USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1166 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 66 LYS NZ :NH3+ -127:sc= 0.124 (180deg=-0.798) USER MOD Set 1.2: B 34 TYR OH : rot 165:sc= 0.352 USER MOD Set 2.1: A 34 TYR OH : rot 160:sc= 1.14 USER MOD Set 2.2: B 66 LYS NZ :NH3+ -176:sc= 0.43 (180deg=-0.472) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0936 (180deg=-0.695) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0.826 (180deg=0.731) USER MOD Single : A 7 THR OG1 : rot 11:sc= 0.895 USER MOD Single : A 10 SER OG : rot -161:sc= 0.204 USER MOD Single : A 13 GLN : amide:sc= 1.08 K(o=1.1,f=-0.072) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0.511 (180deg=0.494) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -2.56! (180deg=-3.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -164:sc= 0.479 USER MOD Single : A 36 SER OG : rot 80:sc= 0.922 USER MOD Single : A 37 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.13) USER MOD Single : A 42 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.26) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -0.116 (180deg=-0.218) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.454 F(o=-0.99,f=-0.45) USER MOD Single : A 56 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.3) USER MOD Single : A 60 SER OG : rot 180:sc= -0.496 USER MOD Single : A 61 HIS :FLIP no HE2:sc= -1.29! C(o=-5.6!,f=-1.3!) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.967 F(o=-1.2!,f=0.97) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -159:sc= -0.105 (180deg=-0.7) USER MOD Single : B 3 LYS NZ :NH3+ 167:sc= 0.818 (180deg=0.721) USER MOD Single : B 7 THR OG1 : rot 7:sc= 0.929 USER MOD Single : B 10 SER OG : rot -159:sc= 0.249 USER MOD Single : B 13 GLN : amide:sc= 1.09 K(o=1.1,f=-0.062) USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 0.523 (180deg=0.51) USER MOD Single : B 15 LYS NZ :NH3+ -164:sc= -2.59! (180deg=-3.83!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot -164:sc= 0.404 USER MOD Single : B 36 SER OG : rot 79:sc= 0.962 USER MOD Single : B 37 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.21) USER MOD Single : B 42 ASN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.2) USER MOD Single : B 53 LYS NZ :NH3+ 179:sc= -0.162 (180deg=-0.172) USER MOD Single : B 55 GLN :FLIP amide:sc= -0.319 F(o=-0.89,f=-0.32) USER MOD Single : B 56 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.3) USER MOD Single : B 60 SER OG : rot 180:sc= -0.493 USER MOD Single : B 61 HIS :FLIP no HE2:sc= -1.15! C(o=-5.2!,f=-1.2!) USER MOD Single : B 63 GLN :FLIP amide:sc= 0.542 F(o=-1.2!,f=0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.164 -19.492 1.544 1.00 4.10 N ATOM 2 CA MET A 1 -5.252 -18.384 0.595 1.00 3.64 C ATOM 3 C MET A 1 -4.945 -17.126 1.270 1.00 3.20 C ATOM 4 O MET A 1 -5.515 -16.833 2.344 1.00 3.61 O ATOM 5 CB MET A 1 -6.674 -18.321 0.036 1.00 4.44 C ATOM 6 CG MET A 1 -6.975 -19.606 -0.739 1.00 5.32 C ATOM 7 SD MET A 1 -5.870 -19.718 -2.156 1.00 5.98 S ATOM 8 CE MET A 1 -6.543 -21.312 -2.649 1.00 6.70 C ATOM 0 H1 MET A 1 -4.994 -20.379 1.028 1.00 4.10 H new ATOM 0 H2 MET A 1 -4.380 -19.321 2.206 1.00 4.10 H new ATOM 0 H3 MET A 1 -6.055 -19.566 2.075 1.00 4.10 H new ATOM 0 HA MET A 1 -4.538 -18.541 -0.213 1.00 3.64 H new ATOM 0 HB2 MET A 1 -7.390 -18.197 0.848 1.00 4.44 H new ATOM 0 HB3 MET A 1 -6.781 -17.456 -0.618 1.00 4.44 H new ATOM 0 HG2 MET A 1 -6.845 -20.474 -0.092 1.00 5.32 H new ATOM 0 HG3 MET A 1 -8.013 -19.609 -1.071 1.00 5.32 H new ATOM 0 HE1 MET A 1 -6.032 -21.661 -3.546 1.00 6.70 H new ATOM 0 HE2 MET A 1 -6.397 -22.033 -1.845 1.00 6.70 H new ATOM 0 HE3 MET A 1 -7.608 -21.209 -2.855 1.00 6.70 H new ATOM 20 N GLU A 2 -4.071 -16.277 0.713 1.00 2.52 N ATOM 21 CA GLU A 2 -3.755 -15.048 1.331 1.00 2.21 C ATOM 22 C GLU A 2 -3.931 -13.981 0.350 1.00 1.84 C ATOM 23 O GLU A 2 -4.637 -12.984 0.622 1.00 1.98 O ATOM 24 CB GLU A 2 -2.289 -15.086 1.771 1.00 2.47 C ATOM 25 CG GLU A 2 -1.936 -13.800 2.520 1.00 2.84 C ATOM 26 CD GLU A 2 -2.702 -13.736 3.761 1.00 3.40 C ATOM 27 OE1 GLU A 2 -3.952 -13.722 3.724 1.00 3.74 O ATOM 28 OE2 GLU A 2 -2.111 -13.704 4.862 1.00 3.98 O ATOM 0 H GLU A 2 -3.586 -16.448 -0.168 1.00 2.52 H new ATOM 0 HA GLU A 2 -4.398 -14.875 2.194 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -2.115 -15.950 2.412 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -1.642 -15.200 0.901 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -0.868 -13.774 2.737 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -2.156 -12.932 1.899 1.00 2.84 H new ATOM 35 N LYS A 3 -3.311 -14.107 -0.834 1.00 1.84 N ATOM 36 CA LYS A 3 -3.438 -13.154 -1.868 1.00 1.95 C ATOM 37 C LYS A 3 -4.780 -13.182 -2.449 1.00 1.67 C ATOM 38 O LYS A 3 -5.616 -14.035 -2.078 1.00 1.92 O ATOM 39 CB LYS A 3 -2.391 -13.420 -2.951 1.00 2.60 C ATOM 40 CG LYS A 3 -2.650 -14.774 -3.614 1.00 3.26 C ATOM 41 CD LYS A 3 -1.496 -15.081 -4.571 1.00 3.92 C ATOM 42 CE LYS A 3 -1.448 -14.010 -5.663 1.00 4.14 C ATOM 43 NZ LYS A 3 -0.316 -14.271 -6.552 1.00 4.84 N ATOM 0 H LYS A 3 -2.708 -14.895 -1.070 1.00 1.84 H new ATOM 0 HA LYS A 3 -3.275 -12.164 -1.443 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -2.422 -12.628 -3.700 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -1.393 -13.406 -2.513 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -2.732 -15.555 -2.858 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -3.595 -14.754 -4.156 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -0.552 -15.104 -4.026 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -1.630 -16.066 -5.017 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -2.378 -14.012 -6.231 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -1.351 -13.022 -5.214 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -0.397 -13.676 -7.401 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 0.572 -14.050 -6.058 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -0.317 -15.273 -6.830 1.00 4.84 H new ATOM 57 N ARG A 4 -5.120 -12.265 -3.366 1.00 1.50 N ATOM 58 CA ARG A 4 -6.433 -12.217 -3.882 1.00 1.29 C ATOM 59 C ARG A 4 -6.547 -12.655 -5.273 1.00 1.50 C ATOM 60 O ARG A 4 -6.361 -11.821 -6.185 1.00 1.81 O ATOM 61 CB ARG A 4 -6.893 -10.762 -3.869 1.00 1.45 C ATOM 62 CG ARG A 4 -8.245 -10.696 -4.574 1.00 1.70 C ATOM 63 CD ARG A 4 -9.352 -11.101 -3.603 1.00 2.73 C ATOM 64 NE ARG A 4 -9.207 -12.421 -3.145 1.00 3.33 N ATOM 65 CZ ARG A 4 -9.935 -12.802 -2.087 1.00 4.45 C ATOM 66 NH1 ARG A 4 -10.759 -11.919 -1.501 1.00 5.09 N ATOM 67 NH2 ARG A 4 -9.838 -14.051 -1.612 1.00 5.20 N ATOM 0 H ARG A 4 -4.484 -11.563 -3.744 1.00 1.50 H new ATOM 0 HA ARG A 4 -7.027 -12.886 -3.260 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -6.977 -10.397 -2.845 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -6.166 -10.127 -4.375 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -8.424 -9.687 -4.944 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -8.247 -11.358 -5.440 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -9.350 -10.422 -2.751 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -10.319 -10.994 -4.094 1.00 2.73 H new ATOM 0 HE ARG A 4 -8.567 -13.069 -3.604 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -10.827 -10.967 -1.862 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -11.317 -12.200 -0.695 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -9.207 -14.718 -2.056 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -10.395 -14.335 -0.806 1.00 5.20 H new ATOM 81 N PRO A 5 -6.908 -13.907 -5.599 1.00 1.56 N ATOM 82 CA PRO A 5 -7.130 -14.294 -6.938 1.00 1.84 C ATOM 83 C PRO A 5 -8.502 -14.090 -7.313 1.00 1.57 C ATOM 84 O PRO A 5 -8.891 -14.513 -8.390 1.00 1.86 O ATOM 85 CB PRO A 5 -6.859 -15.796 -6.886 1.00 2.15 C ATOM 86 CG PRO A 5 -7.392 -16.173 -5.506 1.00 2.06 C ATOM 87 CD PRO A 5 -7.067 -14.953 -4.639 1.00 1.65 C ATOM 0 HA PRO A 5 -6.520 -13.736 -7.648 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -7.377 -16.331 -7.682 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -5.798 -16.022 -6.988 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -8.464 -16.370 -5.532 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -6.911 -17.074 -5.124 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -7.869 -14.734 -3.934 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -6.160 -15.104 -4.054 1.00 1.65 H new ATOM 95 N ARG A 6 -9.349 -13.487 -6.512 1.00 1.20 N ATOM 96 CA ARG A 6 -10.719 -13.386 -6.846 1.00 1.13 C ATOM 97 C ARG A 6 -11.132 -12.042 -7.257 1.00 1.07 C ATOM 98 O ARG A 6 -12.353 -11.846 -7.434 1.00 1.44 O ATOM 99 CB ARG A 6 -11.543 -13.775 -5.617 1.00 1.21 C ATOM 100 CG ARG A 6 -11.255 -15.221 -5.214 1.00 1.55 C ATOM 101 CD ARG A 6 -12.124 -15.580 -4.006 1.00 1.87 C ATOM 102 NE ARG A 6 -13.484 -15.560 -4.380 1.00 2.69 N ATOM 103 CZ ARG A 6 -14.439 -15.666 -3.445 1.00 3.24 C ATOM 104 NH1 ARG A 6 -14.106 -15.764 -2.150 1.00 3.20 N ATOM 105 NH2 ARG A 6 -15.729 -15.671 -3.805 1.00 4.22 N ATOM 0 H ARG A 6 -9.094 -13.061 -5.621 1.00 1.20 H new ATOM 0 HA ARG A 6 -10.885 -14.048 -7.696 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -11.308 -13.107 -4.788 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -12.605 -13.656 -5.832 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -11.468 -15.894 -6.045 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -10.200 -15.341 -4.969 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -11.854 -16.567 -3.631 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -11.949 -14.872 -3.196 1.00 1.87 H new ATOM 0 HE ARG A 6 -13.741 -15.465 -5.362 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -13.124 -15.758 -1.874 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -14.835 -15.845 -1.441 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -15.984 -15.594 -4.790 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -16.456 -15.752 -3.095 1.00 4.22 H new ATOM 119 N THR A 7 -10.250 -11.050 -7.465 1.00 0.98 N ATOM 120 CA THR A 7 -10.628 -9.733 -7.852 1.00 0.88 C ATOM 121 C THR A 7 -11.579 -9.143 -6.906 1.00 0.88 C ATOM 122 O THR A 7 -12.686 -8.708 -7.292 1.00 0.89 O ATOM 123 CB THR A 7 -11.191 -9.652 -9.278 1.00 0.87 C ATOM 124 OG1 THR A 7 -12.414 -10.361 -9.424 1.00 0.95 O ATOM 125 CG2 THR A 7 -10.157 -10.221 -10.252 1.00 0.90 C ATOM 0 H THR A 7 -9.243 -11.171 -7.360 1.00 0.98 H new ATOM 0 HA THR A 7 -9.704 -9.155 -7.838 1.00 0.88 H new ATOM 0 HB THR A 7 -11.397 -8.604 -9.493 1.00 0.87 H new ATOM 0 HG1 THR A 7 -12.747 -10.624 -8.541 1.00 0.95 H new ATOM 0 HG21 THR A 7 -10.547 -10.168 -11.268 1.00 0.90 H new ATOM 0 HG22 THR A 7 -9.237 -9.641 -10.186 1.00 0.90 H new ATOM 0 HG23 THR A 7 -9.950 -11.260 -9.996 1.00 0.90 H new ATOM 133 N GLU A 8 -11.216 -9.055 -5.619 1.00 0.91 N ATOM 134 CA GLU A 8 -12.054 -8.551 -4.601 1.00 0.98 C ATOM 135 C GLU A 8 -11.224 -8.463 -3.401 1.00 0.96 C ATOM 136 O GLU A 8 -11.518 -9.141 -2.391 1.00 1.30 O ATOM 137 CB GLU A 8 -13.318 -9.390 -4.386 1.00 1.20 C ATOM 138 CG GLU A 8 -12.978 -10.820 -3.975 1.00 1.29 C ATOM 139 CD GLU A 8 -14.219 -11.568 -3.803 1.00 1.75 C ATOM 140 OE1 GLU A 8 -15.054 -11.201 -2.948 1.00 2.27 O ATOM 141 OE2 GLU A 8 -14.455 -12.566 -4.518 1.00 2.22 O ATOM 0 H GLU A 8 -10.300 -9.349 -5.281 1.00 0.91 H new ATOM 0 HA GLU A 8 -12.444 -7.572 -4.879 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -13.937 -8.927 -3.617 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.907 -9.404 -5.303 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -12.355 -11.293 -4.734 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -12.406 -10.820 -3.047 1.00 1.29 H new ATOM 148 N PHE A 9 -10.104 -7.722 -3.502 1.00 0.75 N ATOM 149 CA PHE A 9 -9.080 -7.582 -2.530 1.00 0.68 C ATOM 150 C PHE A 9 -9.258 -8.280 -1.259 1.00 0.81 C ATOM 151 O PHE A 9 -10.251 -8.100 -0.519 1.00 0.93 O ATOM 152 CB PHE A 9 -8.958 -6.088 -2.222 1.00 0.55 C ATOM 153 CG PHE A 9 -10.277 -5.592 -1.840 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.809 -5.894 -0.592 1.00 0.87 C ATOM 155 CD2 PHE A 9 -11.033 -4.876 -2.760 1.00 0.82 C ATOM 156 CE1 PHE A 9 -12.096 -5.480 -0.266 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.316 -4.456 -2.432 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.849 -4.760 -1.185 1.00 0.72 C ATOM 0 H PHE A 9 -9.907 -7.177 -4.341 1.00 0.75 H new ATOM 0 HA PHE A 9 -8.199 -8.043 -2.976 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.242 -5.923 -1.417 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.587 -5.549 -3.094 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -10.223 -6.450 0.125 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -10.622 -4.646 -3.732 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.510 -5.718 0.702 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -12.899 -3.893 -3.146 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.848 -4.437 -0.931 1.00 0.72 H new ATOM 168 N SER A 10 -8.254 -9.094 -0.903 1.00 0.92 N ATOM 169 CA SER A 10 -8.261 -9.849 0.286 1.00 1.07 C ATOM 170 C SER A 10 -7.807 -9.029 1.402 1.00 0.95 C ATOM 171 O SER A 10 -7.406 -7.863 1.200 1.00 0.79 O ATOM 172 CB SER A 10 -7.276 -11.008 0.108 1.00 1.27 C ATOM 173 OG SER A 10 -7.258 -11.831 1.266 1.00 1.65 O ATOM 0 H SER A 10 -7.414 -9.225 -1.467 1.00 0.92 H new ATOM 0 HA SER A 10 -9.270 -10.208 0.491 1.00 1.07 H new ATOM 0 HB2 SER A 10 -7.557 -11.601 -0.762 1.00 1.27 H new ATOM 0 HB3 SER A 10 -6.277 -10.617 -0.083 1.00 1.27 H new ATOM 0 HG SER A 10 -6.436 -12.365 1.275 1.00 1.65 H new ATOM 179 N GLU A 11 -7.797 -9.553 2.636 1.00 1.08 N ATOM 180 CA GLU A 11 -7.379 -8.792 3.748 1.00 1.08 C ATOM 181 C GLU A 11 -5.988 -8.381 3.566 1.00 0.96 C ATOM 182 O GLU A 11 -5.615 -7.243 3.923 1.00 0.94 O ATOM 183 CB GLU A 11 -7.495 -9.649 5.010 1.00 1.26 C ATOM 184 CG GLU A 11 -7.453 -8.742 6.242 1.00 1.21 C ATOM 185 CD GLU A 11 -8.678 -7.946 6.282 1.00 1.81 C ATOM 186 OE1 GLU A 11 -9.789 -8.518 6.265 1.00 2.60 O ATOM 187 OE2 GLU A 11 -8.628 -6.699 6.359 1.00 2.29 O ATOM 0 H GLU A 11 -8.081 -10.508 2.856 1.00 1.08 H new ATOM 0 HA GLU A 11 -8.006 -7.906 3.843 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -8.425 -10.217 4.994 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -6.681 -10.372 5.049 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -7.362 -9.340 7.148 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -6.580 -8.090 6.201 1.00 1.21 H new ATOM 194 N GLU A 12 -5.120 -9.233 3.000 1.00 0.93 N ATOM 195 CA GLU A 12 -3.767 -8.887 2.797 1.00 0.82 C ATOM 196 C GLU A 12 -3.614 -7.811 1.818 1.00 0.71 C ATOM 197 O GLU A 12 -2.557 -7.145 1.816 1.00 0.70 O ATOM 198 CB GLU A 12 -3.008 -10.119 2.300 1.00 0.85 C ATOM 199 CG GLU A 12 -1.513 -9.812 2.159 1.00 1.17 C ATOM 200 CD GLU A 12 -0.949 -9.428 3.451 1.00 2.13 C ATOM 201 OE1 GLU A 12 -1.101 -10.175 4.442 1.00 2.46 O ATOM 202 OE2 GLU A 12 -0.323 -8.352 3.571 1.00 2.73 O ATOM 0 H GLU A 12 -5.367 -10.170 2.682 1.00 0.93 H new ATOM 0 HA GLU A 12 -3.367 -8.535 3.748 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -3.151 -10.946 2.996 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -3.411 -10.438 1.339 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -0.990 -10.687 1.772 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.367 -9.008 1.437 1.00 1.17 H new ATOM 209 N GLN A 13 -4.560 -7.534 0.909 1.00 0.67 N ATOM 210 CA GLN A 13 -4.325 -6.524 -0.046 1.00 0.57 C ATOM 211 C GLN A 13 -4.907 -5.268 0.429 1.00 0.52 C ATOM 212 O GLN A 13 -4.417 -4.181 0.056 1.00 0.47 O ATOM 213 CB GLN A 13 -4.956 -6.933 -1.381 1.00 0.62 C ATOM 214 CG GLN A 13 -4.449 -8.321 -1.790 1.00 0.82 C ATOM 215 CD GLN A 13 -3.002 -8.328 -2.002 1.00 1.48 C ATOM 216 OE1 GLN A 13 -2.261 -8.884 -1.163 1.00 2.34 O ATOM 217 NE2 GLN A 13 -2.456 -7.796 -3.107 1.00 2.04 N ATOM 0 H GLN A 13 -5.464 -8.001 0.841 1.00 0.67 H new ATOM 0 HA GLN A 13 -3.253 -6.387 -0.189 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.042 -6.944 -1.292 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -4.706 -6.203 -2.151 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -4.707 -9.045 -1.017 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -4.952 -8.637 -2.704 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -3.049 -7.339 -3.800 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -1.448 -7.848 -3.254 1.00 2.04 H new ATOM 226 N LYS A 14 -5.934 -5.282 1.294 1.00 0.57 N ATOM 227 CA LYS A 14 -6.538 -4.084 1.745 1.00 0.57 C ATOM 228 C LYS A 14 -5.605 -3.172 2.408 1.00 0.60 C ATOM 229 O LYS A 14 -5.902 -1.961 2.496 1.00 0.60 O ATOM 230 CB LYS A 14 -7.619 -4.422 2.774 1.00 0.65 C ATOM 231 CG LYS A 14 -8.844 -5.044 2.105 1.00 0.67 C ATOM 232 CD LYS A 14 -9.728 -5.630 3.207 1.00 1.04 C ATOM 233 CE LYS A 14 -10.169 -4.520 4.163 1.00 1.36 C ATOM 234 NZ LYS A 14 -10.930 -5.118 5.258 1.00 1.71 N ATOM 0 H LYS A 14 -6.344 -6.133 1.680 1.00 0.57 H new ATOM 0 HA LYS A 14 -6.933 -3.594 0.855 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -7.216 -5.113 3.515 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.912 -3.518 3.307 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -9.391 -4.293 1.535 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.543 -5.821 1.402 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -10.601 -6.112 2.767 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.182 -6.398 3.754 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -9.300 -3.990 4.553 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.779 -3.787 3.635 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -11.308 -4.366 5.869 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -11.717 -5.676 4.870 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -10.308 -5.738 5.815 1.00 1.71 H new ATOM 248 N LYS A 15 -4.452 -3.589 2.950 1.00 0.68 N ATOM 249 CA LYS A 15 -3.637 -2.640 3.599 1.00 0.73 C ATOM 250 C LYS A 15 -2.933 -1.853 2.594 1.00 0.66 C ATOM 251 O LYS A 15 -2.642 -0.666 2.845 1.00 0.70 O ATOM 252 CB LYS A 15 -2.609 -3.335 4.493 1.00 0.82 C ATOM 253 CG LYS A 15 -3.303 -3.845 5.758 1.00 0.97 C ATOM 254 CD LYS A 15 -3.961 -5.190 5.449 1.00 1.51 C ATOM 255 CE LYS A 15 -2.905 -6.295 5.511 1.00 1.07 C ATOM 256 NZ LYS A 15 -1.963 -6.156 4.400 1.00 1.94 N ATOM 0 H LYS A 15 -4.101 -4.547 2.938 1.00 0.68 H new ATOM 0 HA LYS A 15 -4.266 -1.999 4.216 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -2.147 -4.165 3.958 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -1.811 -2.641 4.757 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -2.581 -3.955 6.567 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -4.051 -3.127 6.094 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -4.757 -5.391 6.165 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -4.420 -5.165 4.461 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -2.370 -6.244 6.459 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -3.387 -7.272 5.469 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -1.414 -7.034 4.298 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -2.488 -5.972 3.521 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -1.317 -5.364 4.590 1.00 1.94 H new ATOM 270 N ALA A 16 -2.630 -2.374 1.398 1.00 0.58 N ATOM 271 CA ALA A 16 -1.987 -1.582 0.423 1.00 0.53 C ATOM 272 C ALA A 16 -2.884 -0.505 0.009 1.00 0.50 C ATOM 273 O ALA A 16 -2.440 0.645 -0.209 1.00 0.60 O ATOM 274 CB ALA A 16 -1.661 -2.455 -0.790 1.00 0.46 C ATOM 0 H ALA A 16 -2.830 -3.333 1.114 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.071 -1.159 0.835 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.164 -1.852 -1.549 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.004 -3.270 -0.486 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.583 -2.867 -1.200 1.00 0.46 H new ATOM 280 N LEU A 17 -4.195 -0.759 -0.116 1.00 0.44 N ATOM 281 CA LEU A 17 -5.081 0.255 -0.538 1.00 0.46 C ATOM 282 C LEU A 17 -5.216 1.256 0.520 1.00 0.57 C ATOM 283 O LEU A 17 -5.404 2.456 0.222 1.00 0.71 O ATOM 284 CB LEU A 17 -6.450 -0.383 -0.785 1.00 0.42 C ATOM 285 CG LEU A 17 -6.428 -1.110 -2.129 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.525 -2.331 -1.980 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.835 -1.565 -2.516 1.00 0.38 C ATOM 0 H LEU A 17 -4.631 -1.661 0.075 1.00 0.44 H new ATOM 0 HA LEU A 17 -4.703 0.730 -1.444 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.689 -1.082 0.017 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.227 0.382 -0.784 1.00 0.42 H new ATOM 0 HG LEU A 17 -6.059 -0.441 -2.907 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -5.488 -2.873 -2.925 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.520 -2.009 -1.706 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.921 -2.984 -1.202 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.800 -2.081 -3.476 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -8.221 -2.242 -1.754 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.489 -0.697 -2.595 1.00 0.38 H new ATOM 299 N ASP A 18 -5.106 0.875 1.802 1.00 0.59 N ATOM 300 CA ASP A 18 -5.168 1.805 2.861 1.00 0.70 C ATOM 301 C ASP A 18 -4.022 2.706 2.832 1.00 0.73 C ATOM 302 O ASP A 18 -4.195 3.930 3.016 1.00 0.82 O ATOM 303 CB ASP A 18 -5.132 1.046 4.188 1.00 0.76 C ATOM 304 CG ASP A 18 -5.172 2.005 5.289 1.00 0.97 C ATOM 305 OD1 ASP A 18 -6.139 2.790 5.399 1.00 1.76 O ATOM 306 OD2 ASP A 18 -4.241 2.040 6.124 1.00 1.24 O ATOM 0 H ASP A 18 -4.973 -0.092 2.099 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.086 2.383 2.756 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -5.979 0.363 4.253 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.228 0.440 4.250 1.00 0.76 H new ATOM 311 N LEU A 19 -2.794 2.212 2.617 1.00 0.68 N ATOM 312 CA LEU A 19 -1.651 3.038 2.642 1.00 0.70 C ATOM 313 C LEU A 19 -1.761 4.164 1.719 1.00 0.71 C ATOM 314 O LEU A 19 -1.410 5.299 2.114 1.00 0.85 O ATOM 315 CB LEU A 19 -0.439 2.196 2.241 1.00 0.60 C ATOM 316 CG LEU A 19 0.277 1.728 3.510 1.00 0.67 C ATOM 317 CD1 LEU A 19 -0.725 1.024 4.425 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.418 0.778 3.142 1.00 0.69 C ATOM 0 H LEU A 19 -2.600 1.229 2.425 1.00 0.68 H new ATOM 0 HA LEU A 19 -1.548 3.441 3.649 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.755 1.338 1.648 1.00 0.60 H new ATOM 0 HB3 LEU A 19 0.238 2.781 1.619 1.00 0.60 H new ATOM 0 HG LEU A 19 0.695 2.588 4.033 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.218 0.689 5.330 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -1.524 1.716 4.691 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -1.149 0.164 3.907 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.924 0.448 4.049 1.00 0.69 H new ATOM 0 HD22 LEU A 19 1.015 -0.088 2.616 1.00 0.69 H new ATOM 0 HD23 LEU A 19 2.129 1.296 2.498 1.00 0.69 H new ATOM 330 N ALA A 20 -2.212 3.995 0.467 1.00 0.62 N ATOM 331 CA ALA A 20 -2.308 5.114 -0.388 1.00 0.70 C ATOM 332 C ALA A 20 -3.446 5.956 -0.024 1.00 0.84 C ATOM 333 O ALA A 20 -3.237 7.136 0.333 1.00 1.21 O ATOM 334 CB ALA A 20 -2.502 4.638 -1.829 1.00 0.72 C ATOM 0 H ALA A 20 -2.502 3.105 0.061 1.00 0.62 H new ATOM 0 HA ALA A 20 -1.389 5.693 -0.292 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -2.576 5.501 -2.490 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -1.652 4.025 -2.127 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -3.416 4.049 -1.898 1.00 0.72 H new ATOM 340 N PHE A 21 -4.693 5.461 -0.105 1.00 0.88 N ATOM 341 CA PHE A 21 -5.849 6.210 0.236 1.00 1.18 C ATOM 342 C PHE A 21 -5.754 7.620 -0.147 1.00 1.61 C ATOM 343 O PHE A 21 -6.007 8.503 0.702 1.00 2.22 O ATOM 344 CB PHE A 21 -6.117 6.097 1.737 1.00 1.29 C ATOM 345 CG PHE A 21 -7.404 6.714 2.042 1.00 1.16 C ATOM 346 CD1 PHE A 21 -8.578 6.130 1.580 1.00 1.41 C ATOM 347 CD2 PHE A 21 -7.459 7.871 2.811 1.00 1.63 C ATOM 348 CE1 PHE A 21 -9.806 6.710 1.876 1.00 1.60 C ATOM 349 CE2 PHE A 21 -8.688 8.449 3.109 1.00 1.73 C ATOM 350 CZ PHE A 21 -9.861 7.869 2.641 1.00 1.50 C ATOM 0 H PHE A 21 -4.897 4.512 -0.417 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.678 5.785 -0.329 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.121 5.050 2.040 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -5.322 6.588 2.299 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -8.536 5.226 0.991 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -6.548 8.321 3.177 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -10.718 6.260 1.511 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -8.731 9.349 3.704 1.00 1.73 H new ATOM 0 HZ PHE A 21 -10.815 8.319 2.872 1.00 1.50 H new ATOM 360 N TYR A 22 -5.420 7.984 -1.394 1.00 1.98 N ATOM 361 CA TYR A 22 -5.284 9.353 -1.707 1.00 2.50 C ATOM 362 C TYR A 22 -5.306 9.535 -3.156 1.00 2.37 C ATOM 363 O TYR A 22 -4.621 8.780 -3.880 1.00 2.86 O ATOM 364 CB TYR A 22 -3.959 9.863 -1.136 1.00 3.05 C ATOM 365 CG TYR A 22 -3.860 11.303 -1.350 1.00 4.37 C ATOM 366 CD1 TYR A 22 -4.781 12.157 -0.754 1.00 4.86 C ATOM 367 CD2 TYR A 22 -2.856 11.820 -2.158 1.00 4.57 C ATOM 368 CE1 TYR A 22 -4.695 13.528 -0.964 1.00 5.31 C ATOM 369 CE2 TYR A 22 -2.770 13.191 -2.370 1.00 5.05 C ATOM 370 CZ TYR A 22 -3.690 14.045 -1.773 1.00 5.70 C ATOM 371 OH TYR A 22 -3.604 15.377 -1.975 1.00 5.94 O ATOM 0 H TYR A 22 -5.249 7.340 -2.166 1.00 1.98 H new ATOM 0 HA TYR A 22 -6.111 9.915 -1.272 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -3.899 9.638 -0.071 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -3.123 9.355 -1.617 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -5.564 11.755 -0.128 1.00 4.86 H new ATOM 0 HD2 TYR A 22 -2.141 11.156 -2.622 1.00 4.57 H new ATOM 0 HE1 TYR A 22 -5.409 14.192 -0.499 1.00 5.31 H new ATOM 0 HE2 TYR A 22 -1.989 13.593 -2.998 1.00 5.05 H new ATOM 0 HH TYR A 22 -2.845 15.570 -2.564 1.00 5.94 H new ATOM 381 N PHE A 23 -6.038 10.523 -3.694 1.00 2.53 N ATOM 382 CA PHE A 23 -6.128 10.709 -5.094 1.00 3.15 C ATOM 383 C PHE A 23 -4.891 11.235 -5.675 1.00 3.06 C ATOM 384 O PHE A 23 -4.858 12.393 -6.144 1.00 3.59 O ATOM 385 CB PHE A 23 -7.253 11.707 -5.372 1.00 3.86 C ATOM 386 CG PHE A 23 -7.536 11.741 -6.804 1.00 4.35 C ATOM 387 CD1 PHE A 23 -8.134 10.648 -7.421 1.00 4.54 C ATOM 388 CD2 PHE A 23 -7.199 12.861 -7.555 1.00 5.12 C ATOM 389 CE1 PHE A 23 -8.412 10.683 -8.782 1.00 5.32 C ATOM 390 CE2 PHE A 23 -7.475 12.895 -8.917 1.00 5.84 C ATOM 391 CZ PHE A 23 -8.085 11.807 -9.530 1.00 6.77 C ATOM 0 H PHE A 23 -6.572 11.198 -3.146 1.00 2.53 H new ATOM 0 HA PHE A 23 -6.319 9.736 -5.548 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -8.149 11.423 -4.821 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -6.966 12.699 -5.024 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -8.383 9.771 -6.842 1.00 4.54 H new ATOM 0 HD2 PHE A 23 -6.722 13.706 -7.080 1.00 5.12 H new ATOM 0 HE1 PHE A 23 -8.883 9.836 -9.259 1.00 5.32 H new ATOM 0 HE2 PHE A 23 -7.215 13.767 -9.499 1.00 5.84 H new ATOM 0 HZ PHE A 23 -8.305 11.835 -10.587 1.00 6.77 H new ATOM 401 N ASP A 24 -3.815 10.439 -5.738 1.00 2.69 N ATOM 