.956 1.367 1.00 1.57 C ATOM 302 O PRO A 19 23.945 -0.888 1.214 1.00 2.23 O ATOM 303 CB PRO A 19 24.600 -4.114 1.685 1.00 1.91 C ATOM 304 CG PRO A 19 23.617 -5.227 1.563 1.00 1.86 C ATOM 305 CD PRO A 19 22.702 -5.112 2.748 1.00 1.40 C ATOM 0 HA PRO A 19 24.443 -2.410 3.092 1.00 1.57 H new ATOM 0 HB2 PRO A 19 24.960 -3.797 0.706 1.00 1.91 H new ATOM 0 HB3 PRO A 19 25.473 -4.420 2.262 1.00 1.91 H new ATOM 0 HG2 PRO A 19 23.057 -5.151 0.631 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.122 -6.193 1.554 1.00 1.86 H new ATOM 0 HD2 PRO A 19 21.690 -5.439 2.507 1.00 1.40 H new ATOM 0 HD3 PRO A 19 23.045 -5.725 3.581 1.00 1.40 H new ATOM 313 N SER A 20 22.265 -2.273 0.680 1.00 1.40 N ATOM 314 CA SER A 20 21.751 -1.404 -0.371 1.00 1.65 C ATOM 315 C SER A 20 20.684 -0.451 0.160 1.00 1.43 C ATOM 316 O SER A 20 19.876 0.075 -0.605 1.00 1.93 O ATOM 317 CB SER A 20 21.166 -2.241 -1.506 1.00 2.14 C ATOM 318 OG SER A 20 22.075 -3.241 -1.927 1.00 2.87 O ATOM 0 H SER A 20 21.722 -3.123 0.830 1.00 1.40 H new ATOM 0 HA SER A 20 22.585 -0.810 -0.743 1.00 1.65 H new ATOM 0 HB2 SER A 20 20.237 -2.706 -1.177 1.00 2.14 H new ATOM 0 HB3 SER A 20 20.918 -1.594 -2.347 1.00 2.14 H new ATOM 0 HG SER A 20 21.674 -3.763 -2.653 1.00 2.87 H new ATOM 324 N GLY A 21 20.690 -0.227 1.472 1.00 1.04 N ATOM 325 CA GLY A 21 19.674 0.609 2.083 1.00 0.94 C ATOM 326 C GLY A 21 18.293 0.016 1.902 1.00 0.97 C ATOM 327 O GLY A 21 17.482 0.543 1.137 1.00 1.93 O ATOM 0 H GLY A 21 21.379 -0.609 2.120 1.00 1.04 H new ATOM 0 HA2 GLY A 21 19.886 0.725 3.146 1.00 0.94 H new ATOM 0 HA3 GLY A 21 19.705 1.605 1.641 1.00 0.94 H new ATOM 331 N TYR A 22 18.052 -1.099 2.595 1.00 0.74 N ATOM 332 CA TYR A 22 16.799 -1.860 2.503 1.00 0.70 C ATOM 333 C TYR A 22 16.739 -2.651 1.190 1.00 0.89 C ATOM 334 O TYR A 22 16.483 -3.854 1.196 1.00 1.82 O ATOM 335 CB TYR A 22 15.564 -0.958 2.655 1.00 0.64 C ATOM 336 CG TYR A 22 15.555 -0.136 3.931 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.288 -0.732 5.158 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.811 1.228 3.909 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.277 0.008 6.325 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.802 1.975 5.072 1.00 0.54 C ATOM 341 CZ TYR A 22 15.540 1.379 6.263 1.00 0.46 C ATOM 342 OH TYR A 22 15.523 2.098 7.436 1.00 0.59 O ATOM 0 H TYR A 22 18.727 -1.505 3.243 1.00 0.74 H new ATOM 0 HA TYR A 22 16.787 -2.565 3.334 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.511 -0.284 1.800 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.668 -1.578 2.628 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.086 -1.792 5.200 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.021 1.714 2.967 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.068 -0.467 7.272 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.004 3.035 5.033 1.00 0.54 H new ATOM 0 HH TYR A 22 14.990 2.911 7.313 1.00 0.59 H new ATOM 352 N GLY A 23 16.985 -1.972 0.073 1.00 0.43 N ATOM 353 CA GLY A 23 17.090 -2.648 -1.211 1.00 0.42 C ATOM 354 C GLY A 23 15.821 -2.568 -2.038 1.00 0.39 C ATOM 355 O GLY A 23 15.143 -3.573 -2.244 1.00 0.39 O ATOM 0 H GLY A 23 17.114 -0.961 0.033 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.912 -2.211 -1.777 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.340 -3.695 -1.043 1.00 0.42 H new ATOM 359 N PHE A 24 15.508 -1.375 -2.528 1.00 0.37 N ATOM 360 CA PHE A 24 14.361 -1.179 -3.409 1.00 0.36 C ATOM 361 C PHE A 24 14.563 0.070 -4.258 1.00 0.38 C ATOM 362 O PHE A 24 15.486 0.850 -4.014 1.00 0.40 O ATOM 363 CB PHE A 24 13.055 -1.077 -2.605 1.00 0.34 C ATOM 364 CG PHE A 24 13.032 0.036 -1.593 1.00 0.32 C ATOM 365 CD1 PHE A 24 12.611 1.307 -1.949 1.00 0.34 C ATOM 366 CD2 PHE A 24 13.423 -0.193 -0.283 1.00 0.33 C ATOM 367 CE1 PHE A 24 12.583 2.328 -1.018 1.00 0.36 C ATOM 368 CE2 PHE A 24 13.396 0.825 0.651 1.00 0.35 C ATOM 369 CZ PHE A 24 12.975 2.086 0.283 1.00 0.36 C ATOM 0 H PHE A 24 16.035 -0.524 -2.330 1.00 0.37 H new ATOM 0 HA PHE A 24 14.282 -2.046 -4.065 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.226 -0.938 -3.299 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.885 -2.023 -2.090 1.00 0.34 H new ATOM 0 HD1 PHE A 24 12.301 1.502 -2.965 1.00 0.34 H new ATOM 0 HD2 PHE A 24 13.753 -1.179 0.011 1.00 0.33 H new ATOM 0 HE1 PHE A 24 12.254 3.315 -1.308 1.00 0.36 H new ATOM 0 HE2 PHE A 24 13.704 0.634 1.668 1.00 0.35 H new ATOM 0 HZ PHE A 24 12.952 2.883 1.012 1.00 0.36 H new ATOM 379 N ASN A 25 13.715 0.246 -5.258 1.00 0.43 N ATOM 380 CA ASN A 25 13.777 1.415 -6.120 1.00 0.46 C ATOM 381 C ASN A 25 12.380 1.990 -6.306 1.00 0.42 C ATOM 382 O ASN A 25 11.447 1.270 -6.674 1.00 0.39 O ATOM 383 CB ASN A 25 14.393 1.048 -7.475 1.00 0.51 C ATOM 384 CG ASN A 25 14.687 2.263 -8.336 1.00 1.23 C ATOM 385 OD1 ASN A 25 13.871 2.677 -9.159 1.00 2.18 O ATOM 386 ND2 ASN A 25 15.860 2.846 -8.147 1.00 1.65 N ATOM 0 H ASN A 25 12.971 -0.411 -5.494 1.00 0.43 H new ATOM 0 HA ASN A 25 14.410 2.169 -5.652 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.316 0.493 -7.311 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.713 0.385 -8.010 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.115 3.669 -8.693 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.509 2.473 -7.455 1.00 1.65 H new ATOM 393 N LEU A 26 12.238 3.276 -6.041 1.00 0.50 N ATOM 394 CA LEU A 26 10.941 3.934 -6.106 1.00 0.52 C ATOM 395 C LEU A 26 10.803 4.718 -7.399 1.00 0.55 C ATOM 396 O LEU A 26 11.773 5.294 -7.889 1.00 0.73 O ATOM 397 CB LEU A 26 10.769 4.891 -4.922 1.00 0.69 C ATOM 398 CG LEU A 26 10.839 4.246 -3.538 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.732 5.307 -2.456 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.740 3.215 -3.378 1.00 1.48 C ATOM 0 H LEU A 26 13.008 3.890 -5.777 1.00 0.50 H new ATOM 0 HA LEU A 26 10.171 3.163 -6.068 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.539 5.660 -4.984 1.00 0.69 H new ATOM 0 HB3 LEU A 26 9.807 5.394 -5.021 1.00 0.69 H new ATOM 0 HG LEU A 26 11.801 3.743 -3.438 1.00 0.87 H new ATOM 0 HD11 LEU A 26 10.783 4.833 -1.476 1.00 1.52 H new ATOM 0 HD12 LEU A 26 11.553 6.016 -2.560 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.783 5.834 -2.555 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.804 2.765 -2.387 1.00 1.48 H new ATOM 0 HD22 LEU A 26 8.769 3.697 -3.496 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.855 2.440 -4.136 1.00 1.48 H new ATOM 412 N HIS A 27 9.604 4.736 -7.956 1.00 0.56 N ATOM 413 CA HIS A 27 9.338 5.570 -9.114 1.00 0.67 C ATOM 414 C HIS A 27 8.138 6.465 -8.840 1.00 0.68 C ATOM 415 O HIS A 27 7.102 6.007 -8.349 1.00 0.95 O ATOM 416 CB HIS A 27 9.160 4.726 -10.394 1.00 1.23 C ATOM 417 CG HIS A 27 7.764 4.276 -10.724 1.00 0.70 C ATOM 418 ND1 HIS A 27 6.916 4.996 -11.542 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.092 3.150 -10.394 1.00 0.81 C ATOM 420 CE1 HIS A 27 5.785 4.335 -11.697 1.00 1.30 C ATOM 421 NE2 HIS A 27 5.867 3.212 -11.012 1.00 1.34 N ATOM 0 H HIS A 27 8.808 4.189 -7.629 1.00 0.56 H new ATOM 0 HA HIS A 27 10.202 6.210 -9.292 1.00 0.67 H new ATOM 0 HB2 HIS A 27 9.538 5.305 -11.237 1.00 1.23 H new ATOM 0 HB3 HIS A 27 9.790 3.841 -10.307 1.00 1.23 H new ATOM 0 HD2 HIS A 27 7.451 2.351 -9.762 1.00 0.81 H new ATOM 0 HE1 HIS A 27 4.938 4.658 -12.284 1.00 1.30 H new ATOM 0 HE2 HIS A 27 5.137 2.502 -10.951 1.00 1.34 H new ATOM 430 N SER A 28 8.306 7.743 -9.114 1.00 0.75 N ATOM 431 CA SER A 28 7.274 8.727 -8.864 1.00 1.14 C ATOM 432 C SER A 28 6.922 9.444 -10.155 1.00 1.03 C ATOM 433 O SER A 28 7.793 10.020 -10.812 1.00 1.34 O ATOM 434 CB SER A 28 7.764 9.723 -7.812 1.00 1.74 C ATOM 435 OG SER A 28 9.034 10.247 -8.168 1.00 2.30 O ATOM 0 H SER A 28 9.161 8.128 -9.516 1.00 0.75 H new ATOM 0 HA SER A 28 6.379 8.231 -8.489 1.00 1.14 H new ATOM 0 HB2 SER A 28 7.045 10.536 -7.712 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.827 9.232 -6.841 1.00 1.74 H new ATOM 0 HG SER A 28 9.070 10.386 -9.137 1.00 2.30 H new ATOM 441 N ASP A 29 5.654 9.407 -10.515 1.00 1.23 N ATOM 442 CA ASP A 29 5.205 10.016 -11.751 1.00 1.54 C ATOM 443 C ASP A 29 4.911 11.487 -11.540 1.00 1.63 C ATOM 444 O ASP A 29 4.331 11.881 -10.528 1.00 1.73 O ATOM 445 CB ASP A 29 3.955 9.313 -12.280 1.00 2.09 C ATOM 446 CG ASP A 29 4.243 7.926 -12.812 1.00 2.87 C ATOM 447 OD1 ASP A 29 4.592 7.800 -14.002 1.00 3.48 O ATOM 448 OD2 ASP A 29 4.124 6.954 -12.038 1.00 3.19 O ATOM 0 H ASP A 29 4.917 8.962 -9.969 1.00 1.23 H new ATOM 0 HA ASP A 29 6.003 9.913 -12.486 1.00 1.54 H new ATOM 0 HB2 ASP A 29 3.217 9.245 -11.481 1.00 2.09 H new ATOM 0 HB3 ASP A 29 3.512 9.916 -13.072 1.00 2.09 H new ATOM 453 N LYS A 30 5.331 12.300 -12.493 1.00 1.90 N ATOM 454 CA LYS A 30 5.054 13.725 -12.460 1.00 2.10 C ATOM 455 C LYS A 30 3.651 13.991 -12.992 1.00 2.35 C ATOM 456 O LYS A 30 3.156 15.115 -12.945 1.00 2.78 O ATOM 457 CB LYS A 30 6.101 14.485 -13.278 1.00 2.29 C ATOM 458 CG LYS A 30 7.510 14.348 -12.720 1.00 2.65 C ATOM 459 CD LYS A 30 8.546 15.017 -13.613 1.00 3.12 C ATOM 460 CE LYS A 30 8.712 14.287 -14.940 1.00 3.99 C ATOM 461 NZ LYS A 30 9.162 12.880 -14.756 1.00 4.54 N ATOM 0 H LYS A 30 5.869 11.995 -13.304 1.00 1.90 H new ATOM 0 HA LYS A 30 5.106 14.078 -11.430 1.00 2.10 H new ATOM 0 HB2 LYS A 30 6.086 14.120 -14.305 1.00 2.29 H new ATOM 0 HB3 LYS A 30 5.831 15.541 -13.311 1.00 2.29 H new ATOM 0 HG2 LYS A 30 7.550 14.790 -11.725 1.00 2.65 H new ATOM 0 HG3 LYS A 30 7.755 13.292 -12.610 1.00 2.65 H new ATOM 0 HD2 LYS A 30 8.250 16.049 -13.801 1.00 3.12 H new ATOM 0 HD3 LYS A 30 9.504 15.050 -13.095 1.00 3.12 H new ATOM 0 HE2 LYS A 30 7.764 14.296 -15.479 1.00 3.99 H new ATOM 0 HE3 LYS A 30 9.435 14.820 -15.558 1.00 3.99 H new ATOM 0 HZ1 LYS A 30 9.519 12.509 -15.659 1.00 4.54 H new ATOM 0 HZ2 LYS A 30 9.920 12.848 -14.045 1.00 4.54 H new ATOM 0 HZ3 LYS A 30 8.362 12.299 -14.435 1.00 4.54 H new ATOM 475 N SER A 31 3.023 12.941 -13.500 1.00 2.29 N ATOM 476 CA SER A 31 1.657 13.015 -13.982 1.00 2.61 C ATOM 477 C SER A 31 0.673 12.751 -12.844 1.00 2.43 C ATOM 478 O SER A 31 -0.393 13.366 -12.766 1.00 2.50 O ATOM 479 CB SER A 31 1.464 11.992 -15.100 1.00 2.93 C ATOM 480 OG SER A 31 2.015 10.738 -14.725 1.00 3.49 O ATOM 0 H SER A 31 3.447 12.017 -13.588 1.00 2.29 H new ATOM 0 HA SER A 31 1.465 14.016 -14.369 1.00 2.61 H new ATOM 0 HB2 SER A 31 0.402 11.879 -15.319 1.00 2.93 H new ATOM 0 HB3 SER A 31 1.941 12.348 -16.013 1.00 2.93 H new ATOM 0 HG SER A 31 1.882 10.092 -15.450 1.00 3.49 H new ATOM 486 N LYS A 32 1.045 11.839 -11.959 1.00 2.27 N ATOM 487 CA LYS A 32 0.198 11.458 -10.843 1.00 2.14 C ATOM 488 C LYS A 32 1.032 11.292 -9.576 1.00 1.84 C ATOM 489 O LYS A 32 2.050 10.599 -9.581 1.00 1.68 O ATOM 490 CB LYS A 32 -0.557 10.160 -11.169 1.00 2.21 C ATOM 491 CG LYS A 32 0.349 8.998 -11.564 1.00 2.25 C ATOM 492 CD LYS A 32 -0.451 7.768 -11.968 1.00 2.41 C ATOM 493 CE LYS A 32 -1.258 8.013 -13.233 1.00 2.93 C ATOM 494 NZ LYS A 32 -2.005 6.803 -13.654 1.00 3.00 N ATOM 0 H LYS A 32 1.937 11.346 -11.995 1.00 2.27 H new ATOM 0 HA LYS A 32 -0.532 12.249 -10.671 1.00 2.14 H new ATOM 0 HB2 LYS A 32 -1.148 9.868 -10.301 1.00 2.21 H new ATOM 0 HB3 LYS A 32 -1.258 10.353 -11.981 1.00 2.21 H new ATOM 0 HG2 LYS A 32 0.990 9.302 -12.391 1.00 2.25 H new ATOM 0 HG3 LYS A 32 1.003 8.748 -10.729 1.00 2.25 H new ATOM 0 HD2 LYS A 32 0.226 6.929 -12.125 1.00 2.41 H new ATOM 0 HD3 LYS A 32 -1.123 7.488 -11.156 1.00 2.41 H new ATOM 0 HE2 LYS A 32 -1.958 8.832 -13.065 1.00 2.93 H new ATOM 0 HE3 LYS A 32 -0.590 8.325 -14.036 1.00 2.93 H new ATOM 0 HZ1 LYS A 32 -2.543 7.011 -14.520 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -1.336 6.029 -13.839 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 -2.661 6.520 -12.899 1.00 3.00 H new ATOM 508 N PRO A 33 0.618 11.947 -8.480 1.00 1.87 N ATOM 509 CA PRO A 33 1.335 11.882 -7.204 1.00 1.71 C ATOM 510 C PRO A 33 1.302 10.484 -6.600 1.00 1.40 C ATOM 511 O PRO A 33 0.436 9.670 -6.933 1.00 1.40 O ATOM 512 CB PRO A 33 0.579 12.869 -6.311 1.00 1.97 C ATOM 513 CG PRO A 33 -0.780 12.958 -6.911 1.00 2.24 C ATOM 514 CD PRO A 33 -0.584 12.791 -8.393 1.00 2.19 C ATOM 0 HA PRO A 33 2.392 12.122 -7.319 1.00 1.71 H new ATOM 0 HB2 PRO A 33 0.534 12.516 -5.281 1.00 1.97 H new ATOM 0 HB3 PRO A 33 1.069 13.843 -6.294 1.00 1.97 H new ATOM 0 HG2 PRO A 33 -1.435 12.183 -6.513 1.00 2.24 H new ATOM 0 HG3 PRO A 33 -1.246 13.917 -6.684 1.00 2.24 H new ATOM 0 HD2 PRO A 33 -1.445 12.315 -8.862 1.00 2.19 H new ATOM 0 HD3 PRO A 33 -0.440 13.750 -8.891 1.00 2.19 H new ATOM 522 N GLY A 34 2.239 10.212 -5.709 1.00 1.29 N ATOM 523 CA GLY A 34 2.336 8.894 -5.120 1.00 1.05 C ATOM 524 C GLY A 34 3.550 8.141 -5.624 1.00 0.85 C ATOM 525 O GLY A 34 3.955 8.296 -6.778 1.00 0.88 O ATOM 0 H GLY A 34 2.936 10.881 -5.382 1.00 1.29 H new ATOM 0 HA2 GLY A 34 2.388 8.984 -4.035 1.00 1.05 H new