402 CA ASP A 24 -2.594 10.835 -6.325 1.00 2.83 C ATOM 403 C ASP A 24 -1.734 9.657 -6.315 1.00 2.45 C ATOM 404 O ASP A 24 -0.879 9.486 -7.210 1.00 2.75 O ATOM 405 CB ASP A 24 -1.924 11.960 -5.535 1.00 3.31 C ATOM 406 CG ASP A 24 -0.732 12.412 -6.248 1.00 3.96 C ATOM 407 OD1 ASP A 24 -0.832 12.861 -7.410 1.00 4.25 O ATOM 408 OD2 ASP A 24 0.388 12.350 -5.696 1.00 4.50 O ATOM 0 H ASP A 24 -3.801 9.489 -5.366 1.00 2.69 H new ATOM 0 HA ASP A 24 -2.768 11.213 -7.332 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -2.618 12.790 -5.403 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -1.654 11.609 -4.539 1.00 3.31 H new ATOM 413 N ARG A 25 -1.900 8.749 -5.341 1.00 2.47 N ATOM 414 CA ARG A 25 -1.159 7.553 -5.336 1.00 2.98 C ATOM 415 C ARG A 25 -2.054 6.484 -5.767 1.00 2.31 C ATOM 416 O ARG A 25 -1.632 5.311 -5.853 1.00 2.72 O ATOM 417 CB ARG A 25 -0.659 7.245 -3.922 1.00 4.09 C ATOM 418 CG ARG A 25 0.228 8.382 -3.416 1.00 4.69 C ATOM 419 CD ARG A 25 1.479 8.480 -4.290 1.00 5.33 C ATOM 420 NE ARG A 25 2.229 7.286 -4.220 1.00 5.75 N ATOM 421 CZ ARG A 25 3.241 7.111 -5.082 1.00 6.57 C ATOM 422 NH1 ARG A 25 3.493 8.048 -6.006 1.00 7.02 N ATOM 423 NH2 ARG A 25 4.006 6.012 -5.035 1.00 7.21 N ATOM 0 H ARG A 25 -2.550 8.853 -4.562 1.00 2.47 H new ATOM 0 HA ARG A 25 -0.297 7.642 -5.998 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -1.507 7.109 -3.250 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -0.099 6.310 -3.922 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -0.320 9.324 -3.440 1.00 4.69 H new ATOM 0 HG3 ARG A 25 0.509 8.204 -2.378 1.00 4.69 H new ATOM 0 HD2 ARG A 25 1.193 8.676 -5.323 1.00 5.33 H new ATOM 0 HD3 ARG A 25 2.092 9.320 -3.964 1.00 5.33 H new ATOM 0 HE ARG A 25 2.006 6.571 -3.528 1.00 5.75 H new ATOM 0 HH11 ARG A 25 2.917 8.888 -6.051 1.00 7.02 H new ATOM 0 HH12 ARG A 25 4.261 7.921 -6.665 1.00 7.02 H new ATOM 0 HH21 ARG A 25 3.823 5.292 -4.336 1.00 7.21 H new ATOM 0 HH22 ARG A 25 4.772 5.895 -5.698 1.00 7.21 H new ATOM 437 N ARG A 26 -3.335 6.769 -6.045 1.00 1.76 N ATOM 438 CA ARG A 26 -4.216 5.753 -6.465 1.00 1.34 C ATOM 439 C ARG A 26 -5.442 6.334 -7.004 1.00 1.20 C ATOM 440 O ARG A 26 -5.630 7.569 -6.957 1.00 2.05 O ATOM 441 CB ARG A 26 -4.621 4.880 -5.280 1.00 2.02 C ATOM 442 CG ARG A 26 -5.355 5.760 -4.269 1.00 2.50 C ATOM 443 CD ARG A 26 -6.011 4.875 -3.213 1.00 2.91 C ATOM 444 NE ARG A 26 -7.046 4.133 -3.814 1.00 3.64 N ATOM 445 CZ ARG A 26 -7.574 3.101 -3.147 1.00 4.57 C ATOM 446 NH1 ARG A 26 -7.083 2.787 -1.943 1.00 5.01 N ATOM 447 NH2 ARG A 26 -8.580 2.386 -3.669 1.00 5.37 N ATOM 0 H ARG A 26 -3.750 7.698 -5.977 1.00 1.76 H new ATOM 0 HA ARG A 26 -3.700 5.164 -7.223 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -5.263 4.064 -5.611 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -3.741 4.428 -4.822 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -4.657 6.452 -3.798 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -6.109 6.363 -4.774 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -5.273 4.204 -2.773 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -6.408 5.487 -2.403 1.00 2.91 H new ATOM 0 HE ARG A 26 -7.388 4.379 -4.743 1.00 3.64 H new ATOM 0 HH11 ARG A 26 -6.317 3.332 -1.547 1.00 5.01 H new ATOM 0 HH12 ARG A 26 -7.475 2.003 -1.421 1.00 5.01 H new ATOM 0 HH21 ARG A 26 -8.954 2.626 -4.587 1.00 5.37 H new ATOM 0 HH22 ARG A 26 -8.972 1.602 -3.148 1.00 5.37 H new ATOM 461 N LEU A 27 -6.358 5.508 -7.529 1.00 0.90 N ATOM 462 CA LEU A 27 -7.638 5.945 -7.942 1.00 0.73 C ATOM 463 C LEU A 27 -7.623 6.816 -9.121 1.00 0.78 C ATOM 464 O LEU A 27 -8.717 7.222 -9.568 1.00 1.03 O ATOM 465 CB LEU A 27 -8.279 6.671 -6.752 1.00 0.72 C ATOM 466 CG LEU A 27 -9.809 6.659 -6.829 1.00 0.80 C ATOM 467 CD1 LEU A 27 -10.308 7.443 -8.041 1.00 1.23 C ATOM 468 CD2 LEU A 27 -10.308 5.217 -6.916 1.00 0.86 C ATOM 0 H LEU A 27 -6.199 4.510 -7.668 1.00 0.90 H new ATOM 0 HA LEU A 27 -8.212 5.070 -8.246 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -7.959 6.198 -5.824 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -7.926 7.702 -6.723 1.00 0.72 H new ATOM 0 HG LEU A 27 -10.198 7.134 -5.928 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -11.397 7.416 -8.068 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -9.972 8.477 -7.969 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.911 6.996 -8.952 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -11.397 5.211 -6.971 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -9.897 4.743 -7.808 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -9.986 4.667 -6.032 1.00 0.86 H new ATOM 480 N THR A 28 -6.504 7.169 -9.772 1.00 0.82 N ATOM 481 CA THR A 28 -6.629 7.993 -10.910 1.00 0.94 C ATOM 482 C THR A 28 -6.809 7.110 -12.059 1.00 0.88 C ATOM 483 O THR A 28 -6.522 5.904 -11.925 1.00 0.81 O ATOM 484 CB THR A 28 -5.365 8.833 -11.105 1.00 1.13 C ATOM 485 OG1 THR A 28 -4.285 7.985 -11.458 1.00 1.31 O ATOM 486 CG2 THR A 28 -5.016 9.555 -9.802 1.00 1.26 C ATOM 0 H THR A 28 -5.555 6.894 -9.519 1.00 0.82 H new ATOM 0 HA THR A 28 -7.472 8.675 -10.795 1.00 0.94 H new ATOM 0 HB THR A 28 -5.542 9.563 -11.895 1.00 1.13 H new ATOM 0 HG1 THR A 28 -3.439 8.464 -11.334 1.00 1.31 H new ATOM 0 HG21 THR A 28 -4.115 10.152 -9.947 1.00 1.26 H new ATOM 0 HG22 THR A 28 -5.841 10.207 -9.515 1.00 1.26 H new ATOM 0 HG23 THR A 28 -4.843 8.821 -9.015 1.00 1.26 H new ATOM 494 N PRO A 29 -7.280 7.549 -13.236 1.00 0.93 N ATOM 495 CA PRO A 29 -7.455 6.694 -14.352 1.00 0.90 C ATOM 496 C PRO A 29 -6.301 5.897 -14.643 1.00 0.83 C ATOM 497 O PRO A 29 -6.435 4.734 -14.988 1.00 0.82 O ATOM 498 CB PRO A 29 -7.731 7.672 -15.494 1.00 1.01 C ATOM 499 CG PRO A 29 -8.411 8.842 -14.785 1.00 1.11 C ATOM 500 CD PRO A 29 -7.686 8.901 -13.439 1.00 1.07 C ATOM 0 HA PRO A 29 -8.248 5.966 -14.180 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -6.812 7.981 -15.992 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.375 7.232 -16.256 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -8.300 9.771 -15.344 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -9.480 8.671 -14.660 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -6.833 9.579 -13.469 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -8.342 9.250 -12.642 1.00 1.07 H new ATOM 508 N GLU A 30 -5.104 6.419 -14.544 1.00 0.83 N ATOM 509 CA GLU A 30 -3.956 5.646 -14.810 1.00 0.81 C ATOM 510 C GLU A 30 -3.624 4.790 -13.671 1.00 0.79 C ATOM 511 O GLU A 30 -3.381 3.578 -13.859 1.00 0.85 O ATOM 512 CB GLU A 30 -2.788 6.589 -15.104 1.00 0.89 C ATOM 513 CG GLU A 30 -1.543 5.765 -15.438 1.00 1.46 C ATOM 514 CD GLU A 30 -0.442 6.659 -15.784 1.00 2.09 C ATOM 515 OE1 GLU A 30 -0.556 7.447 -16.748 1.00 2.62 O ATOM 516 OE2 GLU A 30 0.618 6.633 -15.121 1.00 2.72 O ATOM 0 H GLU A 30 -4.917 7.386 -14.278 1.00 0.83 H new ATOM 0 HA GLU A 30 -4.151 5.004 -15.669 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -3.037 7.246 -15.937 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -2.595 7.227 -14.242 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -1.266 5.144 -14.586 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -1.753 5.091 -16.269 1.00 1.46 H new ATOM 523 N TRP A 31 -3.583 5.293 -12.428 1.00 0.78 N ATOM 524 CA TRP A 31 -3.206 4.473 -11.341 1.00 0.79 C ATOM 525 C TRP A 31 -4.097 3.333 -11.141 1.00 0.70 C ATOM 526 O TRP A 31 -3.637 2.328 -10.563 1.00 0.71 O ATOM 527 CB TRP A 31 -3.103 5.261 -10.036 1.00 0.93 C ATOM 528 CG TRP A 31 -1.721 5.693 -9.835 1.00 1.38 C ATOM 529 CD1 TRP A 31 -0.880 5.278 -8.807 1.00 2.29 C ATOM 530 CD2 TRP A 31 -0.973 6.567 -10.610 1.00 1.67 C ATOM 531 NE1 TRP A 31 0.310 5.889 -8.938 1.00 2.57 N ATOM 532 CE2 TRP A 31 0.270 6.675 -10.023 1.00 2.12 C ATOM 533 CE3 TRP A 31 -1.291 7.259 -11.767 1.00 2.37 C ATOM 534 CZ2 TRP A 31 1.251 7.495 -10.558 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -0.313 8.085 -12.317 1.00 3.11 C ATOM 536 CH2 TRP A 31 0.943 8.203 -11.718 1.00 3.01 C ATOM 0 H TRP A 31 -3.809 6.257 -12.184 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.222 4.089 -11.610 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -3.765 6.127 -10.068 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -3.427 4.643 -9.199 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -1.142 4.577 -8.028 1.00 2.29 H new ATOM 0 HE1 TRP A 31 1.110 5.774 -8.316 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -2.263 7.162 -12.227 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 2.221 7.582 -10.092 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -0.529 8.641 -13.218 1.00 3.11 H new ATOM 0 HH2 TRP A 31 1.685 8.851 -12.160 1.00 3.01 H new ATOM 547 N ARG A 32 -5.386 3.342 -11.508 1.00 0.69 N ATOM 548 CA ARG A 32 -6.194 2.201 -11.296 1.00 0.62 C ATOM 549 C ARG A 32 -5.628 1.057 -12.015 1.00 0.61 C ATOM 550 O ARG A 32 -5.542 -0.053 -11.445 1.00 0.60 O ATOM 551 CB ARG A 32 -7.584 2.490 -11.863 1.00 0.66 C ATOM 552 CG ARG A 32 -8.288 3.558 -11.024 1.00 0.89 C ATOM 553 CD ARG A 32 -9.519 4.047 -11.791 1.00 0.80 C ATOM 554 NE ARG A 32 -9.953 5.288 -11.280 1.00 0.83 N ATOM 555 CZ ARG A 32 -10.976 5.928 -11.862 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.610 5.372 -12.903 1.00 0.82 N ATOM 557 NH2 ARG A 32 -11.358 7.129 -11.407 1.00 0.97 N ATOM 0 H ARG A 32 -5.859 4.132 -11.946 1.00 0.69 H new ATOM 0 HA ARG A 32 -6.245 1.975 -10.231 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.500 2.827 -12.896 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -8.178 1.576 -11.873 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.582 3.147 -10.058 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.612 4.389 -10.824 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.281 4.145 -12.850 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.321 3.313 -11.712 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.489 5.697 -10.469 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.314 4.461 -13.253 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.389 5.860 -13.346 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -10.870 7.555 -10.619 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -12.137 7.618 -11.849 1.00 0.97 H new ATOM 571 N ARG A 33 -5.197 1.207 -13.277 1.00 0.66 N ATOM 572 CA ARG A 33 -4.620 0.134 -13.993 1.00 0.69 C ATOM 573 C ARG A 33 -3.321 -0.226 -13.425 1.00 0.72 C ATOM 574 O ARG A 33 -3.006 -1.431 -13.313 1.00 0.73 O ATOM 575 CB ARG A 33 -4.414 0.573 -15.444 1.00 0.80 C ATOM 576 CG ARG A 33 -3.826 -0.591 -16.242 1.00 1.16 C ATOM 577 CD ARG A 33 -3.682 -0.190 -17.712 1.00 1.14 C ATOM 578 NE ARG A 33 -3.128 -1.266 -18.436 1.00 1.66 N ATOM 579 CZ ARG A 33 -2.230 -1.030 -19.402 1.00 2.23 C ATOM 580 NH1 ARG A 33 -1.850 0.227 -19.668 1.00 2.26 N ATOM 581 NH2 ARG A 33 -1.712 -2.050 -20.100 1.00 3.10 N ATOM 0 H ARG A 33 -5.252 2.082 -13.799 1.00 0.66 H new ATOM 0 HA ARG A 33 -5.283 -0.729 -13.935 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -5.363 0.886 -15.880 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -3.745 1.433 -15.485 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -2.854 -0.869 -15.834 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -4.470 -1.466 -16.155 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -4.654 0.079 -18.125 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -3.044 0.690 -17.800 1.00 1.14 H new ATOM 0 HE ARG A 33 -3.411 -2.223 -18.224 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -2.244 1.002 -19.135 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -1.166 0.408 -20.403 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -2.001 -3.007 -19.896 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -1.028 -1.870 -20.835 1.00 3.10 H new ATOM 595 N TYR A 34 -2.488 0.750 -13.028 1.00 0.74 N ATOM 596 CA TYR A 34 -1.230 0.484 -12.437 1.00 0.77 C ATOM 597 C TYR A 34 -1.374 -0.398 -11.284 1.00 0.65 C ATOM 598 O TYR A 34 -0.566 -1.337 -11.110 1.00 0.68 O ATOM 599 CB TYR A 34 -0.650 1.813 -11.947 1.00 0.84 C ATOM 600 CG TYR A 34 0.511 1.591 -11.089 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.703 1.093 -11.603 1.00 1.24 C ATOM 602 CD2 TYR A 34 0.403 1.872 -9.732 1.00 1.37 C ATOM 603 CE1 TYR A 34 2.789 0.889 -10.757 1.00 1.18 C ATOM 604 CE2 TYR A 34 1.486 1.665 -8.887 1.00 1.65 C ATOM 605 CZ TYR A 34 2.681 1.177 -9.400 1.00 1.19 C ATOM 606 OH TYR A 34 3.740 0.994 -8.582 1.00 1.43 O ATOM 0 H TYR A 34 -2.700 1.743 -13.123 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.584 0.005 -13.172 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.364 2.426 -12.801 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.412 2.367 -11.398 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.786 0.865 -12.655 1.00 1.24 H new ATOM 0 HD2 TYR A 34 -0.526 2.252 -9.333 1.00 1.37 H new ATOM 0 HE1 TYR A 34 3.717 0.506 -11.155 1.00 1.18 H new ATOM 0 HE2 TYR A 34 1.399 1.883 -7.833 1.00 1.65 H new ATOM 0 HH TYR A 34 3.618 1.523 -7.766 1.00 1.43 H new ATOM 616 N LEU A 35 -2.360 -0.170 -10.407 1.00 0.56 N ATOM 617 CA LEU A 35 -2.526 -0.977 -9.267 1.00 0.49 C ATOM 618 C LEU A 35 -2.999 -2.303 -9.642 1.00 0.45 C ATOM 619 O LEU A 35 -2.373 -3.307 -9.244 1.00 0.46 O ATOM 620 CB LEU A 35 -3.601 -0.335 -8.389 1.00 0.58 C ATOM 621 CG LEU A 35 -3.074 0.983 -7.826 1.00 0.66 C ATOM 622 CD1 LEU A 35 -4.192 1.708 -7.075 1.00 1.03 C ATOM 623 CD2 LEU A 35 -1.921 0.684 -6.874 1.00 1.32 C ATOM 0 H LEU A 35 -3.043 0.582 -10.497 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.571 -1.065 -8.749 