ATOM 0 HA3 GLY A 34 1.435 8.326 -5.350 1.00 1.05 H new ATOM 529 N GLN A 35 4.148 7.341 -4.755 1.00 0.74 N ATOM 530 CA GLN A 35 5.323 6.563 -5.117 1.00 0.59 C ATOM 531 C GLN A 35 4.948 5.112 -5.375 1.00 0.52 C ATOM 532 O GLN A 35 4.216 4.500 -4.592 1.00 0.58 O ATOM 533 CB GLN A 35 6.384 6.631 -4.014 1.00 0.58 C ATOM 534 CG GLN A 35 7.265 7.879 -4.048 1.00 0.82 C ATOM 535 CD GLN A 35 6.517 9.166 -3.735 1.00 0.75 C ATOM 536 OE1 GLN A 35 6.416 9.570 -2.584 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.004 9.824 -4.763 1.00 0.78 N ATOM 0 H GLN A 35 3.838 7.213 -3.792 1.00 0.74 H new ATOM 0 HA GLN A 35 5.736 6.992 -6.030 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.885 6.582 -3.046 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.022 5.751 -4.089 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.078 7.758 -3.332 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.720 7.965 -5.035 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.109 9.455 -5.708 1.00 0.78 H new ATOM 0 HE22 GLN A 35 5.504 10.700 -4.610 1.00 0.78 H new ATOM 546 N PHE A 36 5.445 4.566 -6.476 1.00 0.47 N ATOM 547 CA PHE A 36 5.198 3.174 -6.809 1.00 0.43 C ATOM 548 C PHE A 36 6.509 2.402 -6.758 1.00 0.39 C ATOM 549 O PHE A 36 7.560 2.930 -7.136 1.00 0.45 O ATOM 550 CB PHE A 36 4.583 3.048 -8.208 1.00 0.48 C ATOM 551 CG PHE A 36 3.244 3.711 -8.387 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.133 5.092 -8.455 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.095 2.945 -8.514 1.00 0.68 C ATOM 554 CE1 PHE A 36 1.903 5.694 -8.641 1.00 0.83 C ATOM 555 CE2 PHE A 36 0.863 3.544 -8.697 1.00 0.81 C ATOM 556 CZ PHE A 36 0.767 4.919 -8.761 1.00 0.87 C ATOM 0 H PHE A 36 6.021 5.067 -7.152 1.00 0.47 H new ATOM 0 HA PHE A 36 4.495 2.762 -6.085 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.279 3.472 -8.932 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.480 1.990 -8.447 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.018 5.704 -8.362 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.164 1.868 -8.469 1.00 0.68 H new ATOM 0 HE1 PHE A 36 1.831 6.770 -8.692 1.00 0.83 H new ATOM 0 HE2 PHE A 36 -0.025 2.936 -8.790 1.00 0.81 H new ATOM 0 HZ PHE A 36 -0.195 5.388 -8.905 1.00 0.87 H new ATOM 566 N ILE A 37 6.452 1.166 -6.291 1.00 0.36 N ATOM 567 CA ILE A 37 7.639 0.332 -6.215 1.00 0.33 C ATOM 568 C ILE A 37 8.016 -0.140 -7.611 1.00 0.33 C ATOM 569 O ILE A 37 7.336 -0.984 -8.202 1.00 0.38 O ATOM 570 CB ILE A 37 7.436 -0.902 -5.308 1.00 0.34 C ATOM 571 CG1 ILE A 37 6.860 -0.497 -3.941 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.758 -1.640 -5.130 1.00 0.33 C ATOM 573 CD1 ILE A 37 7.760 0.420 -3.139 1.00 0.38 C ATOM 0 H ILE A 37 5.597 0.719 -5.959 1.00 0.36 H new ATOM 0 HA ILE A 37 8.434 0.939 -5.781 1.00 0.33 H new ATOM 0 HB ILE A 37 6.719 -1.567 -5.789 1.00 0.34 H new ATOM 0 HG12 ILE A 37 5.900 -0.004 -4.095 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.666 -1.398 -3.359 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.606 -2.509 -4.489 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.126 -1.966 -6.103 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.488 -0.973 -4.671 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.282 0.659 -2.189 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.712 -0.077 -2.952 1.00 0.38 H new ATOM 0 HD13 ILE A 37 7.935 1.339 -3.699 1.00 0.38 H new ATOM 585 N ARG A 38 9.085 0.430 -8.141 1.00 0.34 N ATOM 586 CA ARG A 38 9.562 0.080 -9.468 1.00 0.41 C ATOM 587 C ARG A 38 10.137 -1.329 -9.470 1.00 0.40 C ATOM 588 O ARG A 38 9.751 -2.167 -10.288 1.00 0.49 O ATOM 589 CB ARG A 38 10.615 1.085 -9.924 1.00 0.50 C ATOM 590 CG ARG A 38 11.210 0.780 -11.288 1.00 0.67 C ATOM 591 CD ARG A 38 12.250 1.815 -11.668 1.00 1.24 C ATOM 592 NE ARG A 38 12.982 1.451 -12.876 1.00 1.56 N ATOM 593 CZ ARG A 38 14.248 1.792 -13.099 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.922 2.476 -12.180 1.00 2.83 N ATOM 595 NH2 ARG A 38 14.845 1.427 -14.226 1.00 2.62 N ATOM 0 H ARG A 38 9.642 1.142 -7.669 1.00 0.34 H new ATOM 0 HA ARG A 38 8.723 0.110 -10.163 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.168 2.079 -9.948 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.418 1.114 -9.187 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.664 -0.211 -11.278 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.419 0.761 -12.038 1.00 0.67 H new ATOM 0 HD2 ARG A 38 11.762 2.778 -11.819 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.953 1.939 -10.844 1.00 1.24 H new ATOM 0 HE ARG A 38 12.497 0.905 -13.588 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.468 2.739 -11.305 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.893 2.738 -12.350 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.333 0.885 -14.922 1.00 2.62 H new ATOM 0 HH22 ARG A 38 15.816 1.689 -14.397 1.00 2.62 H new ATOM 609 N SER A 39 11.046 -1.586 -8.542 1.00 0.36 N ATOM 610 CA SER A 39 11.654 -2.895 -8.412 1.00 0.40 C ATOM 611 C SER A 39 12.328 -3.032 -7.054 1.00 0.32 C ATOM 612 O SER A 39 13.002 -2.115 -6.584 1.00 0.37 O ATOM 613 CB SER A 39 12.664 -3.141 -9.543 1.00 0.54 C ATOM 614 OG SER A 39 13.623 -2.095 -9.627 1.00 1.26 O ATOM 0 H SER A 39 11.378 -0.899 -7.866 1.00 0.36 H new ATOM 0 HA SER A 39 10.869 -3.648 -8.488 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.174 -4.090 -9.376 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.134 -3.227 -10.492 1.00 0.54 H new ATOM 0 HG SER A 39 14.251 -2.284 -10.355 1.00 1.26 H new ATOM 620 N VAL A 40 12.116 -4.164 -6.414 1.00 0.36 N ATOM 621 CA VAL A 40 12.808 -4.479 -5.181 1.00 0.30 C ATOM 622 C VAL A 40 13.984 -5.389 -5.508 1.00 0.31 C ATOM 623 O VAL A 40 13.852 -6.319 -6.308 1.00 0.37 O ATOM 624 CB VAL A 40 11.866 -5.147 -4.146 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.210 -6.391 -4.716 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.614 -5.483 -2.866 1.00 0.32 C ATOM 0 H VAL A 40 11.467 -4.884 -6.729 1.00 0.36 H new ATOM 0 HA VAL A 40 13.164 -3.555 -4.727 1.00 0.30 H new ATOM 0 HB VAL A 40 11.081 -4.429 -3.909 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.556 -6.834 -3.965 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.623 -6.123 -5.595 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.978 -7.111 -4.999 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.930 -5.950 -2.157 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.429 -6.170 -3.091 1.00 0.32 H new ATOM 0 HG23 VAL A 40 13.019 -4.569 -2.431 1.00 0.32 H new ATOM 636 N ASP A 41 15.142 -5.086 -4.937 1.00 0.35 N ATOM 637 CA ASP A 41 16.348 -5.853 -5.213 1.00 0.45 C ATOM 638 C ASP A 41 16.184 -7.277 -4.708 1.00 0.48 C ATOM 639 O ASP A 41 15.804 -7.495 -3.560 1.00 0.51 O ATOM 640 CB ASP A 41 17.573 -5.182 -4.582 1.00 0.54 C ATOM 641 CG ASP A 41 17.914 -3.861 -5.255 1.00 1.27 C ATOM 642 OD1 ASP A 41 17.325 -2.822 -4.877 1.00 2.28 O ATOM 643 OD2 ASP A 41 18.782 -3.850 -6.154 1.00 1.32 O ATOM 0 H ASP A 41 15.271 -4.316 -4.281 1.00 0.35 H new ATOM 0 HA ASP A 41 16.506 -5.885 -6.291 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.386 -5.010 -3.522 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.429 -5.854 -4.650 1.00 0.54 H new ATOM 648 N PRO A 42 16.445 -8.259 -5.580 1.00 0.58 N ATOM 649 CA PRO A 42 16.234 -9.678 -5.277 1.00 0.69 C ATOM 650 C PRO A 42 16.947 -10.133 -4.011 1.00 0.69 C ATOM 651 O PRO A 42 18.140 -9.873 -3.830 1.00 1.17 O ATOM 652 CB PRO A 42 16.813 -10.396 -6.499 1.00 0.84 C ATOM 653 CG PRO A 42 16.755 -9.393 -7.595 1.00 0.93 C ATOM 654 CD PRO A 42 16.964 -8.058 -6.943 1.00 0.69 C ATOM 0 HA PRO A 42 15.181 -9.891 -5.093 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.837 -10.723 -6.317 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.233 -11.285 -6.746 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.524 -9.587 -8.343 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.794 -9.431 -8.108 1.00 0.93 H new ATOM 0 HD2 PRO A 42 18.017 -7.775 -6.934 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.426 -7.267 -7.465 1.00 0.69 H new ATOM 662 N ASP A 43 16.193 -10.802 -3.141 1.00 0.75 N ATOM 663 CA ASP A 43 16.725 -11.373 -1.902 1.00 0.87 C ATOM 664 C ASP A 43 17.262 -10.276 -0.986 1.00 0.70 C ATOM 665 O ASP A 43 18.297 -10.426 -0.342 1.00 0.86 O ATOM 666 CB ASP A 43 17.819 -12.403 -2.212 1.00 1.14 C ATOM 667 CG ASP A 43 18.174 -13.274 -1.022 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.369 -14.163 -0.671 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.262 -13.085 -0.437 1.00 2.40 O ATOM 0 H ASP A 43 15.195 -10.964 -3.274 1.00 0.75 H new ATOM 0 HA ASP A 43 15.912 -11.880 -1.382 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.488 -13.039 -3.033 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.714 -11.882 -2.552 1.00 1.14 H new ATOM 674 N SER A 44 16.568 -9.156 -0.953 1.00 0.57 N ATOM 675 CA SER A 44 16.912 -8.088 -0.035 1.00 0.48 C ATOM 676 C SER A 44 16.026 -8.167 1.198 1.00 0.40 C ATOM 677 O SER A 44 15.015 -8.873 1.183 1.00 0.39 O ATOM 678 CB SER A 44 16.750 -6.723 -0.712 1.00 0.47 C ATOM 679 OG SER A 44 15.415 -6.530 -1.149 1.00 0.46 O ATOM 0 H SER A 44 15.764 -8.962 -1.550 1.00 0.57 H new ATOM 0 HA SER A 44 17.954 -8.203 0.262 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.027 -5.932 -0.015 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.429 -6.651 -1.562 1.00 0.47 H new ATOM 0 HG SER A 44 15.370 -6.638 -2.122 1.00 0.46 H new ATOM 685 N PRO A 45 16.382 -7.478 2.287 1.00 0.43 N ATOM 686 CA PRO A 45 15.503 -7.366 3.446 1.00 0.45 C ATOM 687 C PRO A 45 14.140 -6.796 3.051 1.00 0.38 C ATOM 688 O PRO A 45 13.105 -7.182 3.599 1.00 0.39 O ATOM 689 CB PRO A 45 16.247 -6.411 4.388 1.00 0.57 C ATOM 690 CG PRO A 45 17.340 -5.804 3.573 1.00 0.65 C ATOM 691 CD PRO A 45 17.664 -6.795 2.498 1.00 0.52 C ATOM 0 HA PRO A 45 15.297 -8.332 3.907 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.577 -5.644 4.776 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.651 -6.946 5.247 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.022 -4.854 3.143 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.216 -5.598 4.189 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.016 -6.306 1.590 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.445 -7.488 2.809 1.00 0.52 H new ATOM 699 N ALA A 46 14.150 -5.896 2.071 1.00 0.35 N ATOM 700 CA ALA A 46 12.923 -5.337 1.521 1.00 0.33 C ATOM 701 C ALA A 46 12.099 -6.430 0.853 1.00 0.30 C ATOM 702 O ALA A 46 10.897 -6.543 1.079 1.00 0.31 O ATOM 703 CB ALA A 46 13.245 -4.234 0.524 1.00 0.36 C ATOM 0 H ALA A 46 15.002 -5.538 1.640 1.00 0.35 H new ATOM 0 HA ALA A 46 12.339 -4.909 2.336 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.318 -3.826 0.121 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.803 -3.443 1.025 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.845 -4.642 -0.289 1.00 0.36 H new ATOM 709 N GLU A 47 12.760 -7.246 0.052 1.00 0.31 N ATOM 710 CA GLU A 47 12.112 -8.369 -0.614 1.00 0.33 C ATOM 711 C GLU A 47 11.551 -9.348 0.419 1.00 0.34 C ATOM 712 O GLU A 47 10.417 -9.819 0.301 1.00 0.40 O ATOM 713 CB GLU A 47 13.127 -9.069 -1.516 1.00 0.40 C ATOM 714 CG GLU A 47 12.595 -10.301 -2.221 1.00 0.53 C ATOM 715 CD GLU A 47 11.656 -9.961 -3.356 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.124 -9.457 -4.397 1.00 1.51 O ATOM 717 OE2 GLU A 47 10.441 -10.174 -3.197 1.00 2.01 O ATOM 0 H GLU A 47 13.754 -7.153 -0.156 1.00 0.31 H new ATOM 0 HA GLU A 47 11.283 -8.003 -1.219 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.478 -8.360 -2.266 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.992 -9.354 -0.917 1.00 0.40 H new ATOM 0 HG2 GLU A 47 13.431 -10.883 -2.608 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.074 -10.931 -1.500 1.00 0.53 H new ATOM 724 N ALA A 48 12.345 -9.621 1.447 1.00 0.34 N ATOM 725 CA ALA A 48 11.970 -10.575 2.488 1.00 0.38 C ATOM 726 C ALA A 48 10.833 -10.050 3.362 1.00 0.37 C ATOM 727 O ALA A 48 10.128 -10.827 4.006 1.00 0.47 O ATOM 728 CB ALA A 48 13.181 -10.915 3.343 1.00 0.44 C ATOM 0 H ALA A 48 13.260 -9.192 1.584 1.00 0.34 H new ATOM 0 HA ALA A 48 11.610 -11.478 1.995 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.892 -11.627 4.116 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.957 -11.355 2.716 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.563 -10.007 3.810 1.00 0.44 H new ATOM 734 N SER A 49 10.655 -8.733 3.387 1.00 0.31 N ATOM 735 CA SER A 49 9.606 -8.122 4.185 1.00 0.32 C ATOM 736 C SER A 49 8.248 -8.299 3.510 1.00 0.35 C ATOM 737 O SER A 49 7.200 -8.108 4.131 1.00 0.40 O ATOM 738 CB SER A 49 9.908 -6.636 4.398 1.00 0.32 C ATOM 739 OG SER A 49 9.672 -5.884 3.224 1.00 0.31 O ATOM 0 H SER A 49 11.226 -8.071 2.862 1.00 0.31 H new ATOM 0 HA SER A 49 9.572 -8.616 5.156 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.289 -6.251 5.208 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.947 -6.516 4.705 1.00 0.32 H new ATOM 0 HG SER A 49 9.964 -6.398 2.442 1.00 0.31 H new ATOM 745 N GLY A 50 8.275 -8.672 2.233 1.00 0.36 N ATOM 746 CA GLY A 50 7.046 -8.862 1.490 1.00 0.43 C ATOM 747 C GLY A 50 6.840 -7.794 0.435 1.00 0.43 C ATOM 748 O GLY A 50 5.771 -7.701 -0.162 1.00 0.62 O ATOM 0 H GLY A 50 9.128 -8.846 1.701 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.060 -9.842 1.013 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.202 -8.855 2.180 1.00 0.43 H new ATOM 752 N LEU A 51 7.862 -6.978 0.215 1.00 0.41 N ATOM 753 CA LEU A 51 7.797 -5.930 -0.796 1.00 0.40 C ATOM 754 C LEU A 51 8.045 -6.519 -2.177 1.00 0.48 C ATOM 755 O LEU A 51 9.022 -7.237 -2.391 1.00 0.65 O ATOM 756 CB LEU A 51 8.829 -4.838 -0.500 1.00 0.38 C ATOM 757 CG LEU A 51 8.745 -3.599 -1.394 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.425 -2.875 -1.178 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.915 -2.667 -1.131 1.00 0.37 C ATOM 0 H LEU A 51 8.746 -7.021 0.722 1.00 0.41 H new ATOM 0 HA LEU A 51 6.802 -5.486 -0.773 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.715 -4.525 0.538 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.826 -5.268 -0.596 1.00 0.38 H new ATOM 0 HG LEU A 51 8.794 -3.923 -2.434 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.382 -1.996 -1.822 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.599 -3.544 -1.421 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.346 -2.565 -0.136 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.836 -1.793 -1.777 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.901 -2.350 -0.088 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.849 -3.188 -1.339 1.00 0.37 H new ATOM 771 N ARG A 52 7.146 -6.233 -3.099 1.00 0.53 N ATOM 772 CA ARG A 52 7.286 -6.682 -4.471 1.00 0.65 C ATOM 773 C ARG A 52 7.250 -5.499 -5.415 1.00 0.55 C ATOM 774 O ARG A 52 7.291 -4.346 -4.987 1.00 0.61 O ATOM 775 CB ARG A 52 6.172 -7.666 -4.833 1.00 0.86 C ATOM 776 CG ARG A 52 6.435 -9.093 -4.386 1.00 1.23 C ATOM 777 CD ARG A 52 7.247 -9.878 -5.409 1.00 2.05 C ATOM 778 NE ARG A 52 8.663 -9.500 -5.448 1.00 2.59 N ATOM 779 CZ ARG A 52 9.381 -9.420 -6.570 1.00 3.57 C ATOM 780 NH1 ARG A 52 8.806 -9.626 -7.748 1.00 4.13 N ATOM 781 NH2 ARG A 52 10.679 -9.152 -6.516 1.00 4.38 N ATOM 0 H ARG A 52 6.303 -5.687 -2.920 1.00 0.53 H new ATOM 0 HA ARG A 52 8.246 -7.189 -4.568 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.239 -7.323 -4.386 1.00 0.86 H new ATOM 0 HB3 ARG A 52 6.030 -7.656 -5.914 1.00 0.86 H new ATOM 0 HG2 ARG A 52 6.967 -9.081 -3.435 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.485 -9.599 -4.214 1.00 1.23 H new ATOM 0 HD2 ARG A 52 7.169 -10.942 -5.184 1.00 2.05 H new ATOM 0 HD3 ARG A 52 6.812 -9.729 -6.397 1.00 2.05 H new ATOM 0 HE ARG A 52 9.127 -9.285 -4.565 1.00 2.59 H new ATOM 0 HH11 ARG A 52 7.811 -9.846 -7.798 1.00 4.13 H new ATOM 0 HH12 ARG A 52 9.359 -9.564 -8.603 1.00 4.13 H new ATOM 0 HH21 ARG A 52 11.133 -9.006 -5.614 1.00 4.38 H new ATOM 0 HH22 ARG A 52 11.224 -9.092 -7.376 1.00 4.38 H new ATOM 795 N ALA A 53 7.173 -5.794 -6.698 1.00 0.53 N ATOM 796 CA ALA A 53 7.120 -4.757 -7.714 1.00 0.54 C ATOM 797 C ALA A 53 5.677 -4.470 -8.100 1.00 0.61 C ATOM 798 O ALA A 53 4.820 -5.352 -8.004 1.00 1.44 O ATOM 799 CB ALA A 53 7.936 -5.163 -8.936 1.00 0.68 C ATOM 0 H ALA A 53 7.146 -6.746 -7.064 1.00 0.53 H new ATOM 0 HA ALA A 53 7.554 -3.845 -7.304 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.885 -4.374 -9.686 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.975 -5.319 -8.644 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.533 -6.086 -9.352 1.00 0.68 H new ATOM 805 N GLN A 54 5.424 -3.232 -8.529 1.00 0.65 N ATOM 806 CA GLN A 54 4.085 -2.776 -8.918 1.00 0.74 C ATOM 807 C GLN A 54 3.194 -2.587 -7.691 1.00 0.59 C ATOM 808 O GLN A 54 1.968 -2.669 -7.775 1.00 0.67 O ATOM 809 CB GLN A 54 3.431 -3.731 -9.930 1.00 0.99 C ATOM 810 CG GLN A 54 4.162 -3.801 -11.262 1.00 1.46 C ATOM 811 CD GLN A 54 3.561 -4.819 -12.215 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.946 -5.988 -12.216 1.00 2.99 O ATOM 813 NE2 GLN A 54 2.626 -4.383 -13.044 1.00 3.06 N ATOM 0 H GLN A 54 6.143 -2.514 -8.617 1.00 0.65 H new ATOM 0 HA GLN A 54 4.199 -1.809 -9.408 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.386 -4.730 -9.497 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.403 -3.413 -10.105 1.00 0.99 H new ATOM 0 HG2 GLN A 54 4.145 -2.818 -11.732 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.208 -4.051 -11.084 1.00 1.46 H new ATOM 0 HE21 GLN A 54 2.333 -3.407 -13.014 1.00 3.06 H new ATOM 0 HE22 GLN A 54 2.199 -5.023 -13.713 1.00 3.06 H new ATOM 822 N ASP A 55 3.825 -2.344 -6.551 1.00 0.47 N ATOM 823 CA ASP A 55 3.114 -1.970 -5.333 1.00 0.45 C ATOM 824 C ASP A 55 3.110 -0.454 -5.200 1.00 0.39 C ATOM 825 O ASP A 55 3.982 0.222 -5.750 1.00 0.48 O ATOM 826 CB ASP A 55 3.773 -2.597 -4.096 1.00 0.50 C ATOM 827 CG ASP A 55 3.379 -4.045 -3.867 1.00 0.67 C ATOM 828 OD1 ASP A 55 3.733 -4.907 -4.700 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.708 -4.326 -2.850 1.00 1.01 O ATOM 0 H ASP A 55 4.838 -2.400 -6.442 1.00 0.47 H new ATOM 0 HA ASP A 55 2.091 -2.341 -5.398 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.856 -2.536 -4.201 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.505 -2.012 -3.216 1.00 0.50 H new ATOM 834 N ARG A 56 2.138 0.093 -4.489 1.00 0.38 N ATOM 835 CA ARG A 56 2.059 1.524 -4.316 1.00 0.42 C ATOM 836 C ARG A 56 2.023 1.858 -2.830 1.00 0.39 C ATOM 837 O ARG A 56 1.238 1.282 -2.075 1.00 0.39 O ATOM 838 CB ARG A 56 0.828 2.061 -5.051 1.00 0.56 C ATOM 839 CG ARG A 56 0.834 3.562 -5.247 1.00 0.78 C ATOM 840 CD ARG A 56 0.108 4.262 -4.125 1.00 0.79 C ATOM 841 NE ARG A 56 -1.305 3.904 -4.086 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.105 4.244 -3.091 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.575 4.745 -1.989 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.408 4.018 -3.171 1.00 1.57 N ATOM 0 H ARG A 56 1.398 -0.434 -4.026 1.00 0.38 H new ATOM 0 HA ARG A 56 2.939 2.004 -4.744 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.760 1.578 -6.026 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.066 1.781 -4.494 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.862 3.921 -5.298 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.363 3.809 -6.198 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.574 4.004 -3.174 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.206 5.341 -4.246 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.693 3.367 -4.862 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -0.564 4.863 -1.917 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.176 5.013 -1.210 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.799 3.579 -4.004 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -4.020 4.283 -2.399 1.00 1.57 H new ATOM 858 N ILE A 57 2.890 2.775 -2.418 1.00 0.40 N ATOM 859 CA ILE A 57 3.057 3.103 -1.007 1.00 0.38 C ATOM 860 C ILE A 57 1.878 3.913 -0.475 1.00 0.38 C ATOM 861 O ILE A 57 1.430 4.872 -1.107 1.00 0.49 O ATOM 862 CB ILE A 57 4.381 3.868 -0.770 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.566 2.975 -1.155 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.496 4.320 0.680 1.00 0.45 C ATOM 865 CD1 ILE A 57 6.921 3.606 -0.918 1.00 0.68 C ATOM 0 H ILE A 57 3.492 3.308 -3.046 1.00 0.40 H new ATOM 0 HA ILE A 57 3.094 2.162 -0.459 1.00 0.38 H new ATOM 0 HB ILE A 57 4.389 4.760 -1.396 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.506 2.046 -0.588 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.480 2.711 -2.209 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.435 4.855 0.821 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.663 4.979 0.923 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.473 3.449 1.335 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.704 2.909 -1.216 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.005 4.520 -1.507 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.031 3.845 0.140 1.00 0.68 H new ATOM 877 N VAL A 58 1.366 3.487 0.673 1.00 0.29 N ATOM 878 CA VAL A 58 0.265 4.169 1.331 1.00 0.32 C ATOM 879 C VAL A 58 0.726 4.770 2.657 1.00 0.30 C ATOM 880 O VAL A 58 0.444 5.930 2.953 1.00 0.37 O ATOM 881 CB VAL A 58 -0.914 3.216 1.605 1.00 0.37 C ATOM 882 CG1 VAL A 58 -2.118 3.996 2.106 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.268 2.409 0.364 1.00 0.62 C ATOM 0 H VAL A 58 1.702 2.662 1.170 1.00 0.29 H new ATOM 0 HA VAL A 58 -0.069 4.958 0.657 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.611 2.513 2.381 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.943 3.309 2.295 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.858 4.514 3.029 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.418 4.725 1.353 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.103 1.745 0.588 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.548 3.086 -0.443 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.406 1.817 0.057 1.00 0.62 H new ATOM 893 N GLU A 59 1.437 3.975 3.449 1.00 0.24 N ATOM 894 CA GLU A 59 1.945 4.432 4.742 1.00 0.25 C ATOM 895 C GLU A 59 3.414 4.058 4.905 1.00 0.22 C ATOM 896 O GLU A 59 3.872 3.053 4.359 1.00 0.23 O ATOM 897 CB GLU A 59 1.145 3.838 5.914 1.00 0.29 C ATOM 898 CG GLU A 59 -0.283 4.353 6.039 1.00 0.40 C ATOM 899 CD GLU A 59 -0.923 3.969 7.365 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.753 4.707 8.356 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.602 2.926 7.417 1.00 0.43 O ATOM 0 H GLU A 59 1.676 3.010 3.220 1.00 0.24 H new ATOM 0 HA GLU A 59 1.835 5.516 4.760 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.117 2.754 5.804 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.675 4.050 6.842 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.285 5.438 5.938 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.883 3.956 5.220 1.00 0.40 H new ATOM 908 N VAL A 60 4.144 4.879 5.646 1.00 0.22 N ATOM 909 CA VAL A 60 5.528 4.592 5.993 1.00 0.21 C ATOM 910 C VAL A 60 5.742 4.829 7.482 1.00 0.22 C ATOM 911 O VAL A 60 5.567 5.946 7.968 1.00 0.27 O ATOM 912 CB VAL A 60 6.529 5.465 5.202 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.959 5.170 5.635 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.374 5.253 3.705 1.00 0.66 C ATOM 0 H VAL A 60 3.795 5.760 6.023 1.00 0.22 H new ATOM 0 HA VAL A 60 5.713 3.549 5.734 1.00 0.21 H new ATOM 0 HB VAL A 60 6.309 6.510 5.422 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.648 5.795 5.066 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.069 5.384 6.698 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.186 4.120 5.451 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.090 5.879 3.173 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.559 4.206 3.465 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.362 5.522 3.402 1.00 0.66 H new ATOM 924 N ASN A 61 6.094 3.764 8.197 1.00 0.25 N ATOM 925 CA ASN A 61 6.350 3.823 9.640 1.00 0.30 C ATOM 926 C ASN A 61 5.136 4.362 10.390 1.00 0.36 C ATOM 927 O ASN A 61 5.266 5.073 11.387 1.00 0.47 O ATOM 928 CB ASN A 61 7.583 4.683 9.946 1.00 0.39 C ATOM 929 CG ASN A 61 8.834 4.189 9.242 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.981 2.997 8.962 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.748 5.103 8.954 1.00 0.61 N ATOM 0 H ASN A 61 6.211 2.834 7.796 1.00 0.25 H new ATOM 0 HA ASN A 61 6.544 2.806 9.981 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.386 5.712 9.647 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.756 4.691 11.022 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.611 4.831 8.484 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.589 6.079 9.202 1.00 0.61 H new ATOM 938 N GLY A 62 3.954 4.034 9.889 1.00 0.37 N ATOM 939 CA GLY A 62 2.727 4.432 10.552 1.00 0.50 C ATOM 940 C GLY A 62 2.216 5.785 10.095 1.00 0.51 C ATOM 941 O GLY A 62 1.147 6.226 10.519 1.00 0.66 O ATOM 0 H GLY A 62 3.822 3.497 9.032 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.961 3.679 10.367 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.895 4.458 11.629 1.00 0.50 H new ATOM 945 N VAL A 63 2.979 6.456 9.248 1.00 0.42 N ATOM 946 CA VAL A 63 2.571 7.747 8.718 1.00 0.50 C ATOM 947 C VAL A 63 2.091 7.591 7.283 1.00 0.43 C ATOM 948 O VAL A 63 2.799 7.028 6.450 1.00 0.39 O ATOM 949 CB VAL A 63 3.727 8.766 8.762 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.275 10.117 8.230 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.269 8.899 10.178 1.00 1.17 C ATOM 0 H VAL A 63 3.885 6.128 8.912 1.00 0.42 H new ATOM 0 HA VAL A 63 1.760 8.121 9.343 1.00 0.50 H new ATOM 0 HB VAL A 63 4.529 8.400 8.121 