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -4.505 -0.159 -8.972 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -3.872 -1.008 -7.576 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.726 1.620 -8.639 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.812 2.648 -6.675 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -5.017 1.912 -7.758 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -4.546 1.082 -6.256 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -1.535 1.618 -6.465 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -2.275 0.051 -6.061 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -1.127 0.170 -7.415 1.00 1.32 H new ATOM 635 N SER A 36 -4.076 -2.423 -10.431 1.00 0.47 N ATOM 636 CA SER A 36 -4.646 -3.676 -10.751 1.00 0.48 C ATOM 637 C SER A 36 -3.676 -4.656 -11.235 1.00 0.59 C ATOM 638 O SER A 36 -3.785 -5.850 -10.877 1.00 0.66 O ATOM 639 CB SER A 36 -5.679 -3.459 -11.859 1.00 0.52 C ATOM 640 OG SER A 36 -6.726 -2.627 -11.384 1.00 1.35 O ATOM 0 H SER A 36 -4.557 -1.628 -10.853 1.00 0.47 H new ATOM 0 HA SER A 36 -5.080 -4.072 -9.833 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.204 -3.002 -12.727 1.00 0.52 H new ATOM 0 HB3 SER A 36 -6.083 -4.417 -12.185 1.00 0.52 H new ATOM 0 HG SER A 36 -6.436 -1.691 -11.407 1.00 1.35 H new ATOM 646 N GLN A 37 -2.685 -4.280 -12.055 1.00 0.67 N ATOM 647 CA GLN A 37 -1.790 -5.228 -12.597 1.00 0.80 C ATOM 648 C GLN A 37 -1.027 -5.952 -11.581 1.00 0.75 C ATOM 649 O GLN A 37 -0.712 -7.143 -11.795 1.00 0.86 O ATOM 650 CB GLN A 37 -0.795 -4.482 -13.489 1.00 0.92 C ATOM 651 CG GLN A 37 0.146 -5.488 -14.156 1.00 1.09 C ATOM 652 CD GLN A 37 -0.633 -6.425 -14.960 1.00 2.00 C ATOM 653 OE1 GLN A 37 -0.559 -7.652 -14.737 1.00 2.72 O ATOM 654 NE2 GLN A 37 -1.422 -5.968 -15.942 1.00 2.66 N ATOM 0 H GLN A 37 -2.509 -3.316 -12.339 1.00 0.67 H new ATOM 0 HA GLN A 37 -2.384 -5.960 -13.144 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -1.329 -3.909 -14.247 1.00 0.92 H new ATOM 0 HB3 GLN A 37 -0.222 -3.770 -12.896 1.00 0.92 H new ATOM 0 HG2 GLN A 37 0.868 -4.966 -14.784 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.715 -6.028 -13.399 1.00 1.09 H new ATOM 0 HE21 GLN A 37 -1.482 -4.966 -16.123 1.00 2.66 H new ATOM 0 HE22 GLN A 37 -1.963 -6.622 -16.508 1.00 2.66 H new ATOM 663 N ARG A 38 -0.643 -5.364 -10.440 1.00 0.65 N ATOM 664 CA ARG A 38 0.146 -6.078 -9.513 1.00 0.68 C ATOM 665 C ARG A 38 -0.553 -6.205 -8.234 1.00 0.59 C ATOM 666 O ARG A 38 -0.041 -6.855 -7.298 1.00 0.65 O ATOM 667 CB ARG A 38 1.477 -5.342 -9.348 1.00 0.74 C ATOM 668 CG ARG A 38 2.216 -5.393 -10.689 1.00 1.20 C ATOM 669 CD ARG A 38 3.575 -4.698 -10.593 1.00 1.55 C ATOM 670 NE ARG A 38 4.416 -5.396 -9.705 1.00 1.76 N ATOM 671 CZ ARG A 38 5.723 -5.103 -9.661 1.00 2.41 C ATOM 672 NH1 ARG A 38 6.238 -4.203 -10.511 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.514 -5.719 -8.772 1.00 3.06 N ATOM 0 H ARG A 38 -0.878 -4.409 -10.168 1.00 0.65 H new ATOM 0 HA ARG A 38 0.333 -7.088 -9.878 1.00 0.68 H new ATOM 0 HB2 ARG A 38 1.306 -4.309 -9.046 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.076 -5.808 -8.565 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.355 -6.431 -10.992 1.00 1.20 H new ATOM 0 HG3 ARG A 38 1.612 -4.914 -11.459 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.037 -4.648 -11.579 1.00 1.55 H new ATOM 0 HD3 ARG A 38 3.443 -3.672 -10.250 1.00 1.55 H new ATOM 0 HE ARG A 38 4.032 -6.121 -9.098 1.00 1.76 H new ATOM 0 HH11 ARG A 38 5.635 -3.741 -11.192 1.00 2.88 H new ATOM 0 HH12 ARG A 38 7.233 -3.980 -10.477 1.00 2.88 H new ATOM 0 HH21 ARG A 38 6.121 -6.409 -8.131 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.509 -5.498 -8.736 1.00 3.06 H new ATOM 687 N LEU A 39 -1.735 -5.597 -8.067 1.00 0.55 N ATOM 688 CA LEU A 39 -2.444 -5.662 -6.848 1.00 0.47 C ATOM 689 C LEU A 39 -3.248 -6.884 -6.809 1.00 0.51 C ATOM 690 O LEU A 39 -3.188 -7.630 -5.807 1.00 0.53 O ATOM 691 CB LEU A 39 -3.317 -4.410 -6.778 1.00 0.36 C ATOM 692 CG LEU A 39 -4.109 -4.349 -5.477 1.00 0.30 C ATOM 693 CD1 LEU A 39 -3.166 -4.309 -4.273 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.947 -3.071 -5.527 1.00 0.24 C ATOM 0 H LEU A 39 -2.200 -5.053 -8.794 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.773 -5.695 -5.990 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.689 -3.523 -6.864 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -4.004 -4.398 -7.624 1.00 0.36 H new ATOM 0 HG LEU A 39 -4.740 -5.231 -5.371 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -3.751 -4.266 -3.354 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.546 -5.205 -4.267 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.529 -3.427 -4.339 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -5.533 -2.984 -4.612 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -4.288 -2.207 -5.619 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.617 -3.109 -6.386 1.00 0.24 H new ATOM 706 N GLY A 40 -4.026 -7.216 -7.851 1.00 0.56 N ATOM 707 CA GLY A 40 -4.739 -8.437 -7.851 1.00 0.64 C ATOM 708 C GLY A 40 -6.160 -8.252 -8.142 1.00 0.60 C ATOM 709 O GLY A 40 -6.862 -9.250 -8.412 1.00 0.69 O ATOM 0 H GLY A 40 -4.156 -6.641 -8.683 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -4.304 -9.109 -8.591 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -4.629 -8.919 -6.879 1.00 0.64 H new ATOM 713 N LEU A 41 -6.727 -7.038 -8.125 1.00 0.54 N ATOM 714 CA LEU A 41 -8.091 -6.896 -8.463 1.00 0.54 C ATOM 715 C LEU A 41 -8.218 -5.875 -9.499 1.00 0.50 C ATOM 716 O LEU A 41 -7.208 -5.230 -9.850 1.00 0.59 O ATOM 717 CB LEU A 41 -8.958 -6.574 -7.242 1.00 0.56 C ATOM 718 CG LEU A 41 -8.356 -5.464 -6.380 1.00 0.59 C ATOM 719 CD1 LEU A 41 -7.227 -6.045 -5.530 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.821 -4.341 -7.268 1.00 1.25 C ATOM 0 H LEU A 41 -6.246 -6.172 -7.881 1.00 0.54 H new ATOM 0 HA LEU A 41 -8.459 -7.847 -8.847 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.952 -6.275 -7.574 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -9.081 -7.474 -6.639 1.00 0.56 H new ATOM 0 HG LEU A 41 -9.126 -5.052 -5.728 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -6.794 -5.258 -4.913 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -7.623 -6.832 -4.888 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -6.458 -6.460 -6.181 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -7.394 -3.556 -6.644 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -7.051 -4.736 -7.930 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -8.635 -3.929 -7.864 1.00 1.25 H new ATOM 732 N ASN A 42 -9.393 -5.651 -10.106 1.00 0.51 N ATOM 733 CA ASN A 42 -9.478 -4.714 -11.159 1.00 0.53 C ATOM 734 C ASN A 42 -9.800 -3.364 -10.717 1.00 0.43 C ATOM 735 O ASN A 42 -10.058 -3.105 -9.522 1.00 0.38 O ATOM 736 CB ASN A 42 -10.510 -5.165 -12.192 1.00 0.66 C ATOM 737 CG ASN A 42 -9.918 -6.210 -13.019 1.00 0.81 C ATOM 738 OD1 ASN A 42 -10.307 -7.394 -12.924 1.00 1.11 O ATOM 739 ND2 ASN A 42 -8.933 -5.882 -13.867 1.00 1.45 N ATOM 0 H ASN A 42 -10.269 -6.115 -9.867 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.483 -4.676 -11.603 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.405 -5.539 -11.694 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.818 -4.322 -12.811 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -8.494 -6.601 -14.442 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -8.622 -4.913 -13.938 1.00 1.45 H new ATOM 746 N GLU A 43 -9.803 -2.408 -11.660 1.00 0.47 N ATOM 747 CA GLU A 43 -10.033 -1.047 -11.373 1.00 0.45 C ATOM 748 C GLU A 43 -11.317 -0.850 -10.703 1.00 0.40 C ATOM 749 O GLU A 43 -11.471 0.127 -9.939 1.00 0.38 O ATOM 750 CB GLU A 43 -10.045 -0.279 -12.697 1.00 0.57 C ATOM 751 CG GLU A 43 -8.848 -0.700 -13.555 1.00 0.68 C ATOM 752 CD GLU A 43 -9.110 -2.012 -14.146 1.00 0.88 C ATOM 753 OE1 GLU A 43 -10.111 -2.170 -14.878 1.00 1.31 O ATOM 754 OE2 GLU A 43 -8.350 -2.979 -13.919 1.00 1.78 O ATOM 0 H GLU A 43 -9.640 -2.598 -12.649 1.00 0.47 H new ATOM 0 HA GLU A 43 -9.246 -0.689 -10.709 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.974 -0.475 -13.232 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -10.007 0.793 -12.506 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -8.673 0.036 -14.340 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.945 -0.737 -12.945 1.00 0.68 H new ATOM 761 N GLU A 44 -12.315 -1.724 -10.897 1.00 0.46 N ATOM 762 CA GLU A 44 -13.545 -1.593 -10.223 1.00 0.46 C ATOM 763 C GLU A 44 -13.334 -1.721 -8.784 1.00 0.40 C ATOM 764 O GLU A 44 -13.927 -0.958 -7.992 1.00 0.43 O ATOM 765 CB GLU A 44 -14.482 -2.709 -10.689 1.00 0.60 C ATOM 766 CG GLU A 44 -15.820 -2.578 -9.960 1.00 1.05 C ATOM 767 CD GLU A 44 -16.749 -3.591 -10.453 1.00 1.48 C ATOM 768 OE1 GLU A 44 -16.464 -4.804 -10.352 1.00 1.78 O ATOM 769 OE2 GLU A 44 -17.831 -3.245 -10.974 1.00 2.31 O ATOM 0 H GLU A 44 -12.260 -2.524 -11.527 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.979 -0.617 -10.440 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -14.634 -2.647 -11.767 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -14.037 -3.683 -10.485 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -15.674 -2.696 -8.886 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -16.235 -1.582 -10.117 1.00 1.05 H new ATOM 776 N GLN A 45 -12.491 -2.643 -8.301 1.00 0.40 N ATOM 777 CA GLN A 45 -12.323 -2.785 -6.908 1.00 0.41 C ATOM 778 C GLN A 45 -11.489 -1.712 -6.367 1.00 0.34 C ATOM 779 O GLN A 45 -11.368 -1.600 -5.128 1.00 0.41 O ATOM 780 CB GLN A 45 -11.677 -4.138 -6.617 1.00 0.51 C ATOM 781 CG GLN A 45 -12.561 -5.254 -7.179 1.00 0.60 C ATOM 782 CD GLN A 45 -13.890 -5.189 -6.578 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.890 -4.974 -7.296 1.00 0.90 O ATOM 784 NE2 GLN A 45 -14.040 -5.358 -5.258 1.00 0.97 N ATOM 0 H GLN A 45 -11.935 -3.279 -8.872 1.00 0.40 H new ATOM 0 HA GLN A 45 -13.301 -2.727 -6.430 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.685 -4.184 -7.066 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.547 -4.268 -5.543 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.638 -5.158 -8.262 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -12.108 -6.225 -6.976 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -13.225 -5.534 -4.670 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.969 -5.311 -4.840 1.00 0.97 H new ATOM 793 N ILE A 46 -10.852 -0.856 -7.180 1.00 0.28 N ATOM 794 CA ILE A 46 -10.118 0.228 -6.655 1.00 0.30 C ATOM 795 C ILE A 46 -11.085 1.262 -6.301 1.00 0.39 C ATOM 796 O ILE A 46 -11.051 1.812 -5.179 1.00 0.52 O ATOM 797 CB ILE A 46 -9.179 0.778 -7.734 1.00 0.35 C ATOM 798 CG1 ILE A 46 -8.195 -0.304 -8.180 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.392 1.968 -7.180 1.00 0.45 C ATOM 800 CD1 ILE A 46 -7.337 -0.728 -6.988 1.00 0.38 C ATOM 0 H ILE A 46 -10.850 -0.921 -8.198 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.528 -0.081 -5.792 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.779 1.096 -8.587 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.736 -1.163 -8.577 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.562 0.073 -8.983 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.726 2.355 -7.951 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -9.085 2.751 -6.873 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.804 1.647 -6.321 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.634 -1.500 -7.302 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.786 0.134 -6.612 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.979 -1.121 -6.199 1.00 0.38 H new ATOM 812 N GLU A 47 -12.020 1.590 -7.205 1.00 0.38 N ATOM 813 CA GLU A 47 -12.997 2.572 -6.939 1.00 0.47 C ATOM 814 C GLU A 47 -13.917 2.126 -5.896 1.00 0.51 C ATOM 815 O GLU A 47 -14.374 2.952 -5.076 1.00 0.61 O ATOM 816 CB GLU A 47 -13.796 2.796 -8.222 1.00 0.50 C ATOM 817 CG GLU A 47 -12.879 3.386 -9.295 1.00 0.52 C ATOM 818 CD GLU A 47 -13.639 3.572 -10.527 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.651 4.305 -10.533 1.00 1.11 O ATOM 820 OE2 GLU A 47 -13.275 3.002 -11.579 1.00 1.21 O ATOM 0 H GLU A 47 -12.092 1.164 -8.129 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.505 3.485 -6.603 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -14.220 1.854 -8.569 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.631 3.470 -8.031 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.471 4.339 -8.958 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -12.033 2.722 -9.472 1.00 0.52 H new ATOM 827 N ARG A 48 -14.263 0.833 -5.811 1.00 0.47 N ATOM 828 CA ARG A 48 -15.169 0.405 -4.819 1.00 0.55 C ATOM 829 C ARG A 48 -14.504 0.316 -3.525 1.00 0.60 C ATOM 830 O ARG A 48 -15.094 0.797 -2.538 1.00 0.68 O ATOM 831 CB ARG A 48 -15.745 -0.964 -5.187 1.00 0.56 C ATOM 832 CG ARG A 48 -17.065 -0.786 -5.944 1.00 0.63 C ATOM 833 CD ARG A 48 -16.846 -0.053 -7.269 1.00 0.60 C ATOM 834 NE ARG A 48 -18.070 0.028 -7.964 1.00 0.71 N ATOM 835 CZ ARG A 48 -18.110 0.560 -9.193 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.989 1.024 -9.762 1.00 0.80 N ATOM 837 NH2 ARG A 48 -19.273 0.629 -9.854 1.00 0.94 N ATOM 0 H ARG A 48 -13.915 0.097 -6.426 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.977 1.134 -4.756 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -15.034 -1.514 -5.803 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -15.909 -1.554 -4.285 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -17.513 -1.761 -6.134 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.769 -0.227 -5.327 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.453 0.947 -7.084 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -16.106 -0.580 -7.872 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.926 -0.319 -7.531 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -16.103 0.973 -9.259 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.022 1.429 -10.698 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -20.127 0.277 -9.422 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.305 1.034 -10.790 1.00 0.94 H new ATOM 851 N TRP A 49 -13.288 -0.223 -3.359 1.00 0.56 N ATOM 852 CA TRP A 49 -12.710 -0.237 -2.067 1.00 0.64 C ATOM 853 C TRP A 49 -12.620 1.129 -1.560 1.00 0.69 C ATOM 854 O TRP A 49 -12.877 1.365 -0.360 1.00 0.81 O ATOM 855 CB TRP A 49 -11.287 -0.798 -2.105 1.00 0.75 C ATOM 856 CG TRP A 49 -10.767 -0.888 -0.738 1.00 1.06 C ATOM 857 CD1 TRP A 49 -10.876 -1.985 0.111 1.00 0.90 C ATOM 858 CD2 TRP A 49 -10.098 0.086 -0.010 1.00 1.95 C ATOM 859 NE1 TRP A 49 -10.291 -1.697 1.286 1.00 1.29 N ATOM 860 CE2 TRP A 49 -9.814 -0.446 1.230 1.00 1.98 C ATOM 861 CE3 TRP A 49 -9.729 1.380 -0.341 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -9.140 0.285 2.195 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -9.067 2.134 0.627 1.00 3.66 C ATOM 864 CH2 TRP A 49 -8.771 1.591 1.879 1.00 3.63 C ATOM 0 H TRP A 49 -12.722 -0.637 -4.100 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.338 -0.861 -1.431 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.284 -1.782 -2.573 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.646 -0.156 -2.709 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -11.355 -2.921 -0.136 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -10.222 -2.325 2.086 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -9.947 1.791 -1.316 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -8.909 -0.143 3.159 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -8.779 3.151 0.406 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -8.250 2.190 2.611 1.00 3.63 H new ATOM 875 N PHE A 50 -12.224 2.106 -2.390 1.00 0.65 N ATOM 876 CA PHE A 50 -12.051 3.434 -1.947 1.00 0.72 C ATOM 877 C PHE A 50 -13.280 3.995 -1.384 1.00 0.78 C ATOM 878 O PHE A 50 -13.290 4.414 -0.205 1.00 0.89 O ATOM 879 CB PHE A 50 -11.619 4.265 -3.157 1.00 0.72 C ATOM 880 CG PHE A 50 -11.323 5.640 -2.769 1.00 0.86 C ATOM 881 CD1 PHE A 50 -10.206 5.911 -1.987 1.00 1.66 C ATOM 882 CD2 PHE A 50 -12.147 6.678 -3.187 1.00 1.33 C ATOM 883 CE1 PHE A 50 -9.908 7.221 -1.629 1.00 2.06 C ATOM 884 CE2 PHE A 50 -11.851 7.988 -2.825 1.00 1.54 C ATOM 885 CZ PHE A 50 -10.732 8.259 -2.047 1.00 1.68 C ATOM 0 H PHE A 50 -12.023 1.964 -3.380 1.00 0.65 H new ATOM 0 HA PHE A 50 -11.303 3.451 -1.155 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.738 3.815 -3.616 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -12.409 4.257 -3.908 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -9.569 5.103 -1.657 1.00 1.66 H new ATOM 0 HD2 PHE A 50 -13.016 6.468 -3.792 1.00 1.33 H new ATOM 0 HE1 PHE A 50 -9.037 7.432 -1.027 1.00 2.06 H new ATOM 0 HE2 PHE A 50 -12.491 8.795 -3.149 1.00 1.54 H new ATOM 0 HZ PHE A 50 -10.503 9.277 -1.767 1.00 1.68 H new ATOM 895 N ARG A 51 -14.394 4.106 -2.123 1.00 0.74 N ATOM 896 CA ARG A 51 -15.525 4.723 -1.549 1.00 0.81 C ATOM 897 C ARG A 51 -16.250 3.818 -0.654 1.00 0.87 C ATOM 898 O ARG A 51 -16.705 4.267 0.418 1.00 0.99 O ATOM 899 CB ARG A 51 -16.403 5.312 -2.659 1.00 0.79 C ATOM 900 CG ARG A 51 -17.086 4.239 -3.508 1.00 0.78 C ATOM 901 CD ARG A 51 -18.501 4.018 -2.969 1.00 1.14 C ATOM 902 NE ARG A 51 -19.182 3.088 -3.780 1.00 1.47 N ATOM 903 CZ ARG A 51 -20.391 3.391 -4.273 1.00 1.92 C ATOM 904 NH1 ARG A 51 -20.944 4.582 -4.006 1.00 2.21 N ATOM 905 NH2 ARG A 51 -21.045 2.504 -5.034 1.00 2.45 N ATOM 0 H ARG A 51 -14.504 3.779 -3.083 1.00 0.74 H new ATOM 0 HA ARG A 51 -15.199 5.545 -0.912 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -17.163 5.954 -2.213 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -15.791 5.943 -3.303 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -17.123 4.550 -4.552 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -16.518 3.309 -3.472 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -18.456 3.655 -1.942 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -19.044 4.963 -2.949 1.00 1.14 H new ATOM 0 HE ARG A 51 -18.756 2.186 -3.991 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -20.445 5.258 -3.428 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -21.864 4.813 -4.381 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -20.623 1.598 -5.238 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.965 2.734 -5.409 1.00 2.45 H new ATOM 919 N ARG A 52 -16.404 2.510 -0.919 1.00 0.83 N ATOM 920 CA ARG A 52 -17.085 1.668 -0.004 1.00 0.98 C ATOM 921 C ARG A 52 -16.390 1.534 1.279 1.00 1.11 C ATOM 922 O ARG A 52 -16.942 0.874 2.186 1.00 1.27 O ATOM 923 CB ARG A 52 -17.265 0.266 -0.597 1.00 1.02 C ATOM 924 CG ARG A 52 -18.168 0.318 -1.831 1.00 1.24 C ATOM 925 CD ARG A 52 -19.639 0.347 -1.403 1.00 1.32 C ATOM 926 NE ARG A 52 -19.958 1.589 -0.817 1.00 1.80 N ATOM 927 CZ ARG A 52 -21.115 1.740 -0.157 1.00 2.26 C ATOM 928 NH1 ARG A 52 -21.957 0.706 -0.029 1.00 2.17 N ATOM 929 NH2 ARG A 52 -21.432 2.929 0.374 1.00 3.08 N ATOM 0 H ARG A 52 -16.059 2.045 -1.759 1.00 0.83 H new ATOM 0 HA ARG A 52 -18.049 2.143 0.176 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -16.294 -0.148 -0.867 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -17.698 -0.399 0.150 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -17.936 1.202 -2.425 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -17.982 -0.549 -2.465 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -20.279 0.171 -2.268 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -19.833 -0.457 -0.693 1.00 1.32 H new ATOM 0 HE ARG A 52 -19.309 2.372 -0.895 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -21.718 -0.199 -0.434 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -22.837 0.824 0.474 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -20.793 3.718 0.276 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -22.312 3.045 0.876 1.00 3.08 H new ATOM 943 N LYS A 53 -15.193 2.089 1.526 1.00 1.08 N ATOM 944 CA LYS A 53 -14.601 1.927 2.795 1.00 1.25 C ATOM 945 C LYS A 53 -14.905 3.116 3.589 1.00 1.35 C ATOM 946 O LYS A 53 -15.515 3.000 4.673 1.00 1.57 O ATOM 947 CB LYS A 53 -13.088 1.755 2.644 1.00 1.20 C ATOM 948 CG LYS A 53 -12.470 1.405 3.998 1.00 1.31 C ATOM 949 CD LYS A 53 -12.822 -0.042 4.347 1.00 1.89 C ATOM 950 CE LYS A 53 -12.068 -0.461 5.610 1.00 2.23 C ATOM 951 NZ LYS A 53 -12.591 0.282 6.755 1.00 2.62 N ATOM 0 H LYS A 53 -14.652 2.637 0.857 1.00 1.08 H new ATOM 0 HA LYS A 53 -14.994 1.039 3.291 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -12.872 0.968 1.921 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -12.645 2.673 2.258 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.388 1.531 3.962 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -12.844 2.080 4.768 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -13.896 -0.138 4.503 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -12.560 -0.701 3.519 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -12.180 -1.533 5.775 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -11.002 -0.267 5.492 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -12.152 -0.073 7.629 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -12.372 1.292 6.643 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -13.622 0.156 6.809 1.00 2.62 H new ATOM 965 N GLU A 54 -14.553 4.333 3.146 1.00 1.24 N ATOM 966 CA GLU A 54 -14.861 5.494 3.893 1.00 1.34 C ATOM 967 C GLU A 54 -16.304 5.736 3.943 1.00 1.32 C ATOM 968 O GLU A 54 -16.769 6.493 4.820 1.00 1.39 O ATOM 969 CB GLU A 54 -14.177 6.703 3.247 1.00 1.34 C ATOM 970 CG GLU A 54 -14.763 6.918 1.849 1.00 1.18 C ATOM 971 CD GLU A 54 -14.120 8.053 1.193 1.00 1.29 C ATOM 972 OE1 GLU A 54 -12.890 8.038 0.969 1.00 1.61 O ATOM 973 OE2 GLU A 54 -14.806 9.039 0.846 1.00 1.87 O ATOM 0 H GLU A 54 -14.057 4.506 2.272 1.00 1.24 H new ATOM 0 HA GLU A 54 -14.503 5.345 4.912 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -14.327 7.592 3.859 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -13.101 6.538 3.183 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -14.626 6.018 1.249 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -15.836 7.093 1.921 1.00 1.18 H new ATOM 980 N GLN A 55 -17.142 5.157 3.070 1.00 1.23 N ATOM 981 CA GLN A 55 -18.529 5.408 3.153 1.00 1.27 C ATOM 982 C GLN A 55 -19.174 4.380 3.959 1.00 1.33 C ATOM 983 O GLN A 55 -20.409 4.439 4.144 1.00 1.41 O ATOM 984 CB GLN A 55 -19.163 5.411 1.760 1.00 1.22 C ATOM 985 CG GLN A 55 -18.632 6.578 0.925 1.00 1.34 C ATOM 986 CD GLN A 55 -19.003 7.839 1.560 1.00 2.13 C ATOM 987 OE1 GLN A 55 -18.065 8.749 1.854 1.00 2.59 O flip ATOM 988 NE2 GLN A 55 -20.202 8.071 1.828 1.00 2.88 N flip ATOM 0 H GLN A 55 -16.858 4.526 2.321 1.00 1.23 H new ATOM 0 HA GLN A 55 -18.668 6.386 3.614 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -18.948 4.469 1.255 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -20.247 5.485 1.849 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -17.548 6.510 0.833 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -19.041 6.533 -0.084 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -20.918 7.379 1.605 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -20.465 8.952 2.270 1.00 2.88 H new ATOM 997 N GLN A 56 -18.460 3.380 4.495 1.00 1.34 N ATOM 998 CA GLN A 56 -19.090 2.412 5.302 1.00 1.42 C ATOM 999 C GLN A 56 -19.544 3.033 6.543 1.00 1.54 C ATOM 1000 O GLN A 56 -20.674 2.756 7.002 1.00 1.59 O ATOM 1001 CB GLN A 56 -18.084 1.307 5.634 1.00 1.47 C ATOM 1002 CG GLN A 56 -18.764 0.219 6.469 1.00 1.66 C ATOM 1003 CD GLN A 56 -19.839 -0.400 5.699 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -19.596 -0.920 4.589 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -21.088 -0.409 6.184 1.00 2.10 N ATOM 0 H GLN A 56 -17.457 3.249 4.366 1.00 1.34 H new ATOM 0 HA GLN A 56 -19.944 1.992 4.770 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -17.686 0.877 4.715 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -17.240 1.724 6.182 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -18.034 -0.536 6.763 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -19.164 0.650 7.387 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -21.286 0.015 7.090 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -21.840 -0.840 5.647 1.00 2.10 H new ATOM 1014 N ILE A 57 -18.752 3.894 7.199 1.00 1.64 N ATOM 1015 CA ILE A 57 -19.198 4.453 8.413 1.00 1.81 C ATOM 1016 C ILE A 57 -19.729 5.806 8.243 1.00 1.89 C ATOM 1017 O ILE A 57 -20.447 6.277 9.151 1.00 2.07 O ATOM 1018 CB ILE A 57 -18.084 4.435 9.461 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -17.517 5.843 9.652 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -16.974 3.496 8.983 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -18.458 6.645 10.556 1.00 2.66 C ATOM 0 H ILE A 57 -17.826 4.192 6.891 1.00 1.64 H new ATOM 0 HA ILE A 57 -20.020 3.831 8.766 1.00 1.81 H new ATOM 0 HB ILE A 57 -18.485 4.087 10.413 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -16.523 5.791 10.096 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -17.409 6.339 8.687 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -16.173 3.474 9.722 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -17.377 2.491 8.855 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -16.580 3.853 8.031 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -18.059 7.650 10.696 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -19.443 6.707 10.093 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -18.543 6.150 11.523 1.00 2.66 H new ATOM 1033 N GLY A 58 -19.464 6.570 7.169 1.00 1.79 N ATOM 1034 CA GLY A 58 -19.988 7.884 7.153 1.00 1.90 C ATOM 1035 C GLY A 58 -18.997 8.907 6.810 1.00 1.88 C ATOM 1036 O GLY A 58 -19.214 10.085 7.167 1.00 1.99 O ATOM 0 H GLY A 58 -18.916 6.292 6.355 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -20.808 7.930 6.437 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -20.408 8.111 8.133 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.889 8.593 6.120 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.939 9.552 5.681 1.00 1.74 C ATOM 1042 C TRP A 59 -16.073 10.090 6.733 1.00 1.84 C ATOM 1043 O TRP A 59 -15.380 11.099 6.481 1.00 1.91 O ATOM 1044 CB TRP A 59 -17.625 10.712 4.950 1.00 1.80 C ATOM 1045 CG TRP A 59 -16.610 11.628 4.440 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -15.805 11.454 3.318 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -16.280 12.868 4.962 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -15.020 12.537 3.173 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -15.294 13.403 4.160 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -16.774 13.542 6.067 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -14.748 14.649 4.430 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -16.233 14.795 6.347 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -15.232 15.340 5.539 1.00 3.69 C ATOM 0 H TRP A 59 -17.650 7.636 5.861 1.00 1.76 H new ATOM 0 HA TRP A 59 -16.290 8.999 5.002 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -18.233 10.331 4.129 