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.107 10.821 8.270 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.941 10.008 7.198 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.453 10.492 8.840 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.084 9.622 10.189 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.474 9.238 10.842 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.638 7.932 10.519 1.00 1.17 H new ATOM 961 N CYS A 64 0.897 8.081 6.998 1.00 0.49 N ATOM 962 CA CYS A 64 0.325 7.945 5.672 1.00 0.49 C ATOM 963 C CYS A 64 1.010 8.896 4.699 1.00 0.47 C ATOM 964 O CYS A 64 1.242 10.067 5.012 1.00 0.51 O ATOM 965 CB CYS A 64 -1.183 8.206 5.707 1.00 0.59 C ATOM 966 SG CYS A 64 -2.026 7.860 4.146 1.00 1.68 S ATOM 0 H CYS A 64 0.306 8.576 7.667 1.00 0.49 H new ATOM 0 HA CYS A 64 0.487 6.923 5.329 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.629 7.595 6.492 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.355 9.248 5.978 1.00 0.59 H new ATOM 0 HG CYS A 64 -1.271 7.106 3.403 1.00 1.68 H new ATOM 972 N MET A 65 1.333 8.381 3.523 1.00 0.48 N ATOM 973 CA MET A 65 2.056 9.140 2.515 1.00 0.53 C ATOM 974 C MET A 65 1.198 9.320 1.268 1.00 0.61 C ATOM 975 O MET A 65 1.708 9.421 0.152 1.00 0.81 O ATOM 976 CB MET A 65 3.363 8.428 2.158 1.00 0.61 C ATOM 977 CG MET A 65 4.285 8.206 3.347 1.00 0.63 C ATOM 978 SD MET A 65 4.699 9.740 4.200 1.00 0.61 S ATOM 979 CE MET A 65 5.834 9.144 5.444 1.00 0.74 C ATOM 0 H MET A 65 1.102 7.428 3.241 1.00 0.48 H new ATOM 0 HA MET A 65 2.289 10.124 2.921 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.129 7.464 1.706 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.891 9.013 1.405 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.808 7.522 4.049 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.202 7.725 3.006 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.164 9.977 6.064 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.334 8.403 6.068 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.697 8.687 4.960 1.00 0.74 H new ATOM 989 N GLU A 66 -0.108 9.368 1.474 1.00 0.83 N ATOM 990 CA GLU A 66 -1.065 9.478 0.380 1.00 1.01 C ATOM 991 C GLU A 66 -1.003 10.866 -0.264 1.00 1.08 C ATOM 992 O GLU A 66 -1.169 11.012 -1.476 1.00 1.86 O ATOM 993 CB GLU A 66 -2.475 9.183 0.908 1.00 1.29 C ATOM 994 CG GLU A 66 -3.567 9.209 -0.148 1.00 2.19 C ATOM 995 CD GLU A 66 -3.357 8.186 -1.244 1.00 3.03 C ATOM 996 OE1 GLU A 66 -3.160 6.996 -0.917 1.00 3.75 O ATOM 997 OE2 GLU A 66 -3.364 8.570 -2.434 1.00 3.33 O ATOM 0 H GLU A 66 -0.535 9.332 2.399 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.812 8.749 -0.390 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.472 8.202 1.384 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.719 9.912 1.681 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.530 9.029 0.329 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.612 10.204 -0.591 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.741 11.881 0.550 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.659 13.237 0.039 1.00 1.36 C ATOM 1006 C GLY A 67 0.752 13.785 0.087 1.00 1.24 C ATOM 1007 O GLY A 67 1.005 14.922 -0.317 1.00 1.47 O ATOM 0 H GLY A 67 -0.584 11.790 1.554 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.020 13.258 -0.989 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.317 13.883 0.621 1.00 1.36 H new ATOM 1011 N LYS A 68 1.672 12.971 0.583 1.00 0.97 N ATOM 1012 CA LYS A 68 3.063 13.377 0.738 1.00 0.87 C ATOM 1013 C LYS A 68 3.797 13.486 -0.591 1.00 0.90 C ATOM 1014 O LYS A 68 3.315 13.043 -1.638 1.00 1.06 O ATOM 1015 CB LYS A 68 3.798 12.388 1.632 1.00 0.73 C ATOM 1016 CG LYS A 68 3.251 12.331 3.037 1.00 1.24 C ATOM 1017 CD LYS A 68 3.267 13.692 3.695 1.00 2.01 C ATOM 1018 CE LYS A 68 2.890 13.579 5.152 1.00 2.81 C ATOM 1019 NZ LYS A 68 3.909 12.815 5.923 1.00 3.36 N ATOM 0 H LYS A 68 1.479 12.017 0.888 1.00 0.97 H new ATOM 0 HA LYS A 68 3.051 14.368 1.192 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.741 11.395 1.187 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.853 12.659 1.671 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.231 11.948 3.016 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.841 11.632 3.630 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.259 14.135 3.603 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.572 14.358 3.184 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.782 14.576 5.579 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.921 13.087 5.241 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 4.051 13.264 6.850 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.581 11.837 6.058 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 4.808 12.809 5.400 1.00 3.36 H new ATOM 1033 N GLN A 69 4.980 14.072 -0.518 1.00 0.87 N ATOM 1034 CA GLN A 69 5.826 14.281 -1.677 1.00 0.93 C ATOM 1035 C GLN A 69 6.994 13.305 -1.647 1.00 0.81 C ATOM 1036 O GLN A 69 7.216 12.646 -0.628 1.00 0.74 O ATOM 1037 CB GLN A 69 6.352 15.714 -1.674 1.00 1.07 C ATOM 1038 CG GLN A 69 5.263 16.761 -1.524 1.00 1.33 C ATOM 1039 CD GLN A 69 5.807 18.084 -1.031 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.885 18.321 0.174 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.184 18.956 -1.951 1.00 2.89 N ATOM 0 H GLN A 69 5.382 14.418 0.354 1.00 0.87 H new ATOM 0 HA GLN A 69 5.243 14.112 -2.582 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.068 15.828 -0.860 1.00 1.07 H new ATOM 0 HB3 GLN A 69 6.893 15.895 -2.603 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.768 16.908 -2.484 1.00 1.33 H new ATOM 0 HG3 GLN A 69 4.506 16.399 -0.828 1.00 1.33 H new ATOM 0 HE21 GLN A 69 6.103 18.721 -2.940 1.00 2.89 H new ATOM 0 HE22 GLN A 69 6.556 19.864 -1.671 1.00 2.89 H new ATOM 1050 N HIS A 70 7.743 13.227 -2.740 1.00 0.84 N ATOM 1051 CA HIS A 70 8.837 12.263 -2.854 1.00 0.79 C ATOM 1052 C HIS A 70 9.823 12.390 -1.691 1.00 0.70 C ATOM 1053 O HIS A 70 10.229 11.391 -1.097 1.00 0.65 O ATOM 1054 CB HIS A 70 9.572 12.462 -4.185 1.00 0.88 C ATOM 1055 CG HIS A 70 10.665 11.466 -4.445 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.983 11.678 -4.094 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.633 10.248 -5.039 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.710 10.644 -4.468 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.916 9.761 -5.039 1.00 1.13 N ATOM 0 H HIS A 70 7.615 13.818 -3.561 1.00 0.84 H new ATOM 0 HA HIS A 70 8.406 11.263 -2.820 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.848 12.408 -4.998 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.999 13.465 -4.204 1.00 0.88 H new ATOM 0 HD2 HIS A 70 9.760 9.753 -5.438 1.00 1.37 H new ATOM 0 HE1 HIS A 70 13.776 10.538 -4.330 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.208 8.861 -5.420 1.00 1.13 H new ATOM 1068 N GLY A 71 10.169 13.625 -1.348 1.00 0.72 N ATOM 1069 CA GLY A 71 11.162 13.867 -0.319 1.00 0.69 C ATOM 1070 C GLY A 71 10.698 13.474 1.069 1.00 0.62 C ATOM 1071 O GLY A 71 11.487 12.962 1.866 1.00 0.62 O ATOM 0 H GLY A 71 9.777 14.468 -1.767 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.069 13.312 -0.562 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.425 14.925 -0.320 1.00 0.69 H new ATOM 1075 N ASP A 72 9.422 13.706 1.359 1.00 0.61 N ATOM 1076 CA ASP A 72 8.873 13.424 2.685 1.00 0.58 C ATOM 1077 C ASP A 72 8.843 11.923 2.937 1.00 0.49 C ATOM 1078 O ASP A 72 9.207 11.453 4.016 1.00 0.44 O ATOM 1079 CB ASP A 72 7.459 14.000 2.818 1.00 0.68 C ATOM 1080 CG ASP A 72 7.039 14.197 4.265 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.446 15.215 4.868 1.00 2.03 O ATOM 1082 OD2 ASP A 72 6.285 13.355 4.796 1.00 1.47 O ATOM 0 H ASP A 72 8.748 14.088 0.696 1.00 0.61 H new ATOM 0 HA ASP A 72 9.516 13.897 3.427 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.410 14.956 2.297 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.752 13.332 2.326 1.00 0.68 H new ATOM 1087 N VAL A 73 8.433 11.174 1.920 1.00 0.50 N ATOM 1088 CA VAL A 73 8.322 9.724 2.029 1.00 0.45 C ATOM 1089 C VAL A 73 9.697 9.074 2.159 1.00 0.44 C ATOM 1090 O VAL A 73 9.919 8.238 3.036 1.00 0.43 O ATOM 1091 CB VAL A 73 7.597 9.133 0.801 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.460 7.622 0.920 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.234 9.778 0.623 1.00 0.97 C ATOM 0 H VAL A 73 8.171 11.548 1.008 1.00 0.50 H new ATOM 0 HA VAL A 73 7.742 9.512 2.927 1.00 0.45 H new ATOM 0 HB VAL A 73 8.201 9.349 -0.081 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.946 7.233 0.041 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.450 7.171 0.990 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.886 7.378 1.814 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.739 9.348 -0.248 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.628 9.598 1.511 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.356 10.851 0.478 1.00 0.97 H new ATOM 1103 N VAL A 74 10.626 9.483 1.302 1.00 0.49 N ATOM 1104 CA VAL A 74 11.969 8.915 1.303 1.00 0.53 C ATOM 1105 C VAL A 74 12.693 9.222 2.611 1.00 0.51 C ATOM 1106 O VAL A 74 13.404 8.373 3.154 1.00 0.52 O ATOM 1107 CB VAL A 74 12.801 9.434 0.107 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.244 8.958 0.186 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.178 8.988 -1.206 1.00 0.70 C ATOM 0 H VAL A 74 10.474 10.205 0.598 1.00 0.49 H new ATOM 0 HA VAL A 74 11.862 7.835 1.206 1.00 0.53 H new ATOM 0 HB VAL A 74 12.800 10.523 0.151 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.801 9.341 -0.669 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.698 9.324 1.107 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.269 7.868 0.177 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.776 9.361 -2.038 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.146 7.899 -1.242 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.165 9.383 -1.281 1.00 0.70 H new ATOM 1119 N SER A 75 12.490 10.429 3.130 1.00 0.51 N ATOM 1120 CA SER A 75 13.133 10.836 4.367 1.00 0.52 C ATOM 1121 C SER A 75 12.580 10.036 5.546 1.00 0.47 C ATOM 1122 O SER A 75 13.321 9.666 6.455 1.00 0.51 O ATOM 1123 CB SER A 75 12.943 12.336 4.604 1.00 0.58 C ATOM 1124 OG SER A 75 13.731 12.791 5.693 1.00 0.66 O ATOM 0 H SER A 75 11.887 11.138 2.712 1.00 0.51 H new ATOM 0 HA SER A 75 14.201 10.633 4.281 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.213 12.886 3.702 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.892 12.545 4.801 1.00 0.58 H new ATOM 0 HG SER A 75 13.590 13.753 5.819 1.00 0.66 H new ATOM 1130 N ALA A 76 11.283 9.747 5.509 1.00 0.42 N ATOM 1131 CA ALA A 76 10.635 8.992 6.576 1.00 0.39 C ATOM 1132 C ALA A 76 11.198 7.579 6.666 1.00 0.37 C ATOM 1133 O ALA A 76 11.408 7.056 7.761 1.00 0.39 O ATOM 1134 CB ALA A 76 9.131 8.950 6.361 1.00 0.39 C ATOM 0 H ALA A 76 10.659 10.024 4.751 1.00 0.42 H new ATOM 0 HA ALA A 76 10.839 9.499 7.519 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.664 8.383 7.166 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.736 9.966 6.356 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.913 8.471 5.406 1.00 0.39 H new ATOM 1140 N ILE A 77 11.451 6.972 5.508 1.00 0.37 N ATOM 1141 CA ILE A 77 12.039 5.636 5.442 1.00 0.39 C ATOM 1142 C ILE A 77 13.391 5.613 6.154 1.00 0.41 C ATOM 1143 O ILE A 77 13.709 4.684 6.903 1.00 0.44 O ATOM 1144 CB ILE A 77 12.231 5.203 3.971 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.888 5.217 3.241 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.872 3.823 3.888 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.013 5.040 1.745 1.00 0.69 C ATOM 0 H ILE A 77 11.256 7.388 4.597 1.00 0.37 H new ATOM 0 HA ILE A 77 11.359 4.942 5.936 1.00 0.39 H new ATOM 0 HB ILE A 77 12.902 5.913 3.487 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.258 4.423 3.641 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.382 6.160 3.446 1.00 0.53 H new ATOM 0 HG21 ILE A 77 12.996 3.542 2.842 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.846 3.844 4.376 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.233 3.094 4.386 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.022 5.060 1.292 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.617 5.848 1.332 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.491 4.084 1.530 1.00 0.69 H new ATOM 1159 N ARG A 78 14.170 6.659 5.930 1.00 0.43 N ATOM 1160 CA ARG A 78 15.481 6.790 6.545 1.00 0.50 C ATOM 1161 C ARG A 78 15.370 7.159 8.023 1.00 0.50 C ATOM 1162 O ARG A 78 16.207 6.761 8.837 1.00 0.56 O ATOM 1163 CB ARG A 78 16.297 7.840 5.798 1.00 0.58 C ATOM 1164 CG ARG A 78 16.823 7.357 4.457 1.00 0.66 C ATOM 1165 CD ARG A 78 17.384 8.505 3.632 1.00 0.89 C ATOM 1166 NE ARG A 78 18.223 9.400 4.429 1.00 1.59 N ATOM 1167 CZ ARG A 78 18.813 10.495 3.953 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.795 10.759 2.649 1.00 2.12 N ATOM 1169 NH2 ARG A 78 19.451 11.310 4.783 1.00 3.09 N ATOM 0 H ARG A 78 13.914 7.436 5.321 1.00 0.43 H new ATOM 0 HA ARG A 78 15.985 5.826 6.482 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.679 8.724 5.640 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.138 8.146 6.420 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.600 6.609 4.618 1.00 0.66 H new ATOM 0 HG3 ARG A 78 16.020 6.869 3.905 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.968 8.104 2.804 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.562 9.073 3.196 1.00 0.89 H new ATOM 0 HE ARG A 78 18.365 9.171 5.413 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.327 10.121 2.006 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.249 11.600 2.293 1.00 2.12 H new ATOM 0 HH21 ARG A 78 19.488 11.096 5.780 1.00 3.09 H new ATOM 0 HH22 ARG A 78 19.905 12.150 4.424 1.00 3.09 H new ATOM 1183 N ALA A 79 14.327 7.906 8.365 1.00 0.47 N ATOM 1184 CA ALA A 79 14.111 8.345 9.740 1.00 0.51 C ATOM 1185 C ALA A 79 13.446 7.252 10.574 1.00 0.43 C ATOM 1186 O ALA A 79 13.093 7.470 11.732 1.00 0.46 O ATOM 1187 CB ALA A 79 13.273 9.617 9.766 1.00 0.65 C ATOM 0 H ALA A 79 13.615 8.222 7.707 1.00 0.47 H new ATOM 0 HA ALA A 79 15.085 8.556 10.181 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.121 9.931 10.799 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.791 10.405 9.219 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.307 9.426 9.299 1.00 0.65 H new ATOM 1193 N GLY A 80 13.278 6.076 9.980 1.00 0.41 N ATOM 1194 CA GLY A 80 12.709 4.956 10.704 1.00 0.42 C ATOM 1195 C GLY A 80 13.706 4.333 11.662 1.00 0.46 C ATOM 1196 O GLY A 80 13.341 3.543 12.530 1.00 0.60 O ATOM 0 H GLY A 80 13.526 5.879 9.010 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.833 5.291 11.260 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.368 4.202 9.995 1.00 0.42 H new ATOM 1200 N GLY A 81 14.973 4.695 11.504 1.00 0.49 N ATOM 1201 CA GLY A 81 16.012 4.158 12.354 1.00 0.63 C ATOM 1202 C GLY A 81 16.920 3.216 11.599 1.00 0.64 C ATOM 1203 O GLY A 81 17.673 3.643 10.720 1.00 1.10 O ATOM 0 H GLY A 81 15.298 5.355 10.797 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.601 4.976 12.770 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.559 3.632 13.194 1.00 0.63 H new ATOM 1207 N ASP A 82 16.849 1.939 11.932 1.00 0.43 N ATOM 1208 CA ASP A 82 17.643 0.925 11.250 1.00 0.44 C ATOM 1209 C ASP A 82 16.742 -0.040 10.499 1.00 0.39 C ATOM 1210 O ASP A 82 17.215 -0.903 9.765 1.00 0.55 O ATOM 1211 CB ASP A 82 18.531 0.164 12.236 1.00 0.55 C ATOM 1212 CG ASP A 82 19.670 1.012 12.764 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.695 1.145 12.061 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.550 1.547 13.887 1.00 1.97 O ATOM 0 H ASP A 82 16.249 1.576 12.672 1.00 0.43 H new ATOM 0 HA ASP A 82 18.289 1.432 10.533 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.924 -0.185 13.072 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.938 -0.721 11.746 1.00 0.55 H new ATOM 1219 N GLU A 83 15.442 0.110 10.697 1.00 0.38 N ATOM 1220 CA GLU A 83 14.455 -0.645 9.950 1.00 0.39 C ATOM 1221 C GLU A 83 13.239 0.232 9.677 1.00 0.38 C ATOM 1222 O GLU A 83 13.000 1.213 10.385 1.00 0.53 O ATOM 1223 CB GLU A 83 14.074 -1.942 10.684 1.00 0.47 C ATOM 1224 CG GLU A 83 13.693 -1.776 12.147 1.00 0.86 C ATOM 1225 CD GLU A 83 12.286 -1.242 12.354 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.318 -1.918 11.949 1.00 2.11 O ATOM 1227 OE2 GLU A 83 12.143 -0.154 12.952 1.00 2.00 O ATOM 0 H GLU A 83 15.045 0.757 11.378 1.00 0.38 H new ATOM 0 HA GLU A 83 14.884 -0.943 8.993 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.238 -2.405 10.159 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.913 -2.635 10.621 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.784 -2.739 12.649 1.00 0.86 H new ATOM 0 HG3 GLU A 83 14.403 -1.100 12.624 1.00 0.86 H new ATOM 1234 N THR A 84 12.485 -0.111 8.653 1.00 0.27 N ATOM 1235 CA THR A 84 11.352 0.698 8.238 1.00 0.26 C ATOM 1236 C THR A 84 10.167 -0.196 7.902 1.00 0.22 C ATOM 1237 O THR A 84 10.339 -1.351 7.500 1.00 0.21 O ATOM 1238 CB THR A 84 11.702 1.592 7.020 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.673 2.571 6.792 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.875 0.760 5.763 1.00 0.30 C ATOM 0 H THR A 84 12.635 -0.948 8.089 1.00 0.27 H new ATOM 0 HA THR A 84 11.090 1.353 9.069 1.00 0.26 H new ATOM 0 HB THR A 84 12.641 2.096 7.249 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.132 2.672 7.603 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.120 1.413 4.925 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.681 0.041 5.910 1.00 0.30 H new ATOM 0 HG23 THR A 84 10.949 0.227 5.549 1.00 0.30 H new ATOM 1248 N LYS A 85 8.971 0.321 8.112 1.00 0.24 N ATOM 1249 CA LYS A 85 7.767 -0.409 7.787 1.00 0.23 C ATOM 1250 C LYS A 85 7.010 0.312 6.690 1.00 0.23 C ATOM 1251 O LYS A 85 6.565 1.449 6.867 1.00 0.26 O ATOM 1252 CB LYS A 85 6.896 -0.559 9.029 1.00 0.28 C ATOM 1253 CG LYS A 85 7.569 -1.359 10.128 1.00 0.37 C ATOM 1254 CD LYS A 85 6.744 -1.374 11.396 1.00 0.50 C ATOM 1255 CE LYS A 85 7.429 -2.182 12.486 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.743 -1.600 12.876 1.00 1.63 N ATOM 0 H LYS A 85 8.810 1.247 8.508 1.00 0.24 H new ATOM 0 HA LYS A 85 8.035 -1.404 7.431 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.642 0.430 9.410 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.960 -1.045 8.754 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.730 -2.382 9.787 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.551 -0.934 10.338 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.585 -0.353 11.742 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.761 -1.797 11.189 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.781 -2.231 13.361 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.575 -3.205 12.140 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.958 -1.858 13.860 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.486 -1.971 12.250 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.703 -0.564 12.790 1.00 1.63 H new ATOM 1270 N LEU A 86 6.876 -0.344 5.557 1.00 0.22 N ATOM 1271 CA LEU A 86 6.190 0.236 4.422 1.00 0.22 C ATOM 1272 C LEU A 86 4.849 -0.444 4.229 1.00 0.22 C ATOM 1273 O LEU A 86 4.762 -1.670 4.225 1.00 0.27 O ATOM 1274 CB LEU A 86 7.032 0.097 3.145 1.00 0.24 C ATOM 1275 CG LEU A 86 8.439 0.701 3.209 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.175 0.480 1.894 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.373 2.184 3.536 1.00 0.28 C ATOM 0 H LEU A 86 7.236 -1.285 5.397 1.00 0.22 H new ATOM 0 HA LEU A 86 6.035 1.297 4.619 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.122 -0.962 2.904 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.492 0.566 2.323 1.00 0.24 H new ATOM 0 HG LEU A 86 8.990 0.198 4.004 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.172 0.915 1.958 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.258 -0.589 1.698 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.623 0.955 1.083 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.383 2.593 3.577 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.803 2.702 2.765 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.886 2.322 4.501 1.00 0.28 H new ATOM 1289 N LEU A 87 3.805 0.348 4.083 1.00 0.20 N ATOM 1290 CA LEU A 87 2.490 -0.188 3.803 1.00 0.21 C ATOM 1291 C LEU A 87 2.166 0.051 2.344 1.00 0.21 C ATOM 1292 O LEU A 87 2.045 1.196 1.907 1.00 0.26 O ATOM 1293 CB LEU A 87 1.429 0.477 4.676 1.00 0.27 C ATOM 1294 CG LEU A 87 0.016 -0.078 4.497 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.120 -1.422 5.189 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.015 0.903 5.019 1.00 0.45 C ATOM 0 H LEU A 87 3.843 1.365 4.154 1.00 0.20 H new ATOM 0 HA LEU A 87 2.491 -1.256 4.023 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.718 0.368 5.721 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.416 1.545 4.458 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.164 -0.223 3.432 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.132 -1.802 5.051 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.593 -2.126 4.760 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.081 -1.305 6.254 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.014 0.488 4.882 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.840 1.085 6.079 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.934 1.842 4.472 1.00 0.45 H new ATOM 1308 N VAL A 88 2.033 -1.023 1.595 1.00 0.20 N ATOM 1309 CA VAL A 88 1.817 -0.921 0.165 1.00 0.23 C ATOM 1310 C VAL A 88 0.599 -1.724 -0.271 1.00 0.24 C ATOM 1311 O VAL A 88 0.138 -2.618 0.442 1.00 0.27 O ATOM 1312 CB VAL A 88 3.059 -1.388 -0.629 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.197 -0.394 -0.476 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.506 -2.769 -0.174 1.00 0.33 C ATOM 0 H VAL A 88 2.070 -1.978 1.952 1.00 0.20 H new ATOM 0 HA VAL A 88 1.639 0.132 -0.053 1.00 0.23 H new ATOM 0 HB VAL A 88 2.782 -1.444 -1.682 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.062 -0.741 -1.042 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.883 0.579 -0.853 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.464 -0.306 0.577 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.381 -3.075 -0.747 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.759 -2.739 0.886 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.699 -3.484 -0.334 1.00 0.33 H new ATOM 1324 N VAL A 89 0.065 -1.369 -1.428 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.065 -2.071 -2.013 1.00 0.27 C ATOM 1326 C VAL A 89 -0.752 -2.455 -3.451 1.00 0.34 C ATOM 1327 O VAL A 89 0.027 -1.776 -4.123 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.350 -1.208 -1.987 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.803 -0.954 -0.557 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.139 0.112 -2.719 1.00 0.30 C ATOM 0 H VAL A 89 0.403 -0.586 -1.988 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.239 -2.966 -1.416 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.133 -1.763 -2.504 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.707 -0.346 -0.564 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.010 -1.905 -0.066 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.017 -0.429 -0.014 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.058 0.698 -2.685 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.335 0.670 -2.239 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.873 -0.086 -3.757 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.345 -3.547 -3.907 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.155 -4.004 -5.278 1.00 0.51 C ATOM 1342 C ASP A 90 -2.191 -3.362 -6.188 1.00 0.48 C ATOM 1343 O ASP A 90 -3.076 -2.650 -5.715 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.249 -5.527 -5.367 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.621 -6.041 -5.008 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.474 -6.137 -5.907 1.00 1.86 O ATOM 1347 OD2 ASP A 90 -2.849 -6.344 -3.820 1.00 1.92 O ATOM 0 H ASP A 90 -1.963 -4.135 -3.348 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.158 -3.706 -5.602 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -0.998 -5.845 -6.379 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.511 -5.973 -4.700 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.089 -3.636 -7.483 1.00 0.57 N ATOM 1353 CA ARG A 91 -2.904 -2.959 -8.489 1.00 0.61 C ATOM 1354 C ARG A 91 -4.406 -3.083 -8.216 1.00 0.55 C ATOM 1355 O ARG A 91 -5.114 -2.077 -8.191 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.596 -3.535 -9.871 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.423 -2.926 -10.991 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.479 -3.851 -12.193 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.023 -5.161 -11.834 1.00 2.25 N ATOM 1360 CZ ARG A 91 -5.110 -5.697 -12.390 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -5.743 -5.063 -13.372 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.559 -6.872 -11.967 1.00 4.16 N ATOM 0 H ARG A 91 -1.445 -4.328 -7.865 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.650 -1.900 -8.446 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.539 -3.383 -10.090 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.766 -4.611 -9.851 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.433 -2.727 -10.634 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -2.994 -1.968 -11.285 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.094 -3.401 -12.972 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -2.478 -3.972 -12.608 1.00 1.44 H new ATOM 0 HE ARG A 91 -3.541 -5.698 -11.113 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -5.398 -4.162 -13.703 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -6.574 -5.477 -13.794 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -5.073 -7.364 -11.217 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.390 -7.283 -12.391 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.887 -4.299 -7.973 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.325 -4.523 -7.841 1.00 0.61 C ATOM 1378 C GLU A 92 -6.839 -4.012 -6.505 1.00 0.51 C ATOM 1379 O GLU A 92 -7.965 -3.518 -6.408 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.682 -5.997 -8.040 1.00 0.74 C ATOM 1381 CG GLU A 92 -6.153 -6.939 -6.974 1.00 1.44 C ATOM 1382 CD GLU A 92 -6.504 -8.385 -7.261 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -7.676 -8.770 -7.050 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -5.608 -9.152 -7.675 1.00 2.26 O ATOM 0 H GLU A 92 -4.312 -5.135 -7.865 1.00 0.57 H new ATOM 0 HA GLU A 92 -6.819 -3.955 -8.630 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -7.767 -6.090 -8.078 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.300 -6.319 -9.009 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -5.070 -6.837 -6.906 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -6.561 -6.654 -6.005 1.00 1.44 H new ATOM 1391 N THR A 93 -6.010 -4.128 -5.482 1.00 0.44 N ATOM 1392 CA THR A 93 -6.318 -3.551 -4.182 1.00 0.38 C ATOM 1393 C THR A 93 -6.369 -2.028 -4.282 1.00 0.33 C ATOM 1394 O THR A 93 -7.258 -1.382 -3.721 1.00 0.37 O ATOM 1395 CB THR A 93 -5.274 -3.962 -3.131 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.204 -5.391 -3.049 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.610 -3.391 -1.763 1.00 0.36 C ATOM 0 H THR A 93 -5.116 -4.617 -5.525 1.00 0.44 H new ATOM 0 HA THR A 93 -7.291 -3.930 -3.870 1.00 0.38 H new ATOM 0 HB THR A 93 -4.309 -3.561 -3.441 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.268 -5.668 -2.965 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.852 -3.701 -1.043 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.634 -2.303 -1.819 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.585 -3.760 -1.444 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.418 -1.463 -5.020 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.373 -0.025 -5.249 1.00 0.39 C ATOM 1407 C ASP A 94 -6.620 0.421 -5.999 1.00 0.43 C ATOM 1408 O ASP A 94 -7.176 1.482 -5.717 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.108 0.358 -6.031 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.023 1.842 -6.340 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -3.887 2.641 -5.394 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.088 2.220 -7.530 1.00 1.18 O ATOM 0 H ASP A 94 -4.665 -1.983 -5.471 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.343 0.482 -4.285 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.230 0.062 -5.457 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.082 -0.203 -6.965 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.067 -0.409 -6.941 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.304 -0.153 -7.670 1.00 0.49 C ATOM 1419 C GLU A 95 -9.508 -0.261 -6.744 1.00 0.45 C ATOM 1420 O GLU A 95 -10.475 0.477 -6.892 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.480 -1.138 -8.832 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.408 -1.059 -9.904 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.602 -2.113 -10.976 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.240 -3.285 -10.740 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -8.104 -1.773 -12.067 1.00 1.23 O ATOM 0 H GLU A 95 -6.588 -1.266 -7.216 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.239 0.859 -8.069 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.498 -2.151 -8.431 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.451 -0.961 -9.295 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -7.424 -0.069 -10.361 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -6.427 -1.183 -9.446 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.448 -1.178 -5.792 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.532 -1.338 -4.836 1.00 0.41 C ATOM 1434 C PHE A 96 -10.692 -0.077 -4.004 1.00 0.36 C ATOM 1435 O PHE A 96 -11.788 0.468 -3.888 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.262 -2.536 -3.922 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.178 -2.618 -2.731 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.459 -3.135 -2.861 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -10.759 -2.184 -1.486 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.303 -3.214 -1.770 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.599 -2.260 -0.391 1.00 0.62 C ATOM 1442 CZ PHE A 96 -12.868 -2.759 -0.528 1.00 0.72 C ATOM 0 H PHE A 96 -8.666 -1.819 -5.661 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.455 -1.516 -5.387 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.357 -3.453 -4.504 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.231 -2.487 -3.571 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.800 -3.480 -3.826 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -9.764 -1.781 -1.368 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.295 -3.627 -1.880 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.254 -1.925 0.576 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.529 -2.799 0.325 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.588 0.401 -3.464 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.608 1.561 -2.591 1.00 0.32 C ATOM 1454 C PHE A 97 -9.969 2.836 -3.342 1.00 0.39 C ATOM 1455 O PHE A 97 -10.701 3.677 -2.824 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.259 1.711 -1.892 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.131 0.860 -0.654 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.579 1.318 0.576 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.550 -0.395 -0.722 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.452 0.536 1.710 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.419 -1.181 0.409 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.920 -0.707 1.638 1.00 0.35 C ATOM 0 H PHE A 97 -8.661 0.003 -3.615 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.384 1.401 -1.843 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.465 1.447 -2.590 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.112 2.757 -1.622 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.032 2.296 0.649 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.194 -0.766 -1.672 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.781 0.921 2.664 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.938 -2.146 0.351 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.880 -1.332 2.518 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.465 2.972 -4.562 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.687 4.183 -5.343 1.00 0.53 C ATOM 1474 C LYS A 98 -11.159 4.374 -5.687 1.00 0.56 C ATOM 1475 O LYS A 98 -11.714 5.450 -5.488 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.858 4.165 -6.618 1.00 0.63 C ATOM 1477 CG LYS A 98 -9.113 2.978 -7.482 1.00 0.85 C ATOM 1478 CD LYS A 98 -8.439 3.101 -8.848 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.944 2.794 -8.802 1.00 1.31 C ATOM 1480 NZ LYS A 98 -6.185 3.721 -7.924 1.00 1.92 N ATOM 0 H LYS A 98 -8.902 2.262 -5.031 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.372 5.023 -4.724 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.066 5.070 -7.189 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -7.801 4.191 -6.354 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -8.751 2.081 -6.980 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -10.187 2.855 -7.619 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -8.923 2.421 -9.549 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -8.586 4.111 -9.231 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -6.800 1.772 -8.452 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -6.537 2.845 -9.812 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.165 3.574 -8.063 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -6.429 4.703 -8.163 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.429 3.536 -6.930 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.787 3.325 -6.195 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.193 3.389 -6.564 1.00 0.63 C ATOM 1496 C LYS A 99 -14.063 3.544 -5.321 1.00 0.63 C ATOM 1497 O LYS A 99 -15.107 4.193 -5.353 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.607 2.129 -7.326 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.389 0.854 -6.529 1.00 0.60 C ATOM 1500 CD LYS A 99 -13.929 -0.363 -7.243 1.00 0.76 C ATOM 1501 CE LYS A 99 -13.688 -1.623 -6.429 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.505 -1.666 -5.185 1.00 2.04 N ATOM 0 H LYS A 99 -11.346 2.420 -6.361 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.335 4.256 -7.209 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.660 2.205 -7.598 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.041 2.071 -8.256 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.323 0.721 -6.343 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.873 0.948 -5.557 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.997 -0.240 -7.422 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.451 -0.459 -8.218 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -13.918 -2.496 -7.040 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -12.632 -1.686 -6.168 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.367 -2.581 -4.711 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -14.209 -0.898 -4.549 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.510 -1.549 -5.425 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.623 2.925 -4.236 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.303 3.030 -2.953 1.00 0.60 C ATOM 1518 C CYS A 100 -14.056 4.385 -2.280 1.00 0.61 C ATOM 1519 O CYS A 100 -14.683 4.706 -1.271 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.845 1.885 -2.048 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.496 0.267 -2.533 1.00 1.39 S ATOM 0 H CYS A 100 -12.789 2.338 -4.219 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.377 2.957 -3.126 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.756 1.844 -2.052 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.152 2.098 -1.024 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.798 -0.670 -1.964 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.136 5.170 -2.860 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.778 6.501 -2.355 1.00 0.65 C ATOM 1529 C ARG A 101 -12.333 6.451 -0.898 1.00 0.64 C ATOM 1530 O ARG A 101 -12.545 7.395 -0.141 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.939 7.491 -2.505 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.030 8.155 -3.869 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.436 7.178 -4.955 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.563 7.827 -6.258 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.244 7.316 -7.280 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -15.833 6.133 -7.164 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.314 7.979 -8.426 1.00 4.09 N ATOM 0 H ARG A 101 -12.618 4.897 -3.695 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.941 6.848 -2.961 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.874 6.967 -2.307 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.840 8.265 -1.744 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.753 8.970 -3.827 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.066 8.596 -4.121 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -13.697 6.379 -5.019 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.385 6.713 -4.688 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.101 8.727 -6.392 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -15.764 5.613 -6.289 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -16.355 5.744 -7.949 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -14.846 8.880 -8.523 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -15.836 7.588 -9.210 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.702 5.357 -0.518 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.262 5.179 0.852 1.00 0.57 C ATOM 1553 C VAL A 102 -9.749 4.993 0.900 1.00 0.49 C ATOM 1554 O VAL A 102 -9.160 4.374 0.015 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.995 3.992 1.529 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.841 2.714 0.720 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.508 3.786 2.958 1.00 1.42 C ATOM 0 H VAL A 102 -11.483 4.578 -1.139 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.516 6.078 1.413 1.00 0.57 H new