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -18.298 11.237 5.628 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -15.810 10.590 2.669 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -14.330 12.676 2.434 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -17.548 13.113 6.687 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -13.975 15.069 3.803 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -16.592 15.352 7.200 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -14.827 16.312 5.778 1.00 3.69 H new ATOM 1064 N SER A 60 -15.946 9.502 7.931 1.00 1.88 N ATOM 1065 CA SER A 60 -14.999 10.005 8.856 1.00 1.98 C ATOM 1066 C SER A 60 -13.825 9.130 8.819 1.00 1.92 C ATOM 1067 O SER A 60 -12.887 9.294 9.629 1.00 1.98 O ATOM 1068 CB SER A 60 -15.588 10.080 10.265 1.00 2.09 C ATOM 1069 OG SER A 60 -15.921 8.777 10.712 1.00 2.15 O ATOM 0 H SER A 60 -16.487 8.698 8.250 1.00 1.88 H new ATOM 0 HA SER A 60 -14.715 11.021 8.583 1.00 1.98 H new ATOM 0 HB2 SER A 60 -14.870 10.536 10.946 1.00 2.09 H new ATOM 0 HB3 SER A 60 -16.475 10.713 10.266 1.00 2.09 H new ATOM 0 HG SER A 60 -16.297 8.827 11.616 1.00 2.15 H new ATOM 1075 N HIS A 61 -13.795 8.170 7.879 1.00 1.87 N ATOM 1076 CA HIS A 61 -12.732 7.268 7.630 1.00 1.91 C ATOM 1077 C HIS A 61 -11.994 6.721 8.771 1.00 1.97 C ATOM 1078 O HIS A 61 -10.746 6.779 8.757 1.00 2.60 O ATOM 1079 CB HIS A 61 -11.735 7.902 6.653 1.00 2.74 C ATOM 1080 CG HIS A 61 -11.071 9.062 7.244 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -10.047 9.042 8.182 1.00 4.13 N flip ATOM 1082 CD2 HIS A 61 -11.357 10.348 6.998 1.00 3.11 C flip ATOM 1083 CE1 HIS A 61 -9.742 10.315 8.466 1.00 4.69 C flip ATOM 1084 NE2 HIS A 61 -10.542 11.111 7.742 1.00 4.06 N flip ATOM 0 H HIS A 61 -14.581 8.020 7.247 1.00 1.87 H new ATOM 0 HA HIS A 61 -13.250 6.399 7.223 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -10.988 7.163 6.362 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -12.256 8.203 5.744 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -9.608 8.212 8.581 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -12.114 10.708 6.317 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -8.982 10.644 9.159 1.00 4.69 H new ATOM 1093 N PRO A 62 -12.582 6.093 9.803 1.00 1.93 N ATOM 1094 CA PRO A 62 -11.822 5.389 10.762 1.00 2.45 C ATOM 1095 C PRO A 62 -11.578 4.098 10.187 1.00 2.07 C ATOM 1096 O PRO A 62 -12.123 3.120 10.670 1.00 2.31 O ATOM 1097 CB PRO A 62 -12.784 5.244 11.938 1.00 3.15 C ATOM 1098 CG PRO A 62 -14.127 5.104 11.224 1.00 2.98 C ATOM 1099 CD PRO A 62 -13.993 6.006 9.990 1.00 2.10 C ATOM 0 HA PRO A 62 -10.882 5.857 11.054 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -12.553 4.372 12.551 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -12.759 6.112 12.597 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -14.322 4.069 10.942 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -14.952 5.421 11.862 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -14.489 5.575 9.120 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -14.438 6.987 10.157 1.00 2.10 H new ATOM 1107 N GLN A 63 -10.844 3.981 9.107 1.00 1.69 N ATOM 1108 CA GLN A 63 -10.738 2.755 8.415 1.00 1.52 C ATOM 1109 C GLN A 63 -9.950 1.740 9.117 1.00 1.57 C ATOM 1110 O GLN A 63 -10.477 0.644 9.408 1.00 1.92 O ATOM 1111 CB GLN A 63 -10.096 3.044 7.055 1.00 1.70 C ATOM 1112 CG GLN A 63 -11.019 3.941 6.228 1.00 2.04 C ATOM 1113 CD GLN A 63 -10.401 4.230 4.937 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -9.175 3.766 4.653 1.00 3.20 O flip ATOM 1115 NE2 GLN A 63 -11.016 4.918 4.094 1.00 2.72 N flip ATOM 0 H GLN A 63 -10.308 4.746 8.696 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.742 2.341 8.322 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -9.130 3.530 7.194 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -9.910 2.110 6.524 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -11.981 3.450 6.079 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -11.215 4.870 6.764 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -11.948 5.272 4.307 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -10.585 5.125 3.193 1.00 2.72 H new ATOM 1124 N PHE A 64 -8.657 1.946 9.409 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.906 0.934 10.050 1.00 1.64 C ATOM 1126 C PHE A 64 -7.506 1.328 11.397 1.00 1.92 C ATOM 1127 O PHE A 64 -7.743 2.478 11.826 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.667 0.565 9.229 1.00 1.89 C ATOM 1129 CG PHE A 64 -7.052 -0.138 8.007 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -7.718 0.526 6.986 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -6.726 -1.480 7.856 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -8.092 -0.157 5.835 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -7.086 -2.162 6.698 1.00 4.84 C ATOM 1134 CZ PHE A 64 -7.773 -1.501 5.688 1.00 5.47 C ATOM 0 H PHE A 64 -8.143 2.803 9.202 1.00 1.51 H new ATOM 0 HA PHE A 64 -8.553 0.061 10.128 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -6.109 1.467 8.976 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -6.004 -0.064 9.823 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -7.946 1.577 7.086 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -6.191 -1.996 8.640 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -8.631 0.358 5.054 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -6.831 -3.205 6.584 1.00 4.84 H new ATOM 0 HZ PHE A 64 -8.058 -2.030 4.791 1.00 5.47 H new ATOM 1144 N GLU A 65 -6.902 0.411 12.167 1.00 2.15 N ATOM 1145 CA GLU A 65 -6.496 0.674 13.494 1.00 3.00 C ATOM 1146 C GLU A 65 -5.308 1.524 13.544 1.00 3.61 C ATOM 1147 O GLU A 65 -4.239 1.064 14.001 1.00 4.51 O ATOM 1148 CB GLU A 65 -6.169 -0.664 14.159 1.00 3.51 C ATOM 1149 CG GLU A 65 -5.019 -1.347 13.414 1.00 3.70 C ATOM 1150 CD GLU A 65 -4.722 -2.624 14.057 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -5.618 -3.489 14.165 1.00 5.30 O ATOM 1152 OE2 GLU A 65 -3.577 -2.850 14.505 1.00 5.13 O ATOM 0 H GLU A 65 -6.694 -0.536 11.852 1.00 2.15 H new ATOM 0 HA GLU A 65 -7.303 1.197 14.007 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -5.895 -0.505 15.202 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -7.049 -1.307 14.155 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -5.290 -1.506 12.370 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -4.136 -0.709 13.421 1.00 3.70 H new ATOM 1159 N LYS A 66 -5.363 2.796 13.126 1.00 3.38 N ATOM 1160 CA LYS A 66 -4.218 3.617 13.188 1.00 4.28 C ATOM 1161 C LYS A 66 -3.833 3.800 14.585 1.00 5.06 C ATOM 1162 O LYS A 66 -4.645 4.294 15.397 1.00 5.16 O ATOM 1163 CB LYS A 66 -4.546 4.990 12.598 1.00 4.09 C ATOM 1164 CG LYS A 66 -4.870 4.869 11.108 1.00 3.93 C ATOM 1165 CD LYS A 66 -3.619 4.409 10.360 1.00 4.32 C ATOM 1166 CE LYS A 66 -3.840 4.563 8.854 1.00 4.83 C ATOM 1167 NZ LYS A 66 -4.927 3.686 8.427 1.00 5.28 N ATOM 1168 OXT LYS A 66 -2.692 3.463 14.969 1.00 5.89 O ATOM 0 H LYS A 66 -6.197 3.246 12.749 1.00 3.38 H new ATOM 0 HA LYS A 66 -3.408 3.149 12.628 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -5.394 5.426 13.126 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -3.701 5.664 12.739 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -5.682 4.158 10.956 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -5.210 5.828 10.718 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -2.757 4.998 10.674 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -3.399 3.369 10.602 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -4.080 5.599 8.615 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -2.926 4.315 8.315 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -4.604 3.093 7.636 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -5.215 3.079 9.220 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -5.737 4.261 8.120 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 5.229 -19.440 -1.880 1.00 4.10 N ATOM 1184 CA MET B 1 5.315 -18.343 -0.918 1.00 3.64 C ATOM 1185 C MET B 1 5.003 -17.077 -1.577 1.00 3.21 C ATOM 1186 O MET B 1 5.568 -16.770 -2.649 1.00 3.62 O ATOM 1187 CB MET B 1 6.737 -18.283 -0.357 1.00 4.45 C ATOM 1188 CG MET B 1 7.041 -19.577 0.402 1.00 5.33 C ATOM 1189 SD MET B 1 5.937 -19.712 1.818 1.00 5.99 S ATOM 1190 CE MET B 1 6.616 -21.312 2.288 1.00 6.70 C ATOM 0 H1 MET B 1 5.096 -20.338 -1.372 1.00 4.10 H new ATOM 0 H2 MET B 1 4.423 -19.280 -2.517 1.00 4.10 H new ATOM 0 H3 MET B 1 6.107 -19.484 -2.436 1.00 4.10 H new ATOM 0 HA MET B 1 4.601 -18.512 -0.112 1.00 3.64 H new ATOM 0 HB2 MET B 1 7.454 -18.147 -1.167 1.00 4.45 H new ATOM 0 HB3 MET B 1 6.841 -17.426 0.308 1.00 4.45 H new ATOM 0 HG2 MET B 1 6.913 -20.436 -0.256 1.00 5.33 H new ATOM 0 HG3 MET B 1 8.079 -19.582 0.734 1.00 5.33 H new ATOM 0 HE1 MET B 1 6.107 -21.675 3.181 1.00 6.70 H new ATOM 0 HE2 MET B 1 6.471 -22.022 1.474 1.00 6.70 H new ATOM 0 HE3 MET B 1 7.681 -21.209 2.495 1.00 6.70 H new ATOM 1202 N GLU B 2 4.127 -16.237 -1.006 1.00 2.53 N ATOM 1203 CA GLU B 2 3.806 -15.001 -1.607 1.00 2.22 C ATOM 1204 C GLU B 2 3.977 -13.949 -0.609 1.00 1.85 C ATOM 1205 O GLU B 2 4.674 -12.942 -0.868 1.00 1.99 O ATOM 1206 CB GLU B 2 2.341 -15.038 -2.051 1.00 2.48 C ATOM 1207 CG GLU B 2 1.984 -13.741 -2.780 1.00 2.85 C ATOM 1208 CD GLU B 2 2.750 -13.654 -4.019 1.00 3.41 C ATOM 1209 OE1 GLU B 2 4.000 -13.637 -3.982 1.00 3.75 O ATOM 1210 OE2 GLU B 2 2.159 -13.607 -5.120 1.00 3.99 O ATOM 0 H GLU B 2 3.644 -16.421 -0.127 1.00 2.53 H new ATOM 0 HA GLU B 2 4.449 -14.813 -2.467 1.00 2.22 H new ATOM 0 HB2 GLU B 2 2.172 -15.892 -2.707 1.00 2.48 H new ATOM 0 HB3 GLU B 2 1.693 -15.169 -1.185 1.00 2.48 H new ATOM 0 HG2 GLU B 2 0.916 -13.715 -2.997 1.00 2.85 H new ATOM 0 HG3 GLU B 2 2.201 -12.882 -2.145 1.00 2.85 H new ATOM 1217 N LYS B 3 3.354 -14.096 0.571 1.00 1.85 N ATOM 1218 CA LYS B 3 3.478 -13.156 1.617 1.00 1.95 C ATOM 1219 C LYS B 3 4.821 -13.181 2.194 1.00 1.67 C ATOM 1220 O LYS B 3 5.661 -14.024 1.811 1.00 1.92 O ATOM 1221 CB LYS B 3 2.434 -13.444 2.696 1.00 2.60 C ATOM 1222 CG LYS B 3 2.705 -14.805 3.340 1.00 3.26 C ATOM 1223 CD LYS B 3 1.555 -15.131 4.294 1.00 3.92 C ATOM 1224 CE LYS B 3 1.500 -14.075 5.400 1.00 4.14 C ATOM 1225 NZ LYS B 3 0.374 -14.355 6.288 1.00 4.84 N ATOM 0 H LYS B 3 2.752 -14.889 0.795 1.00 1.85 H new ATOM 0 HA LYS B 3 3.309 -12.161 1.206 1.00 1.95 H new ATOM 0 HB2 LYS B 3 2.459 -12.662 3.455 1.00 2.60 H new ATOM 0 HB3 LYS B 3 1.435 -13.432 2.259 1.00 2.60 H new ATOM 0 HG2 LYS B 3 2.791 -15.576 2.574 1.00 3.26 H new ATOM 0 HG3 LYS B 3 3.651 -14.786 3.881 1.00 3.26 H new ATOM 0 HD2 LYS B 3 0.611 -15.153 3.750 1.00 3.92 H new ATOM 0 HD3 LYS B 3 1.696 -16.121 4.727 1.00 3.92 H new ATOM 0 HE2 LYS B 3 2.432 -14.077 5.966 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.394 -13.082 4.964 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 0.462 -13.782 7.152 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 -0.516 -14.119 5.805 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 0.373 -15.364 6.540 1.00 4.84 H new ATOM 1239 N ARG B 4 5.156 -12.275 3.124 1.00 1.50 N ATOM 1240 CA ARG B 4 6.469 -12.232 3.639 1.00 1.29 C ATOM 1241 C ARG B 4 6.584 -12.686 5.024 1.00 1.50 C ATOM 1242 O ARG B 4 6.395 -11.865 5.947 1.00 1.81 O ATOM 1243 CB ARG B 4 6.924 -10.775 3.645 1.00 1.45 C ATOM 1244 CG ARG B 4 8.278 -10.711 4.348 1.00 1.70 C ATOM 1245 CD ARG B 4 9.383 -11.101 3.370 1.00 2.72 C ATOM 1246 NE ARG B 4 9.243 -12.417 2.901 1.00 3.33 N ATOM 1247 CZ ARG B 4 9.972 -12.786 1.841 1.00 4.45 C ATOM 1248 NH1 ARG B 4 10.794 -11.895 1.263 1.00 5.09 N ATOM 1249 NH2 ARG B 4 9.878 -14.031 1.355 1.00 5.20 N ATOM 0 H ARG B 4 4.518 -11.580 3.512 1.00 1.50 H new ATOM 0 HA ARG B 4 7.065 -12.892 3.008 1.00 1.29 H new ATOM 0 HB2 ARG B 4 7.004 -10.396 2.626 1.00 1.45 H new ATOM 0 HB3 ARG B 4 6.196 -10.150 4.161 1.00 1.45 H new ATOM 0 HG2 ARG B 4 8.454 -9.705 4.729 1.00 1.70 H new ATOM 0 HG3 ARG B 4 8.285 -11.382 5.207 1.00 1.70 H new ATOM 0 HD2 ARG B 4 9.375 -10.414 2.524 1.00 2.72 H new ATOM 0 HD3 ARG B 4 10.351 -10.993 3.859 1.00 2.72 H new ATOM 0 HE ARG B 4 8.605 -13.072 3.354 1.00 3.33 H new ATOM 0 HH11 ARG B 4 10.859 -10.946 1.632 1.00 5.09 H new ATOM 0 HH12 ARG B 4 11.354 -12.167 0.455 1.00 5.09 H new ATOM 0 HH21 ARG B 4 9.248 -14.703 1.793 1.00 5.20 H new ATOM 0 HH22 ARG B 4 10.436 -14.306 0.547 1.00 5.20 H new ATOM 1263 N PRO B 5 6.948 -13.940 5.333 1.00 1.56 N ATOM 1264 CA PRO B 5 7.168 -14.342 6.667 1.00 1.84 C ATOM 1265 C PRO B 5 8.539 -14.142 7.049 1.00 1.57 C ATOM 1266 O PRO B 5 8.927 -14.576 8.121 1.00 1.86 O ATOM 1267 CB PRO B 5 6.901 -15.843 6.599 1.00 2.15 C ATOM 1268 CG PRO B 5 7.439 -16.204 5.215 1.00 2.06 C ATOM 1269 CD PRO B 5 7.109 -14.975 4.362 1.00 1.65 C ATOM 0 HA PRO B 5 6.555 -13.791 7.380 1.00 1.84 H new ATOM 0 HB2 PRO B 5 7.418 -16.385 7.391 1.00 2.15 H new ATOM 0 HB3 PRO B 5 5.840 -16.073 6.696 1.00 2.15 H new ATOM 0 HG2 PRO B 5 8.512 -16.397 5.241 1.00 2.06 H new ATOM 0 HG3 PRO B 5 6.963 -17.103 4.823 1.00 2.06 H new ATOM 0 HD2 PRO B 5 7.909 -14.746 3.658 1.00 1.65 H new ATOM 0 HD3 PRO B 5 6.202 -15.123 3.776 1.00 1.65 H new ATOM 1277 N ARG B 6 9.385 -13.527 6.256 1.00 1.20 N ATOM 1278 CA ARG B 6 10.753 -13.429 6.594 1.00 1.13 C ATOM 1279 C ARG B 6 11.165 -12.090 7.021 1.00 1.07 C ATOM 1280 O ARG B 6 12.385 -11.895 7.204 1.00 1.45 O ATOM 1281 CB ARG B 6 11.581 -13.801 5.363 1.00 1.21 C ATOM 1282 CG ARG B 6 11.299 -15.244 4.943 1.00 1.55 C ATOM 1283 CD ARG B 6 12.171 -15.586 3.733 1.00 1.87 C ATOM 1284 NE ARG B 6 13.530 -15.564 