ATOM 0 HB VAL A 102 -13.055 4.242 1.566 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.366 1.901 1.221 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.263 2.860 -0.274 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.784 2.464 0.633 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -12.040 2.947 3.406 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.439 3.575 2.951 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.696 4.688 3.540 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.125 5.563 1.917 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.678 5.520 2.054 1.00 0.50 C ATOM 1569 C ILE A 103 -7.244 4.249 2.781 1.00 0.43 C ATOM 1570 O ILE A 103 -7.757 3.937 3.858 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.162 6.759 2.825 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.641 8.049 2.147 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.641 6.746 2.925 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.157 8.211 0.720 1.00 1.33 C ATOM 0 H ILE A 103 -9.602 6.065 2.666 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.248 5.523 1.052 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.569 6.722 3.836 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.731 8.068 2.155 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.303 8.903 2.734 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.305 7.627 3.471 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.319 5.848 3.452 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.210 6.754 1.924 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.538 9.147 0.311 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.067 8.225 0.705 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.517 7.378 0.117 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.311 3.486 2.184 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.760 2.278 2.801 1.00 0.37 C ATOM 1588 C PRO A 104 -4.965 2.609 4.053 1.00 0.37 C ATOM 1589 O PRO A 104 -4.462 3.722 4.193 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.839 1.688 1.723 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.193 2.400 0.459 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.719 3.746 0.866 1.00 0.44 C ATOM 0 HA PRO A 104 -6.543 1.587 3.115 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.790 1.840 1.978 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.991 0.613 1.623 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.321 2.503 -0.187 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.943 1.844 -0.104 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.924 4.490 0.920 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.459 4.121 0.158 1.00 0.44 H new ATOM 1600 N SER A 105 -4.848 1.652 4.962 1.00 0.32 N ATOM 1601 CA SER A 105 -4.165 1.907 6.220 1.00 0.34 C ATOM 1602 C SER A 105 -3.910 0.623 6.995 1.00 0.34 C ATOM 1603 O SER A 105 -4.452 -0.436 6.660 1.00 0.33 O ATOM 1604 CB SER A 105 -4.999 2.858 7.073 1.00 0.43 C ATOM 1605 OG SER A 105 -6.314 2.349 7.243 1.00 1.42 O ATOM 0 H SER A 105 -5.212 0.705 4.854 1.00 0.32 H new ATOM 0 HA SER A 105 -3.200 2.357 5.989 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.526 2.993 8.046 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.041 3.839 6.600 1.00 0.43 H new ATOM 0 HG SER A 105 -6.514 1.713 6.525 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.086 0.737 8.030 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.815 -0.357 8.959 1.00 0.43 C ATOM 1613 C GLN A 106 -4.105 -0.875 9.598 1.00 0.45 C ATOM 1614 O GLN A 106 -4.208 -2.052 9.945 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.845 0.111 10.041 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.518 0.607 9.494 1.00 0.68 C ATOM 1617 CD GLN A 106 0.280 1.359 10.535 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.081 0.774 11.267 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.071 2.664 10.611 1.00 1.42 N ATOM 0 H GLN A 106 -2.583 1.596 8.251 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.365 -1.177 8.398 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.313 0.910 10.616 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.659 -0.712 10.731 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.065 -0.241 9.134 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.699 1.256 8.638 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.601 3.110 9.987 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.582 3.223 11.294 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.089 0.008 9.741 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.388 -0.364 10.295 1.00 0.51 C ATOM 1630 C GLU A 107 -7.030 -1.463 9.451 1.00 0.42 C ATOM 1631 O GLU A 107 -7.729 -2.332 9.962 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.315 0.851 10.330 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.754 2.033 11.106 1.00 1.41 C ATOM 1634 CD GLU A 107 -6.528 1.720 12.567 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -7.512 1.710 13.338 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -5.367 1.482 12.952 1.00 2.82 O ATOM 0 H GLU A 107 -5.011 0.991 9.480 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.235 -0.732 11.309 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.523 1.166 9.308 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.267 0.557 10.773 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -5.811 2.343 10.655 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.440 2.876 11.022 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.760 -1.424 8.154 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.312 -2.384 7.214 1.00 0.37 C ATOM 1645 C HIS A 108 -6.567 -3.717 7.285 1.00 0.46 C ATOM 1646 O HIS A 108 -7.025 -4.721 6.746 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.278 -1.786 5.804 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.271 -0.676 5.632 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.938 0.658 5.726 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.606 -0.709 5.404 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.021 1.393 5.561 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.053 0.592 5.368 1.00 0.52 N ATOM 0 H HIS A 108 -6.152 -0.726 7.726 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.349 -2.593 7.478 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.276 -1.410 5.595 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.483 -2.570 5.074 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.210 -1.595 5.274 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.058 2.472 5.581 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.018 0.887 5.218 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.409 -3.712 7.939 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.615 -4.926 8.112 1.00 0.70 C ATOM 1663 C LEU A 109 -5.228 -5.837 9.167 1.00 0.79 C ATOM 1664 O LEU A 109 -5.250 -7.054 9.014 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.190 -4.583 8.536 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.402 -3.723 7.558 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.072 -3.334 8.165 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.193 -4.467 6.253 1.00 0.67 C ATOM 0 H LEU A 109 -4.998 -2.878 8.359 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.601 -5.442 7.152 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.230 -4.067 9.495 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.644 -5.513 8.696 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.969 -2.816 7.350 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.515 -2.719 7.458 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.242 -2.770 9.082 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.499 -4.233 8.393 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.628 -3.840 5.563 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.640 -5.387 6.443 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -3.161 -4.710 5.814 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.710 -5.241 10.245 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.260 -6.010 11.355 1.00 1.67 C ATOM 1682 C ASN A 110 -7.779 -5.904 11.377 1.00 1.44 C ATOM 1683 O ASN A 110 -8.432 -6.291 12.348 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.668 -5.540 12.691 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.998 -4.093 13.019 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -7.024 -3.798 13.629 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -5.113 -3.183 12.639 1.00 3.35 N ATOM 0 H ASN A 110 -5.733 -4.230 10.377 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.988 -7.056 11.212 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -6.040 -6.180 13.491 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.585 -5.661 12.663 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -5.271 -2.198 12.851 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -4.273 -3.468 12.134 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.333 -5.397 10.291 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.763 -5.234 10.198 1.00 1.12 C ATOM 1696 C GLY A 111 -10.289 -5.646 8.840 1.00 0.87 C ATOM 1697 O GLY A 111 -9.547 -6.199 8.025 1.00 0.93 O ATOM 0 H GLY A 111 -7.813 -5.094 9.467 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.248 -5.830 10.971 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -10.023 -4.193 10.388 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.575 -5.391 8.571 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.209 -5.735 7.305 1.00 0.93 C ATOM 1703 C PRO A 112 -12.079 -4.619 6.271 1.00 0.89 C ATOM 1704 O PRO A 112 -11.488 -3.568 6.535 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.665 -5.904 7.720 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.862 -4.906 8.811 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.521 -4.736 9.490 1.00 1.10 C ATOM 0 HA PRO A 112 -11.764 -6.610 6.831 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.340 -5.717 6.885 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.863 -6.917 8.069 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.215 -3.957 8.408 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.614 -5.251 9.520 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.276 -3.684 9.633 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.510 -5.203 10.475 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.637 -4.849 5.093 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.667 -3.832 4.061 1.00 0.58 C ATOM 1717 C LEU A 113 -14.008 -3.117 4.083 1.00 0.69 C ATOM 1718 O LEU A 113 -15.033 -3.713 4.416 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.425 -4.442 2.682 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.036 -5.037 2.462 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.885 -5.488 1.024 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.956 -4.024 2.824 1.00 1.05 C ATOM 0 H LEU A 113 -13.075 -5.732 4.830 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.869 -3.117 4.261 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.167 -5.223 2.514 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.595 -3.673 1.929 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.920 -5.904 3.113 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.891 -5.911 0.878 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.637 -6.244 0.799 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.018 -4.634 0.359 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.973 -4.466 2.661 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.064 -3.138 2.198 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.058 -3.743 3.872 1.00 1.05 H new ATOM 1734 N PRO A 114 -14.007 -1.830 3.726 1.00 0.68 N ATOM 1735 CA PRO A 114 -15.200 -0.986 3.777 1.00 0.83 C ATOM 1736 C PRO A 114 -16.239 -1.401 2.742 1.00 0.86 C ATOM 1737 O PRO A 114 -15.900 -1.812 1.630 1.00 1.15 O ATOM 1738 CB PRO A 114 -14.672 0.422 3.464 1.00 1.02 C ATOM 1739 CG PRO A 114 -13.185 0.324 3.561 1.00 0.90 C ATOM 1740 CD PRO A 114 -12.842 -1.096 3.225 1.00 0.70 C ATOM 0 HA PRO A 114 -15.702 -1.057 4.742 1.00 0.83 H new ATOM 0 HB2 PRO A 114 -14.980 0.744 2.469 1.00 1.02 H new ATOM 0 HB3 PRO A 114 -15.064 1.154 4.171 1.00 1.02 H new ATOM 0 HG2 PRO A 114 -12.702 1.016 2.871 1.00 0.90 H new ATOM 0 HG3 PRO A 114 -12.841 0.582 4.563 1.00 0.90 H new ATOM 0 HD2 PRO A 114 -12.703 -1.237 2.153 1.00 0.70 H new ATOM 0 HD3 PRO A 114 -11.920 -1.417 3.711 1.00 0.70 H new ATOM 1748 N VAL A 115 -17.500 -1.285 3.125 1.00 1.26 N ATOM 1749 CA VAL A 115 -18.611 -1.678 2.270 1.00 1.45 C ATOM 1750 C VAL A 115 -18.820 -0.662 1.153 1.00 1.91 C ATOM 1751 O VAL A 115 -18.439 0.503 1.286 1.00 2.44 O ATOM 1752 CB VAL A 115 -19.913 -1.816 3.090 1.00 1.96 C ATOM 1753 CG1 VAL A 115 -19.774 -2.922 4.126 1.00 2.60 C ATOM 1754 CG2 VAL A 115 -20.276 -0.498 