4.110 1.00 2.69 N ATOM 1285 CZ ARG B 6 14.488 -15.658 3.177 1.00 3.24 C ATOM 1286 NH1 ARG B 6 14.158 -15.745 1.881 1.00 3.20 N ATOM 1287 NH2 ARG B 6 15.778 -15.663 3.540 1.00 4.21 N ATOM 0 H ARG B 6 9.131 -13.090 5.370 1.00 1.20 H new ATOM 0 HA ARG B 6 10.916 -14.102 7.436 1.00 1.13 H new ATOM 0 HB2 ARG B 6 11.346 -13.124 4.541 1.00 1.21 H new ATOM 0 HB3 ARG B 6 12.642 -13.680 5.581 1.00 1.21 H new ATOM 0 HG2 ARG B 6 11.513 -15.925 5.767 1.00 1.55 H new ATOM 0 HG3 ARG B 6 10.245 -15.365 4.695 1.00 1.55 H new ATOM 0 HD2 ARG B 6 11.906 -16.570 3.347 1.00 1.87 H new ATOM 0 HD3 ARG B 6 11.994 -14.870 2.930 1.00 1.87 H new ATOM 0 HE ARG B 6 13.784 -15.476 5.094 1.00 2.69 H new ATOM 0 HH11 ARG B 6 13.177 -15.740 1.603 1.00 3.20 H new ATOM 0 HH12 ARG B 6 14.888 -15.816 1.172 1.00 3.20 H new ATOM 0 HH21 ARG B 6 16.031 -15.595 4.526 1.00 4.21 H new ATOM 0 HH22 ARG B 6 16.507 -15.735 2.830 1.00 4.21 H new ATOM 1301 N THR B 7 10.281 -11.101 7.237 1.00 0.98 N ATOM 1302 CA THR B 7 10.656 -9.788 7.639 1.00 0.87 C ATOM 1303 C THR B 7 11.606 -9.184 6.701 1.00 0.88 C ATOM 1304 O THR B 7 12.713 -8.753 7.092 1.00 0.89 O ATOM 1305 CB THR B 7 11.218 -9.719 9.066 1.00 0.86 C ATOM 1306 OG1 THR B 7 12.443 -10.426 9.207 1.00 0.94 O ATOM 1307 CG2 THR B 7 10.185 -10.301 10.033 1.00 0.90 C ATOM 0 H THR B 7 9.274 -11.222 7.128 1.00 0.98 H new ATOM 0 HA THR B 7 9.729 -9.214 7.630 1.00 0.87 H new ATOM 0 HB THR B 7 11.422 -8.672 9.291 1.00 0.86 H new ATOM 0 HG1 THR B 7 12.745 -10.736 8.328 1.00 0.94 H new ATOM 0 HG21 THR B 7 10.574 -10.257 11.050 1.00 0.90 H new ATOM 0 HG22 THR B 7 9.263 -9.723 9.972 1.00 0.90 H new ATOM 0 HG23 THR B 7 9.981 -11.338 9.767 1.00 0.90 H new ATOM 1315 N GLU B 8 11.242 -9.082 5.416 1.00 0.91 N ATOM 1316 CA GLU B 8 12.081 -8.564 4.404 1.00 0.98 C ATOM 1317 C GLU B 8 11.252 -8.461 3.204 1.00 0.96 C ATOM 1318 O GLU B 8 11.545 -9.124 2.184 1.00 1.30 O ATOM 1319 CB GLU B 8 13.346 -9.398 4.181 1.00 1.20 C ATOM 1320 CG GLU B 8 13.009 -10.825 3.756 1.00 1.29 C ATOM 1321 CD GLU B 8 14.252 -11.569 3.578 1.00 1.75 C ATOM 1322 OE1 GLU B 8 15.088 -11.192 2.728 1.00 2.26 O ATOM 1323 OE2 GLU B 8 14.490 -12.572 4.285 1.00 2.23 O ATOM 0 H GLU B 8 10.326 -9.373 5.074 1.00 0.91 H new ATOM 0 HA GLU B 8 12.470 -7.588 4.694 1.00 0.98 H new ATOM 0 HB2 GLU B 8 13.964 -8.926 3.417 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.935 -9.420 5.098 1.00 1.20 H new ATOM 0 HG2 GLU B 8 12.386 -11.306 4.510 1.00 1.29 H new ATOM 0 HG3 GLU B 8 12.438 -10.817 2.828 1.00 1.29 H new ATOM 1330 N PHE B 9 10.134 -7.720 3.313 1.00 0.75 N ATOM 1331 CA PHE B 9 9.108 -7.567 2.344 1.00 0.68 C ATOM 1332 C PHE B 9 9.284 -8.245 1.061 1.00 0.81 C ATOM 1333 O PHE B 9 10.275 -8.056 0.323 1.00 0.93 O ATOM 1334 CB PHE B 9 8.993 -6.069 2.056 1.00 0.55 C ATOM 1335 CG PHE B 9 10.313 -5.576 1.672 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.833 -5.860 0.415 1.00 0.87 C ATOM 1337 CD2 PHE B 9 11.082 -4.883 2.599 1.00 0.82 C ATOM 1338 CE1 PHE B 9 12.121 -5.453 0.087 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.368 -4.470 2.269 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.889 -4.758 1.014 1.00 0.72 C ATOM 0 H PHE B 9 9.939 -7.183 4.158 1.00 0.75 H new ATOM 0 HA PHE B 9 8.227 -8.035 2.784 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.273 -5.890 1.258 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.631 -5.539 2.937 1.00 0.55 H new ATOM 0 HD1 PHE B 9 10.236 -6.397 -0.307 1.00 0.87 H new ATOM 0 HD2 PHE B 9 10.680 -4.665 3.577 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.525 -5.677 -0.889 1.00 0.92 H new ATOM 0 HE2 PHE B 9 12.962 -3.925 2.988 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.890 -4.442 0.759 1.00 0.72 H new ATOM 1350 N SER B 10 8.277 -9.052 0.690 1.00 0.92 N ATOM 1351 CA SER B 10 8.283 -9.785 -0.512 1.00 1.07 C ATOM 1352 C SER B 10 7.825 -8.947 -1.613 1.00 0.95 C ATOM 1353 O SER B 10 7.420 -7.787 -1.386 1.00 0.79 O ATOM 1354 CB SER B 10 7.304 -10.952 -0.353 1.00 1.27 C ATOM 1355 OG SER B 10 7.282 -11.753 -1.525 1.00 1.65 O ATOM 0 H SER B 10 7.437 -9.191 1.252 1.00 0.92 H new ATOM 0 HA SER B 10 9.292 -10.137 -0.725 1.00 1.07 H new ATOM 0 HB2 SER B 10 7.592 -11.561 0.504 1.00 1.27 H new ATOM 0 HB3 SER B 10 6.304 -10.569 -0.150 1.00 1.27 H new ATOM 0 HG SER B 10 6.450 -12.271 -1.552 1.00 1.65 H new ATOM 1361 N GLU B 11 7.816 -9.445 -2.858 1.00 1.08 N ATOM 1362 CA GLU B 11 7.395 -8.661 -3.954 1.00 1.08 C ATOM 1363 C GLU B 11 6.002 -8.261 -3.765 1.00 0.97 C ATOM 1364 O GLU B 11 5.622 -7.120 -4.106 1.00 0.94 O ATOM 1365 CB GLU B 11 7.514 -9.488 -5.236 1.00 1.26 C ATOM 1366 CG GLU B 11 7.459 -8.555 -6.448 1.00 1.21 C ATOM 1367 CD GLU B 11 8.681 -7.753 -6.484 1.00 1.81 C ATOM 1368 OE1 GLU B 11 9.793 -8.323 -6.484 1.00 2.60 O ATOM 1369 OE2 GLU B 11 8.628 -6.505 -6.538 1.00 2.29 O ATOM 0 H GLU B 11 8.102 -10.394 -3.098 1.00 1.08 H new ATOM 0 HA GLU B 11 8.020 -7.771 -4.027 1.00 1.08 H new ATOM 0 HB2 GLU B 11 8.449 -10.048 -5.236 1.00 1.26 H new ATOM 0 HB3 GLU B 11 6.706 -10.218 -5.288 1.00 1.26 H new ATOM 0 HG2 GLU B 11 7.361 -9.135 -7.366 1.00 1.21 H new ATOM 0 HG3 GLU B 11 6.585 -7.907 -6.386 1.00 1.21 H new ATOM 1376 N GLU B 12 5.140 -9.126 -3.211 1.00 0.93 N ATOM 1377 CA GLU B 12 3.786 -8.792 -3.001 1.00 0.82 C ATOM 1378 C GLU B 12 3.625 -7.731 -2.008 1.00 0.71 C ATOM 1379 O GLU B 12 2.563 -7.072 -1.997 1.00 0.70 O ATOM 1380 CB GLU B 12 3.038 -10.037 -2.519 1.00 0.86 C ATOM 1381 CG GLU B 12 1.540 -9.746 -2.379 1.00 1.17 C ATOM 1382 CD GLU B 12 0.978 -9.354 -3.669 1.00 2.12 C ATOM 1383 OE1 GLU B 12 1.138 -10.090 -4.667 1.00 2.45 O ATOM 1384 OE2 GLU B 12 0.342 -8.282 -3.780 1.00 2.73 O ATOM 0 H GLU B 12 5.393 -10.066 -2.908 1.00 0.93 H new ATOM 0 HA GLU B 12 3.382 -8.429 -3.946 1.00 0.82 H new ATOM 0 HB2 GLU B 12 3.191 -10.855 -3.223 1.00 0.86 H new ATOM 0 HB3 GLU B 12 3.442 -10.362 -1.560 1.00 0.86 H new ATOM 0 HG2 GLU B 12 1.024 -10.630 -2.003 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.383 -8.951 -1.650 1.00 1.17 H new ATOM 1391 N GLN B 13 4.569 -7.459 -1.096 1.00 0.67 N ATOM 1392 CA GLN B 13 4.325 -6.462 -0.128 1.00 0.57 C ATOM 1393 C GLN B 13 4.897 -5.198 -0.588 1.00 0.52 C ATOM 1394 O GLN B 13 4.399 -4.118 -0.205 1.00 0.47 O ATOM 1395 CB GLN B 13 4.962 -6.881 1.202 1.00 0.62 C ATOM 1396 CG GLN B 13 4.474 -8.280 1.593 1.00 0.82 C ATOM 1397 CD GLN B 13 3.027 -8.309 1.803 1.00 1.47 C ATOM 1398 OE1 GLN B 13 2.295 -8.863 0.955 1.00 2.34 O ATOM 1399 NE2 GLN B 13 2.473 -7.803 2.916 1.00 2.04 N ATOM 0 H GLN B 13 5.477 -7.920 -1.034 1.00 0.67 H new ATOM 0 HA GLN B 13 3.252 -6.336 0.018 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.048 -6.876 1.113 1.00 0.62 H new ATOM 0 HB3 GLN B 13 4.703 -6.164 1.982 1.00 0.62 H new ATOM 0 HG2 GLN B 13 4.743 -8.991 0.811 1.00 0.82 H new ATOM 0 HG3 GLN B 13 4.980 -8.601 2.503 1.00 0.82 H new ATOM 0 HE21 GLN B 13 3.059 -7.348 3.616 1.00 2.04 H new ATOM 0 HE22 GLN B 13 1.466 -7.873 3.062 1.00 2.04 H new ATOM 1408 N LYS B 14 5.926 -5.196 -1.449 1.00 0.57 N ATOM 1409 CA LYS B 14 6.524 -3.988 -1.884 1.00 0.57 C ATOM 1410 C LYS B 14 5.586 -3.071 -2.533 1.00 0.60 C ATOM 1411 O LYS B 14 5.871 -1.855 -2.588 1.00 0.60 O ATOM 1412 CB LYS B 14 7.610 -4.306 -2.913 1.00 0.65 C ATOM 1413 CG LYS B 14 8.834 -4.938 -2.252 1.00 0.67 C ATOM 1414 CD LYS B 14 9.722 -5.505 -3.360 1.00 1.04 C ATOM 1415 CE LYS B 14 10.172 -4.379 -4.292 1.00 1.36 C ATOM 1416 NZ LYS B 14 10.931 -4.960 -5.398 1.00 1.71 N ATOM 0 H LYS B 14 6.342 -6.040 -1.843 1.00 0.57 H new ATOM 0 HA LYS B 14 6.915 -3.507 -0.988 1.00 0.57 H new ATOM 0 HB2 LYS B 14 7.211 -4.984 -3.668 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.904 -3.392 -3.429 1.00 0.65 H new ATOM 0 HG2 LYS B 14 9.379 -4.196 -1.668 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.532 -5.727 -1.563 1.00 0.67 H new ATOM 0 HD2 LYS B 14 10.591 -5.998 -2.925 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.176 -6.261 -3.925 1.00 1.04 H new ATOM 0 HE2 LYS B 14 9.307 -3.835 -4.672 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.786 -3.661 -3.748 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 11.301 -4.199 -6.003 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 11.723 -5.518 -5.020 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 10.310 -5.577 -5.959 1.00 1.71 H new ATOM 1430 N LYS B 15 4.442 -3.483 -3.098 1.00 0.68 N ATOM 1431 CA LYS B 15 3.628 -2.521 -3.731 1.00 0.73 C ATOM 1432 C LYS B 15 2.912 -1.754 -2.718 1.00 0.66 C ATOM 1433 O LYS B 15 2.559 -0.585 -2.971 1.00 0.70 O ATOM 1434 CB LYS B 15 2.604 -3.201 -4.641 1.00 0.82 C ATOM 1435 CG LYS B 15 3.299 -3.704 -5.908 1.00 0.97 C ATOM 1436 CD LYS B 15 3.942 -5.060 -5.615 1.00 1.51 C ATOM 1437 CE LYS B 15 2.874 -6.155 -5.682 1.00 1.07 C ATOM 1438 NZ LYS B 15 1.952 -6.036 -4.554 1.00 1.94 N ATOM 0 H LYS B 15 4.097 -4.443 -3.114 1.00 0.68 H new ATOM 0 HA LYS B 15 4.263 -1.867 -4.328 1.00 0.73 H new ATOM 0 HB2 LYS B 15 2.133 -4.033 -4.118 1.00 0.82 H new ATOM 0 HB3 LYS B 15 1.812 -2.499 -4.902 1.00 0.82 H new ATOM 0 HG2 LYS B 15 2.579 -3.796 -6.721 1.00 0.97 H new ATOM 0 HG3 LYS B 15 4.056 -2.990 -6.231 1.00 0.97 H new ATOM 0 HD2 LYS B 15 4.733 -5.263 -6.337 1.00 1.51 H new ATOM 0 HD3 LYS B 15 4.406 -5.049 -4.629 1.00 1.51 H new ATOM 0 HE2 LYS B 15 2.324 -6.078 -6.620 1.00 1.07 H new ATOM 0 HE3 LYS B 15 3.349 -7.136 -5.670 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 1.411 -6.918 -4.454 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 2.491 -5.859 -3.682 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 1.298 -5.246 -4.723 1.00 1.94 H new ATOM 1452 N ALA B 16 2.654 -2.280 -1.514 1.00 0.58 N ATOM 1453 CA ALA B 16 1.997 -1.510 -0.533 1.00 0.53 C ATOM 1454 C ALA B 16 2.887 -0.435 -0.104 1.00 0.50 C ATOM 1455 O ALA B 16 2.443 0.712 0.128 1.00 0.60 O ATOM 1456 CB ALA B 16 1.673 -2.408 0.664 1.00 0.46 C ATOM 0 H ALA B 16 2.900 -3.228 -1.229 1.00 0.58 H new ATOM 0 HA ALA B 16 1.077 -1.088 -0.937 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.164 -1.823 1.430 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.027 -3.225 0.342 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.597 -2.816 1.073 1.00 0.46 H new ATOM 1462 N LEU B 17 4.198 -0.693 0.019 1.00 0.44 N ATOM 1463 CA LEU B 17 5.087 0.307 0.462 1.00 0.46 C ATOM 1464 C LEU B 17 5.234 1.328 -0.574 1.00 0.57 C ATOM 1465 O LEU B 17 5.427 2.521 -0.248 1.00 0.71 O ATOM 1466 CB LEU B 17 6.451 -0.345 0.703 1.00 0.42 C ATOM 1467 CG LEU B 17 6.422 -1.094 2.035 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.498 -2.298 1.871 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.823 -1.578 2.407 1.00 0.38 C ATOM 0 H LEU B 17 4.632 -1.592 -0.189 1.00 0.44 H new ATOM 0 HA LEU B 17 4.707 0.767 1.374 1.00 0.46 H new ATOM 0 HB2 LEU B 17 6.687 -1.032 -0.109 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.233 0.414 0.716 1.00 0.42 H new ATOM 0 HG LEU B 17 6.067 -0.433 2.825 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.456 -2.855 2.807 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.497 -1.955 1.607 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.880 -2.945 1.081 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.784 -2.109 3.358 1.00 0.38 H new ATOM 0 HD22 LEU B 17 8.194 -2.249 1.632 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.492 -0.722 2.497 1.00 0.38 H new ATOM 1481 N ASP B 18 5.133 0.978 -1.865 1.00 0.59 N ATOM 1482 CA ASP B 18 5.213 1.935 -2.899 1.00 0.70 C ATOM 1483 C ASP B 18 4.063 2.831 -2.863 1.00 0.73 C ATOM 1484 O ASP B 18 4.227 4.059 -3.019 1.00 0.82 O ATOM 1485 CB ASP B 18 5.197 1.215 -4.247 1.00 0.76 C ATOM 1486 CG ASP B 18 5.292 2.208 -5.314 1.00 0.97 C ATOM 1487 OD1 ASP B 18 6.289 2.960 -5.379 1.00 1.74 O ATOM 1488 OD2 ASP B 18 4.377 2.311 -6.160 1.00 1.25 O ATOM 0 H ASP B 18 4.995 0.020 -2.187 1.00 0.59 H new ATOM 0 HA ASP B 18 6.130 2.508 -2.765 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.029 0.513 -4.310 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.281 0.634 -4.353 1.00 0.76 H new ATOM 1493 N LEU B 19 2.838 2.322 -2.669 1.00 0.67 N ATOM 1494 CA LEU B 19 1.688 3.140 -2.675 1.00 0.70 C ATOM 1495 C LEU B 19 1.790 4.244 -1.726 1.00 0.70 C ATOM 1496 O LEU B 19 1.442 5.388 -2.098 1.00 0.84 O ATOM 1497 CB LEU B 19 0.493 2.266 -2.295 1.00 0.60 C ATOM 1498 CG LEU B 19 -0.241 1.851 -3.572 1.00 0.68 C ATOM 1499 CD1 LEU B 19 0.766 1.320 -4.593 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -1.278 0.777 -3.237 1.00 0.69 C ATOM 0 H LEU B 19 2.651 1.332 -2.507 1.00 0.67 H new ATOM 0 HA LEU B 19 1.575 3.574 -3.668 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.829 1.384 -1.749 1.00 0.60 H new ATOM 0 HB3 LEU B 19 -0.179 2.813 -1.634 1.00 0.60 H new ATOM 0 HG LEU B 19 -0.752 2.714 -4.000 1.00 0.68 H new ATOM 0 HD11 LEU B 19 0.241 1.025 -5.502 1.00 1.16 H new ATOM 0 HD12 LEU B 19 1.490 2.100 -4.829 1.00 1.16 H new ATOM 0 HD13 LEU B 19 1.285 0.456 -4.177 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.802 0.481 -4.146 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -0.777 -0.091 -2.807 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.995 1.175 -2.519 1.00 0.69 H new ATOM 1512 N ALA B 20 2.234 4.047 -0.475 1.00 0.62 N ATOM 1513 CA ALA B 20 2.329 5.148 0.404 1.00 0.69 C ATOM 1514 C ALA B 20 3.464 5.999 0.054 1.00 0.83 C ATOM 1515 O ALA B 20 3.251 7.185 -0.278 1.00 1.20 O ATOM 1516 CB ALA B 20 2.529 4.643 1.834 1.00 0.72 C ATOM 0 H ALA B 20 2.519 3.148 -0.087 1.00 0.62 H new ATOM 0 HA ALA B 20 1.408 5.726 0.324 1.00 0.69 H new ATOM 0 HB1 ALA