3.760 1.00 2.98 C ATOM 0 H VAL A 115 -17.783 -0.917 4.033 1.00 1.26 H new ATOM 0 HA VAL A 115 -18.364 -2.644 1.831 1.00 1.45 H new ATOM 0 HB VAL A 115 -20.719 -2.081 2.406 1.00 1.96 H new ATOM 0 HG11 VAL A 115 -20.700 -3.006 4.695 1.00 2.60 H new ATOM 0 HG12 VAL A 115 -19.570 -3.868 3.624 1.00 2.60 H new ATOM 0 HG13 VAL A 115 -18.953 -2.686 4.802 1.00 2.60 H new ATOM 0 HG21 VAL A 115 -21.196 -0.621 4.331 1.00 2.98 H new ATOM 0 HG22 VAL A 115 -19.471 -0.197 4.430 1.00 2.98 H new ATOM 0 HG23 VAL A 115 -20.421 0.269 2.999 1.00 2.98 H new ATOM 1764 N PRO A 116 -19.421 -1.095 0.034 1.00 2.53 N ATOM 1765 CA PRO A 116 -19.704 -0.217 -1.101 1.00 3.48 C ATOM 1766 C PRO A 116 -20.852 0.748 -0.808 1.00 3.68 C ATOM 1767 O PRO A 116 -21.931 0.648 -1.393 1.00 3.90 O ATOM 1768 CB PRO A 116 -20.084 -1.192 -2.217 1.00 4.23 C ATOM 1769 CG PRO A 116 -20.622 -2.387 -1.510 1.00 4.01 C ATOM 1770 CD PRO A 116 -19.865 -2.482 -0.214 1.00 2.94 C ATOM 0 HA PRO A 116 -18.856 0.420 -1.352 1.00 3.48 H new ATOM 0 HB2 PRO A 116 -20.829 -0.759 -2.885 1.00 4.23 H new ATOM 0 HB3 PRO A 116 -19.219 -1.450 -2.829 1.00 4.23 H new ATOM 0 HG2 PRO A 116 -21.692 -2.284 -1.329 1.00 4.01 H new ATOM 0 HG3 PRO A 116 -20.485 -3.288 -2.108 1.00 4.01 H new ATOM 0 HD2 PRO A 116 -20.498 -2.850 0.593 1.00 2.94 H new ATOM 0 HD3 PRO A 116 -19.019 -3.165 -0.293 1.00 2.94 H new ATOM 1778 N PHE A 117 -20.614 1.658 0.126 1.00 4.03 N ATOM 1779 CA PHE A 117 -21.587 2.676 0.486 1.00 4.72 C ATOM 1780 C PHE A 117 -21.761 3.652 -0.671 1.00 5.62 C ATOM 1781 O PHE A 117 -20.791 4.275 -1.109 1.00 6.22 O ATOM 1782 CB PHE A 117 -21.120 3.410 1.748 1.00 5.32 C ATOM 1783 CG PHE A 117 -22.088 4.442 2.255 1.00 5.77 C ATOM 1784 CD1 PHE A 117 -23.246 4.060 2.910 1.00 6.08 C ATOM 1785 CD2 PHE A 117 -21.843 5.791 2.066 1.00 6.27 C ATOM 1786 CE1 PHE A 117 -24.138 5.006 3.374 1.00 6.87 C ATOM 1787 CE2 PHE A 117 -22.732 6.741 2.527 1.00 7.04 C ATOM 1788 CZ PHE A 117 -23.871 6.348 3.203 1.00 7.33 C ATOM 0 H PHE A 117 -19.743 1.710 0.654 1.00 4.03 H new ATOM 0 HA PHE A 117 -22.549 2.207 0.692 1.00 4.72 H new ATOM 0 HB2 PHE A 117 -20.942 2.678 2.535 1.00 5.32 H new ATOM 0 HB3 PHE A 117 -20.166 3.894 1.541 1.00 5.32 H new ATOM 0 HD1 PHE A 117 -23.454 3.011 3.060 1.00 6.08 H new ATOM 0 HD2 PHE A 117 -20.946 6.104 1.552 1.00 6.27 H new ATOM 0 HE1 PHE A 117 -25.045 4.695 3.871 1.00 6.87 H new ATOM 0 HE2 PHE A 117 -22.537 7.790 2.359 1.00 7.04 H new ATOM 0 HZ PHE A 117 -24.550 7.090 3.596 1.00 7.33 H new ATOM 1798 N THR A 118 -22.994 3.766 -1.162 1.00 6.05 N ATOM 1799 CA THR A 118 -23.299 4.583 -2.334 1.00 7.13 C ATOM 1800 C THR A 118 -22.719 3.924 -3.593 1.00 7.53 C ATOM 1801 O THR A 118 -22.038 2.898 -3.503 1.00 8.01 O ATOM 1802 CB THR A 118 -22.745 6.026 -2.185 1.00 8.07 C ATOM 1803 OG1 THR A 118 -22.945 6.494 -0.843 1.00 8.43 O ATOM 1804 CG2 THR A 118 -23.431 6.992 -3.144 1.00 8.78 C ATOM 0 H THR A 118 -23.806 3.297 -0.760 1.00 6.05 H new ATOM 0 HA THR A 118 -24.383 4.651 -2.424 1.00 7.13 H new ATOM 0 HB THR A 118 -21.681 5.992 -2.421 1.00 8.07 H new ATOM 0 HG1 THR A 118 -22.244 6.132 -0.262 1.00 8.43 H new ATOM 0 HG21 THR A 118 -23.018 7.992 -3.011 1.00 8.78 H new ATOM 0 HG22 THR A 118 -23.266 6.665 -4.170 1.00 8.78 H new ATOM 0 HG23 THR A 118 -24.501 7.011 -2.937 1.00 8.78 H new ATOM 1812 N ASN A 119 -23.033 4.492 -4.761 1.00 7.62 N ATOM 1813 CA ASN A 119 -22.471 4.047 -6.038 1.00 8.32 C ATOM 1814 C ASN A 119 -23.071 2.731 -6.510 1.00 9.00 C ATOM 1815 O ASN A 119 -23.437 1.861 -5.717 1.00 9.23 O ATOM 1816 CB ASN A 119 -20.943 3.927 -5.973 1.00 8.46 C ATOM 1817 CG ASN A 119 -20.248 5.265 -6.100 1.00 8.93 C ATOM 1818 OD1 ASN A 119 -20.027 5.967 -5.115 1.00 9.34 O ATOM 1819 ND2 ASN A 119 -19.887 5.618 -7.323 1.00 9.14 N ATOM 0 H ASN A 119 -23.684 5.273 -4.847 1.00 7.62 H new ATOM 0 HA ASN A 119 -22.733 4.816 -6.765 1.00 8.32 H new ATOM 0 HB2 ASN A 119 -20.659 3.462 -5.029 1.00 8.46 H new ATOM 0 HB3 ASN A 119 -20.600 3.267 -6.769 1.00 8.46 H new ATOM 0 HD21 ASN A 119 -19.405 6.504 -7.477 1.00 9.14 H new ATOM 0 HD22 ASN A 119 -20.091 5.004 -8.112 1.00 9.14 H new ATOM 1826 N GLY A 120 -23.187 2.612 -7.818 1.00 9.55 N ATOM 1827 CA GLY A 120 -23.648 1.390 -8.432 1.00 10.42 C ATOM 1828 C GLY A 120 -23.233 1.339 -9.881 1.00 11.21 C ATOM 1829 O GLY A 120 -22.726 2.330 -10.411 1.00 11.55 O ATOM 0 H GLY A 120 -22.965 3.357 -8.479 1.00 9.55 H new ATOM 0 HA2 GLY A 120 -23.239 0.531 -7.900 1.00 10.42 H new ATOM 0 HA3 GLY A 120 -24.733 1.324 -8.356 1.00 10.42 H new ATOM 1833 N GLU A 121 -23.427 0.204 -10.523 1.00 11.70 N ATOM 1834 CA GLU A 121 -23.067 0.065 -11.922 1.00 12.64 C ATOM 1835 C GLU A 121 -24.296 -0.248 -12.756 1.00 13.44 C ATOM 1836 O GLU A 121 -24.734 -1.398 -12.832 1.00 13.92 O ATOM 1837 CB GLU A 121 -22.009 -1.026 -12.113 1.00 12.94 C ATOM 1838 CG GLU A 121 -20.724 -0.779 -11.341 1.00 12.93 C ATOM 1839 CD GLU A 121 -19.583 -1.652 -11.822 1.00 13.41 C ATOM 1840 OE1 GLU A 121 -19.600 -2.872 -11.554 1.00 13.66 O ATOM 1841 OE2 GLU A 121 -18.659 -1.116 -12.471 1.00 13.68 O ATOM 0 H GLU A 121 -23.830 -0.633 -10.101 1.00 11.70 H new ATOM 0 HA GLU A 121 -22.644 1.013 -12.256 1.00 12.64 H new ATOM 0 HB2 GLU A 121 -22.429 -1.983 -11.804 1.00 12.94 H new ATOM 0 HB3 GLU A 121 -21.774 -1.109 -13.174 1.00 12.94 H new ATOM 0 HG2 GLU A 121 -20.441 0.269 -11.438 1.00 12.93 H new ATOM 0 HG3 GLU A 121 -20.899 -0.966 -10.281 1.00 12.93 H new ATOM 1848 N ILE A 122 -24.866 0.785 -13.360 1.00 13.73 N ATOM 1849 CA ILE A 122 -25.994 0.608 -14.256 1.00 14.64 C ATOM 1850 C ILE A 122 -25.487 0.071 -15.586 1.00 15.74 C ATOM 1851 O ILE A 122 -24.946 0.816 -16.407 1.00 16.21 O ATOM 1852 CB ILE A 122 -26.766 1.928 -14.480 1.00 14.54 C ATOM 1853 CG1 ILE A 122 -27.288 2.471 -13.146 1.00 14.04 C ATOM 1854 CG2 ILE A 122 -27.917 1.721 -15.456 1.00 14.69 C ATOM 1855 CD1 ILE A 122 -28.219 1.521 -12.422 1.00 14.09 C ATOM 0 H ILE A 122 -24.564 1.753 -13.244 1.00 13.73 H new ATOM 0 HA ILE A 122 -26.687 -0.099 -13.800 1.00 14.64 H new ATOM 0 HB ILE A 122 -26.081 2.658 -14.911 1.00 14.54 H new ATOM 0 HG12 ILE A 122 -26.440 2.697 -12.500 1.00 14.04 H new ATOM 0 HG13 ILE A 122 -27.811 3.410 -13.326 1.00 14.04 H new ATOM 0 HG21 ILE A 122 -28.447 2.663 -15.599 1.00 14.69 H new ATOM 0 HG22 ILE A 122 -27.525 1.376 -16.413 1.00 14.69 H new ATOM 0 HG23 ILE A 122 -28.604 0.976 -15.056 1.00 14.69 H new ATOM 0 HD11 ILE A 122 -28.547 1.975 -11.487 1.00 14.09 H new ATOM 0 HD12 ILE A 122 -29.087 1.314 -13.048 1.00 14.09 H new ATOM 0 HD13 ILE A 122 -27.695 0.589 -12.209 1.00 14.09 H new ATOM 1867 N GLN A 123 -25.648 -1.224 -15.784 1.00 16.25 N ATOM 1868 CA GLN A 123 -25.069 -1.902 -16.932 1.00 17.37 C ATOM 1869 C GLN A 123 -25.944 -1.729 -18.166 1.00 18.25 C ATOM 1870 O GLN A 123 -25.544 -2.071 -19.280 1.00 18.70 O ATOM 1871 CB GLN A 123 -24.892 -3.391 -16.610 1.00 17.69 C ATOM 1872 CG GLN A 123 -24.055 -4.157 -17.621 1.00 18.12 C ATOM 1873 CD GLN A 123 -22.662 -3.581 -17.763 1.00 18.49 C ATOM 1874 OE1 GLN A 123 -22.417 -2.724 -18.610 1.00 18.82 O ATOM 1875 NE2 GLN A 123 -21.745 -4.043 -16.930 1.00 18.57 N ATOM 0 H GLN A 123 -26.179 -1.832 -15.161 1.00 16.25 H new ATOM 0 HA GLN A 123 -24.097 -1.459 -17.147 1.00 17.37 H new ATOM 0 HB2 GLN A 123 -24.429 -3.485 -15.628 1.00 17.69 H new ATOM 0 HB3 GLN A 123 -25.876 -3.856 -16.545 1.00 17.69 H new ATOM 0 HG2 GLN A 123 -23.985 -5.201 -17.316 1.00 18.12 H new ATOM 0 HG3 GLN A 123 -24.554 -4.141 -18.590 1.00 18.12 H new ATOM 0 HE21 GLN A 123 -21.993 -4.755 -16.243 1.00 18.57 H new ATOM 0 HE22 GLN A 123 -20.790 -3.688 -16.975 1.00 18.57 H new ATOM 1884 N LYS A 124 -27.135 -1.169 -17.947 1.00 18.59 N ATOM 1885 CA LYS A 124 -28.155 -1.072 -18.981 1.00 19.51 C ATOM 1886 C LYS A 124 -28.467 -2.479 -19.465 1.00 20.23 C ATOM 1887 O LYS A 124 -28.512 -2.764 -20.659 1.00 20.83 O ATOM 1888 CB LYS A 124 -27.710 -0.161 -20.136 1.00 19.61 C ATOM 1889 CG LYS A 124 -28.830 0.200 -21.100 1.00 19.54 C ATOM 1890 CD LYS A 124 -28.364 1.183 -22.160 1.00 19.77 C ATOM 1891 CE LYS A 124 -29.497 1.569 -23.097 1.00 20.14 C ATOM 1892 NZ LYS A 124 -29.081 2.611 -24.074 1.00 20.17 N ATOM 0 H LYS A 124 -27.415 -0.773 -17.050 1.00 18.59 H new ATOM 0 HA LYS A 124 -29.054 -0.614 -18.569 1.00 19.51 H new ATOM 0 HB2 LYS A 124 -27.290 0.756 -19.722 1.00 19.61 H new ATOM 0 HB3 LYS A 124 -26.912 -0.656 -20.690 1.00 19.61 H new ATOM 0 HG2 LYS A 124 -29.202 -0.705 -21.581 1.00 19.54 H new ATOM 0 HG3 LYS A 124 -29.663 0.631 -20.545 1.00 19.54 H new ATOM 0 HD2 LYS A 124 -27.967 2.077 -21.679 1.00 19.77 H new ATOM 0 HD3 LYS A 124 -27.550 0.742 -22.734 1.00 19.77 H new ATOM 0 HE2 LYS A 124 -29.841 0.685 -23.634 1.00 20.14 H new ATOM 0 HE3 LYS A 124 -30.341 1.936 -22.513 1.00 20.14 H new ATOM 0 HZ1 LYS A 124 -29.883 2.845 -24.694 1.00 20.17 H new ATOM 0 HZ2 LYS A 124 -28.777 3.464 -23.563 1.00 20.17 H new ATOM 0 HZ3 LYS A 124 -28.292 2.253 -24.649 1.00 20.17 H new ATOM 1906 N GLU A 125 -28.642 -3.354 -18.491 1.00 20.28 N ATOM 1907 CA GLU A 125 -28.898 -4.761 -18.724 1.00 21.04 C ATOM 1908 C GLU A 125 -30.322 -4.985 -19.235 1.00 21.94 C ATOM 1909 O GLU A 125 -31.194 -5.504 -18.534 1.00 22.50 O ATOM 1910 CB GLU A 125 -28.605 -5.574 -17.441 1.00 20.98 C ATOM 1911 CG GLU A 125 -29.461 -5.228 -16.214 1.00 20.93 C ATOM 1912 CD GLU A 125 -29.459 -3.754 -15.850 1.00 21.01 C ATOM 1913 OE1 GLU A 125 -28.358 -3.179 -15.733 1.00 20.79 O ATOM 1914 OE2 GLU A 125 -30.547 -3.178 -15.638 1.00 21.38 O ATOM 0 H GLU A 125 -28.610 -3.102 -17.503 1.00 20.28 H new ATOM 0 HA GLU A 125 -28.226 -5.117 -19.505 1.00 21.04 H new ATOM 0 HB2 GLU A 125 -28.740 -6.632 -17.666 1.00 20.98 H new ATOM 0 HB3 GLU A 125 -27.556 -5.435 -17.178 1.00 20.98 H new ATOM 0 HG2 GLU A 125 -30.488 -5.543 -16.400 1.00 20.93 H new ATOM 0 HG3 GLU A 125 -29.101 -5.802 -15.360 1.00 20.93 H new ATOM 1921 N ASN A 126 -30.542 -4.575 -20.472 1.00 22.18 N ATOM 1922 CA ASN A 126 -31.815 -4.772 -21.137 1.00 23.12 C ATOM 1923 C ASN A 126 -32.025 -6.252 -21.434 1.00 23.54 C ATOM 1924 O ASN A 126 -31.520 -6.787 -22.422 1.00 23.81 O ATOM 1925 CB ASN A 126 -31.902 -3.931 -22.426 1.00 23.38 C ATOM 1926 CG ASN A 126 -30.783 -4.199 -23.430 1.00 23.74 C ATOM 1927 OD1 ASN A 126 -29.656 -4.540 -23.065 1.00 23.88 O ATOM 1928 ND2 ASN A 126 -31.092 -4.040 -24.708 1.00 23.99 N ATOM 0 H ASN A 126 -29.844 -4.097 -21.042 1.00 22.18 H new ATOM 0 HA ASN A 126 -32.610 -4.435 -20.472 1.00 23.12 H new ATOM 0 HB2 ASN A 126 -32.860 -4.125 -22.908 1.00 23.38 H new ATOM 0 HB3 ASN A 126 -31.888 -2.875 -22.158 1.00 23.38 H new ATOM 0 HD21 ASN A 126 -30.387 -4.201 -25.427 1.00 23.99 H new ATOM 0 HD22 ASN A 126 -32.035 -3.757 -24.973 1.00 23.99 H new ATOM 1935 N SER A 127 -32.736 -6.924 -20.547 1.00 23.70 N ATOM 1936 CA SER A 127 -33.010 -8.336 -20.725 1.00 24.19 C ATOM 1937 C SER A 127 -34.105 -8.510 -21.768 1.00 24.67 C ATOM 1938 O SER A 127 -34.007 -9.364 -22.650 1.00 25.00 O ATOM 1939 CB SER A 127 -33.421 -8.976 -19.394 1.00 24.36 C ATOM 1940 OG SER A 127 -33.454 -10.390 -19.492 1.00 24.58 O ATOM 0 H SER A 127 -33.132 -6.516 -19.700 1.00 23.70 H new ATOM 0 HA SER A 127 -32.106 -8.837 -21.071 1.00 24.19 H new ATOM 0 HB2 SER A 127 -32.720 -8.679 -18.614 1.00 24.36 H new ATOM 0 HB3 SER A 127 -34.403 -8.607 -19.098 1.00 24.36 H new ATOM 0 HG SER A 127 -33.718 -10.772 -18.629 1.00 24.58 H new ATOM 1946 N ARG A 128 -35.120 -7.660 -21.683 1.00 24.79 N ATOM 1947 CA ARG A 128 -36.251 -7.724 -22.589 1.00 25.33 C ATOM 1948 C ARG A 128 -37.173 -6.539 -22.342 1.00 25.41 C ATOM 1949 O ARG A 128 -37.152 -5.587 -23.147 1.00 25.41 O ATOM 1950 CB ARG A 128 -37.012 -9.034 -22.395 1.00 25.71 C ATOM 1951 CG ARG A 128 -37.576 -9.598 -23.684 1.00 25.88 C ATOM 1952 CD ARG A 128 -38.192 -10.964 -23.463 1.00 26.27 C ATOM 1953 NE ARG A 128 -38.515 -11.620 -24.726 1.00 26.63 N ATOM 1954 CZ ARG A 128 -39.091 -12.815 -24.821 1.00 27.12 C ATOM 1955 NH1 ARG A 128 -39.377 -13.512 -23.724 1.00 27.29 N ATOM 1956 NH2 ARG A 128 -39.360 -13.323 -26.018 1.00 27.52 N ATOM 1957 OXT ARG A 128 -37.887 -6.546 -21.319 1.00 25.55 O ATOM 0 H ARG A 128 -35.180 -6.914 -20.989 1.00 24.79 H new ATOM 0 HA ARG A 128 -35.887 -7.685 -23.616 1.00 25.33 H new ATOM 0 HB2 ARG A 128 -36.345 -9.770 -21.946 1.00 25.71 H new ATOM 0 HB3 ARG A 128 -37.828 -8.871 -21.691 1.00 25.71 H new ATOM 0 HG2 ARG A 128 -38.328 -8.918 -24.083 1.00 25.88 H new ATOM 0 HG3 ARG A 128 -36.784 -9.670 -24.429 1.00 25.88 H new ATOM 0 HD2 ARG A 128 -37.501 -11.587 -22.895 1.00 26.27 H new ATOM 0 HD3 ARG A 128 -39.097 -10.863 -22.863 1.00 26.27 H new ATOM 0 HE ARG A 128 -38.284 -11.131 -25.591 1.00 26.63 H new ATOM 0 HH11 ARG A 128 -39.154 -13.130 -22.805 1.00 27.29 H new ATOM 0 HH12 ARG A 128 -39.819 -14.428 -23.802 1.00 27.29 H new ATOM 0 HH21 ARG A 128 -39.125 -12.797 -26.860 1.00 27.52 H new ATOM 0 HH22 ARG A 128 -39.802 -14.239 -26.096 1.00 27.52 H new TER 1971 ARG A 128