B 20 2.602 5.493 2.513 1.00 0.72 H new ATOM 0 HB2 ALA B 20 1.682 4.021 2.122 1.00 0.72 H new ATOM 0 HB3 ALA B 20 3.446 4.056 1.888 1.00 0.72 H new ATOM 1522 N PHE B 21 4.713 5.507 0.121 1.00 0.88 N ATOM 1523 CA PHE B 21 5.866 6.263 -0.212 1.00 1.17 C ATOM 1524 C PHE B 21 5.767 7.668 0.192 1.00 1.60 C ATOM 1525 O PHE B 21 6.014 8.565 -0.646 1.00 2.21 O ATOM 1526 CB PHE B 21 6.129 6.173 -1.715 1.00 1.29 C ATOM 1527 CG PHE B 21 7.414 6.794 -2.019 1.00 1.15 C ATOM 1528 CD1 PHE B 21 8.591 6.200 -1.578 1.00 1.40 C ATOM 1529 CD2 PHE B 21 7.463 7.965 -2.766 1.00 1.63 C ATOM 1530 CE1 PHE B 21 9.817 6.782 -1.876 1.00 1.60 C ATOM 1531 CE2 PHE B 21 8.690 8.547 -3.065 1.00 1.73 C ATOM 1532 CZ PHE B 21 9.866 7.956 -2.620 1.00 1.50 C ATOM 0 H PHE B 21 4.921 4.553 0.417 1.00 0.88 H new ATOM 0 HA PHE B 21 6.699 5.832 0.344 1.00 1.17 H new ATOM 0 HB2 PHE B 21 6.132 5.131 -2.033 1.00 1.29 H new ATOM 0 HB3 PHE B 21 5.332 6.672 -2.266 1.00 1.29 H new ATOM 0 HD1 PHE B 21 8.552 5.286 -1.004 1.00 1.40 H new ATOM 0 HD2 PHE B 21 6.549 8.423 -3.114 1.00 1.63 H new ATOM 0 HE1 PHE B 21 10.731 6.323 -1.530 1.00 1.60 H new ATOM 0 HE2 PHE B 21 8.729 9.458 -3.643 1.00 1.73 H new ATOM 0 HZ PHE B 21 10.819 8.409 -2.852 1.00 1.50 H new ATOM 1542 N TYR B 22 5.437 8.014 1.444 1.00 1.98 N ATOM 1543 CA TYR B 22 5.296 9.378 1.775 1.00 2.49 C ATOM 1544 C TYR B 22 5.312 9.542 3.226 1.00 2.37 C ATOM 1545 O TYR B 22 4.623 8.777 3.936 1.00 2.86 O ATOM 1546 CB TYR B 22 3.971 9.889 1.206 1.00 3.05 C ATOM 1547 CG TYR B 22 3.866 11.327 1.432 1.00 4.38 C ATOM 1548 CD1 TYR B 22 4.789 12.188 0.852 1.00 4.86 C ATOM 1549 CD2 TYR B 22 2.853 11.832 2.237 1.00 4.57 C ATOM 1550 CE1 TYR B 22 4.697 13.557 1.073 1.00 5.32 C ATOM 1551 CE2 TYR B 22 2.761 13.202 2.460 1.00 5.05 C ATOM 1552 CZ TYR B 22 3.682 14.064 1.876 1.00 5.69 C ATOM 1553 OH TYR B 22 3.591 15.394 2.088 1.00 5.95 O ATOM 0 H TYR B 22 5.272 7.359 2.208 1.00 1.98 H new ATOM 0 HA TYR B 22 6.123 9.948 1.351 1.00 2.49 H new ATOM 0 HB2 TYR B 22 3.914 9.673 0.139 1.00 3.05 H new ATOM 0 HB3 TYR B 22 3.136 9.374 1.681 1.00 3.05 H new ATOM 0 HD1 TYR B 22 5.578 11.793 0.229 1.00 4.86 H new ATOM 0 HD2 TYR B 22 2.137 11.162 2.689 1.00 4.57 H new ATOM 0 HE1 TYR B 22 5.414 14.227 0.621 1.00 5.32 H new ATOM 0 HE2 TYR B 22 1.974 13.596 3.087 1.00 5.05 H new ATOM 0 HH TYR B 22 2.826 15.581 2.671 1.00 5.95 H new ATOM 1563 N PHE B 23 6.041 10.523 3.781 1.00 2.53 N ATOM 1564 CA PHE B 23 6.124 10.690 5.184 1.00 3.15 C ATOM 1565 C PHE B 23 4.884 11.210 5.764 1.00 3.06 C ATOM 1566 O PHE B 23 4.845 12.363 6.246 1.00 3.59 O ATOM 1567 CB PHE B 23 7.248 11.684 5.481 1.00 3.86 C ATOM 1568 CG PHE B 23 7.529 11.695 6.915 1.00 4.36 C ATOM 1569 CD1 PHE B 23 8.127 10.593 7.513 1.00 4.54 C ATOM 1570 CD2 PHE B 23 7.188 12.802 7.683 1.00 5.13 C ATOM 1571 CE1 PHE B 23 8.403 10.606 8.876 1.00 5.32 C ATOM 1572 CE2 PHE B 23 7.460 12.813 9.046 1.00 5.84 C ATOM 1573 CZ PHE B 23 8.072 11.717 9.642 1.00 6.77 C ATOM 0 H PHE B 23 6.577 11.205 3.245 1.00 2.53 H new ATOM 0 HA PHE B 23 6.312 9.712 5.626 1.00 3.15 H new ATOM 0 HB2 PHE B 23 8.145 11.409 4.927 1.00 3.86 H new ATOM 0 HB3 PHE B 23 6.961 12.682 5.149 1.00 3.86 H new ATOM 0 HD1 PHE B 23 8.378 9.726 6.920 1.00 4.54 H new ATOM 0 HD2 PHE B 23 6.712 13.654 7.221 1.00 5.13 H new ATOM 0 HE1 PHE B 23 8.875 9.752 9.339 1.00 5.32 H new ATOM 0 HE2 PHE B 23 7.196 13.674 9.642 1.00 5.84 H new ATOM 0 HZ PHE B 23 8.290 11.729 10.700 1.00 6.77 H new ATOM 1583 N ASP B 24 3.810 10.411 5.810 1.00 2.69 N ATOM 1584 CA ASP B 24 2.582 10.798 6.389 1.00 2.83 C ATOM 1585 C ASP B 24 1.727 9.616 6.358 1.00 2.45 C ATOM 1586 O ASP B 24 0.859 9.434 7.239 1.00 2.75 O ATOM 1587 CB ASP B 24 1.915 11.930 5.606 1.00 3.32 C ATOM 1588 CG ASP B 24 0.718 12.373 6.315 1.00 3.96 C ATOM 1589 OD1 ASP B 24 0.809 12.810 7.483 1.00 4.25 O ATOM 1590 OD2 ASP B 24 -0.398 12.314 5.756 1.00 4.51 O ATOM 0 H ASP B 24 3.803 9.465 5.429 1.00 2.69 H new ATOM 0 HA ASP B 24 2.745 11.167 7.401 1.00 2.83 H new ATOM 0 HB2 ASP B 24 2.609 12.762 5.487 1.00 3.32 H new ATOM 0 HB3 ASP B 24 1.652 11.588 4.605 1.00 3.32 H new ATOM 1595 N ARG B 25 1.910 8.717 5.379 1.00 2.47 N ATOM 1596 CA ARG B 25 1.172 7.520 5.350 1.00 2.98 C ATOM 1597 C ARG B 25 2.067 6.446 5.769 1.00 2.30 C ATOM 1598 O ARG B 25 1.639 5.276 5.863 1.00 2.72 O ATOM 1599 CB ARG B 25 0.682 7.235 3.928 1.00 4.08 C ATOM 1600 CG ARG B 25 -0.216 8.372 3.438 1.00 4.68 C ATOM 1601 CD ARG B 25 -1.475 8.433 4.303 1.00 5.32 C ATOM 1602 NE ARG B 25 -2.188 7.218 4.216 1.00 5.75 N ATOM 1603 CZ ARG B 25 -3.224 7.014 5.042 1.00 6.57 C ATOM 1604 NH1 ARG B 25 -3.551 7.952 5.941 1.00 7.03 N ATOM 1605 NH2 ARG B 25 -3.937 5.881 4.982 1.00 7.21 N ATOM 0 H ARG B 25 2.572 8.829 4.612 1.00 2.47 H new ATOM 0 HA ARG B 25 0.306 7.595 6.008 1.00 2.98 H new ATOM 0 HB2 ARG B 25 1.534 7.121 3.258 1.00 4.08 H new ATOM 0 HB3 ARG B 25 0.133 6.294 3.907 1.00 4.08 H new ATOM 0 HG2 ARG B 25 0.319 9.320 3.488 1.00 4.68 H new ATOM 0 HG3 ARG B 25 -0.486 8.213 2.394 1.00 4.68 H new ATOM 0 HD2 ARG B 25 -1.203 8.629 5.340 1.00 5.32 H new ATOM 0 HD3 ARG B 25 -2.108 9.258 3.978 1.00 5.32 H new ATOM 0 HE ARG B 25 -1.919 6.507 3.536 1.00 5.75 H new ATOM 0 HH11 ARG B 25 -3.013 8.817 5.995 1.00 7.03 H new ATOM 0 HH12 ARG B 25 -4.338 7.801 6.572 1.00 7.03 H new ATOM 0 HH21 ARG B 25 -3.694 5.161 4.302 1.00 7.21 H new ATOM 0 HH22 ARG B 25 -4.723 5.739 5.617 1.00 7.21 H new ATOM 1619 N ARG B 26 3.354 6.722 6.024 1.00 1.75 N ATOM 1620 CA ARG B 26 4.232 5.701 6.438 1.00 1.34 C ATOM 1621 C ARG B 26 5.452 6.276 6.993 1.00 1.19 C ATOM 1622 O ARG B 26 5.638 7.512 6.964 1.00 2.05 O ATOM 1623 CB ARG B 26 4.649 4.845 5.244 1.00 2.02 C ATOM 1624 CG ARG B 26 5.396 5.740 4.256 1.00 2.50 C ATOM 1625 CD ARG B 26 6.062 4.872 3.192 1.00 2.91 C ATOM 1626 NE ARG B 26 7.092 4.118 3.789 1.00 3.64 N ATOM 1627 CZ ARG B 26 7.621 3.094 3.109 1.00 4.57 C ATOM 1628 NH1 ARG B 26 7.136 2.797 1.897 1.00 5.01 N ATOM 1629 NH2 ARG B 26 8.622 2.368 3.624 1.00 5.37 N ATOM 0 H ARG B 26 3.776 7.647 5.942 1.00 1.75 H new ATOM 0 HA ARG B 26 3.710 5.102 7.184 1.00 1.34 H new ATOM 0 HB2 ARG B 26 5.286 4.023 5.569 1.00 2.02 H new ATOM 0 HB3 ARG B 26 3.774 4.402 4.769 1.00 2.02 H new ATOM 0 HG2 ARG B 26 4.705 6.441 3.789 1.00 2.50 H new ATOM 0 HG3 ARG B 26 6.146 6.333 4.780 1.00 2.50 H new ATOM 0 HD2 ARG B 26 5.328 4.209 2.734 1.00 2.91 H new ATOM 0 HD3 ARG B 26 6.467 5.497 2.396 1.00 2.91 H new ATOM 0 HE ARG B 26 7.429 4.349 4.724 1.00 3.64 H new ATOM 0 HH11 ARG B 26 6.373 3.348 1.504 1.00 5.01 H new ATOM 0 HH12 ARG B 26 7.529 2.019 1.367 1.00 5.01 H new ATOM 0 HH21 ARG B 26 8.992 2.593 4.548 1.00 5.37 H new ATOM 0 HH22 ARG B 26 9.014 1.591 3.093 1.00 5.37 H new ATOM 1643 N LEU B 27 6.367 5.446 7.516 1.00 0.90 N ATOM 1644 CA LEU B 27 7.641 5.886 7.940 1.00 0.73 C ATOM 1645 C LEU B 27 7.615 6.747 9.125 1.00 0.77 C ATOM 1646 O LEU B 27 8.704 7.159 9.578 1.00 1.03 O ATOM 1647 CB LEU B 27 8.289 6.623 6.760 1.00 0.72 C ATOM 1648 CG LEU B 27 9.818 6.615 6.846 1.00 0.80 C ATOM 1649 CD1 LEU B 27 10.310 7.395 8.064 1.00 1.23 C ATOM 1650 CD2 LEU B 27 10.319 5.173 6.930 1.00 0.87 C ATOM 0 H LEU B 27 6.211 4.446 7.644 1.00 0.90 H new ATOM 0 HA LEU B 27 8.216 5.011 8.241 1.00 0.73 H new ATOM 0 HB2 LEU B 27 7.976 6.156 5.826 1.00 0.72 H new ATOM 0 HB3 LEU B 27 7.933 7.653 6.737 1.00 0.72 H new ATOM 0 HG LEU B 27 10.210 7.096 5.950 1.00 0.80 H new ATOM 0 HD11 LEU B 27 11.399 7.370 8.096 1.00 1.23 H new ATOM 0 HD12 LEU B 27 9.972 8.429 7.994 1.00 1.23 H new ATOM 0 HD13 LEU B 27 9.910 6.943 8.972 1.00 1.23 H new ATOM 0 HD21 LEU B 27 11.407 5.169 6.991 1.00 0.87 H new ATOM 0 HD22 LEU B 27 9.904 4.695 7.817 1.00 0.87 H new ATOM 0 HD23 LEU B 27 10.003 4.626 6.042 1.00 0.87 H new ATOM 1662 N THR B 28 6.493 7.089 9.775 1.00 0.82 N ATOM 1663 CA THR B 28 6.613 7.907 10.920 1.00 0.93 C ATOM 1664 C THR B 28 6.801 7.018 12.062 1.00 0.87 C ATOM 1665 O THR B 28 6.519 5.811 11.923 1.00 0.80 O ATOM 1666 CB THR B 28 5.344 8.739 11.123 1.00 1.12 C ATOM 1667 OG1 THR B 28 4.269 7.881 11.471 1.00 1.30 O ATOM 1668 CG2 THR B 28 4.988 9.470 9.827 1.00 1.25 C ATOM 0 H THR B 28 5.546 6.811 9.518 1.00 0.82 H new ATOM 0 HA THR B 28 7.451 8.595 10.809 1.00 0.93 H new ATOM 0 HB THR B 28 5.519 9.464 11.918 1.00 1.12 H new ATOM 0 HG1 THR B 28 3.420 8.354 11.347 1.00 1.30 H new ATOM 0 HG21 THR B 28 4.084 10.060 9.979 1.00 1.25 H new ATOM 0 HG22 THR B 28 5.809 10.129 9.544 1.00 1.25 H new ATOM 0 HG23 THR B 28 4.817 8.742 9.034 1.00 1.25 H new ATOM 1676 N PRO B 29 7.275 7.451 13.240 1.00 0.93 N ATOM 1677 CA PRO B 29 7.460 6.590 14.350 1.00 0.90 C ATOM 1678 C PRO B 29 6.313 5.783 14.641 1.00 0.82 C ATOM 1679 O PRO B 29 6.457 4.620 14.984 1.00 0.81 O ATOM 1680 CB PRO B 29 7.735 7.562 15.498 1.00 1.01 C ATOM 1681 CG PRO B 29 8.404 8.741 14.794 1.00 1.10 C ATOM 1682 CD PRO B 29 7.677 8.804 13.450 1.00 1.06 C ATOM 0 HA PRO B 29 8.257 5.869 14.169 1.00 0.90 H new ATOM 0 HB2 PRO B 29 6.816 7.861 16.003 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.385 7.121 16.254 1.00 1.01 H new ATOM 0 HG2 PRO B 29 8.287 9.666 15.359 1.00 1.10 H new ATOM 0 HG3 PRO B 29 9.474 8.579 14.666 1.00 1.10 H new ATOM 0 HD2 PRO B 29 6.822 9.479 13.485 1.00 1.06 H new ATOM 0 HD3 PRO B 29 8.331 9.159 12.653 1.00 1.06 H new ATOM 1690 N GLU B 30 5.110 6.294 14.545 1.00 0.82 N ATOM 1691 CA GLU B 30 3.971 5.508 14.811 1.00 0.81 C ATOM 1692 C GLU B 30 3.641 4.662 13.664 1.00 0.79 C ATOM 1693 O GLU B 30 3.418 3.444 13.839 1.00 0.84 O ATOM 1694 CB GLU B 30 2.796 6.437 15.122 1.00 0.88 C ATOM 1695 CG GLU B 30 1.561 5.597 15.455 1.00 1.45 C ATOM 1696 CD GLU B 30 0.452 6.477 15.813 1.00 2.08 C ATOM 1697 OE1 GLU B 30 0.560 7.257 16.784 1.00 2.61 O ATOM 1698 OE2 GLU B 30 -0.609 6.445 15.154 1.00 2.70 O ATOM 0 H GLU B 30 4.913 7.259 14.281 1.00 0.82 H new ATOM 0 HA GLU B 30 4.176 4.859 15.662 1.00 0.81 H new ATOM 0 HB2 GLU B 30 3.044 7.088 15.960 1.00 0.88 H new ATOM 0 HB3 GLU B 30 2.592 7.082 14.267 1.00 0.88 H new ATOM 0 HG2 GLU B 30 1.287 4.980 14.599 1.00 1.45 H new ATOM 0 HG3 GLU B 30 1.781 4.919 16.280 1.00 1.45 H new ATOM 1705 N TRP B 31 3.582 5.181 12.428 1.00 0.77 N ATOM 1706 CA TRP B 31 3.205 4.371 11.334 1.00 0.78 C ATOM 1707 C TRP B 31 4.100 3.238 11.114 1.00 0.69 C ATOM 1708 O TRP B 31 3.637 2.234 10.538 1.00 0.70 O ATOM 1709 CB TRP B 31 3.096 5.173 10.038 1.00 0.92 C ATOM 1710 CG TRP B 31 1.711 5.595 9.842 1.00 1.37 C ATOM 1711 CD1 TRP B 31 0.873 5.187 8.810 1.00 2.28 C ATOM 1712 CD2 TRP B 31 0.956 6.450 10.631 1.00 1.67 C ATOM 1713 NE1 TRP B 31 -0.325 5.780 8.954 1.00 2.57 N ATOM 1714 CE2 TRP B 31 -0.292 6.549 10.052 1.00 2.12 C ATOM 1715 CE3 TRP B 31 1.271 7.131 11.796 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -1.283 7.346 10.605 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 0.284 7.934 12.362 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -0.978 8.042 11.772 1.00 3.02 C ATOM 0 H TRP B 31 3.794 6.151 12.195 1.00 0.77 H new ATOM 0 HA TRP B 31 2.225 3.980 11.606 1.00 0.78 H new ATOM 0 HB2 TRP B 31 3.750 6.044 10.080 1.00 0.92 H new ATOM 0 HB3 TRP B 31 3.426 4.567 9.194 1.00 0.92 H new ATOM 0 HD1 TRP B 31 1.142 4.503 8.019 1.00 2.28 H new ATOM 0 HE1 TRP B 31 -1.125 5.664 8.332 1.00 2.57 H new ATOM 0 HE3 TRP B 31 2.247 7.042 12.249 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -2.258 7.424 10.146 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 0.497 8.480 13.269 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -1.727 8.674 12.227 1.00 3.02 H new ATOM 1729 N ARG B 32 5.394 3.251 11.464 1.00 0.68 N ATOM 1730 CA ARG B 32 6.207 2.119 11.223 1.00 0.61 C ATOM 1731 C ARG B 32 5.657 0.956 11.921 1.00 0.61 C ATOM 1732 O ARG B 32 5.569 -0.141 11.327 1.00 0.60 O ATOM 1733 CB ARG B 32 7.601 2.399 11.787 1.00 0.66 C ATOM 1734 CG ARG B 32 8.297 3.488 10.969 1.00 0.89 C ATOM 1735 CD ARG B 32 9.534 3.958 11.738 1.00 0.80 C ATOM 1736 NE ARG B 32 9.967 5.211 11.255 1.00 0.83 N ATOM 1737 CZ ARG B 32 10.991 5.838 11.850 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.626 5.260 12.879 1.00 0.82 N ATOM 1739 NH2 ARG B 32 11.376 7.048 11.422 1.00 0.97 N ATOM 0 H ARG B 32 5.868 4.038 11.908 1.00 0.68 H new ATOM 0 HA ARG B 32 6.248 1.920 10.152 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.523 2.711 12.828 1.00 0.66 H new ATOM 0 HB3 ARG B 32 8.197 1.486 11.771 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.583 3.102 9.991 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.619 4.323 10.796 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.303 4.031 12.801 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.334 3.225 11.635 1.00 0.80 H new ATOM 0 HE ARG B 32 9.502 5.639 10.455 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.330 4.342 13.210 1.00 0.82 H new ATOM 0 HH12 ARG B 32 12.405 5.738 13.331 1.00 0.82 H new ATOM 0 HH21 ARG B 32 10.890 7.492 10.643 1.00 0.97 H new ATOM 0 HH22 ARG B 32 12.155 7.525 11.875 1.00 0.97 H new ATOM 1753 N ARG B 33 5.242 1.075 13.192 1.00 0.66 N ATOM 1754 CA ARG B 33 4.687 -0.018 13.894 1.00 0.69 C ATOM 1755 C ARG B 33 3.384 -0.381 13.340 1.00 0.71 C ATOM 1756 O ARG B 33 3.080 -1.587 13.205 1.00 0.73 O ATOM 1757 CB ARG B 33 4.497 0.396 15.354 1.00 0.79 C ATOM 1758 CG ARG B 33 3.934 -0.786 16.144 1.00 1.15 C ATOM 1759 CD ARG B 33 3.788 -0.397 17.616 1.00 1.14 C ATOM 1760 NE ARG B 33 3.269 -1.490 18.339 1.00 1.66 N ATOM 1761 CZ ARG B 33 2.320 -1.294 19.264 1.00 2.23 C ATOM 1762 NH1 ARG B 33 1.849 -0.059 19.489 1.00 2.27 N ATOM 1763 NH2 ARG B 33 1.841 -2.331 19.963 1.00 3.10 N ATOM 0 H ARG B 33 5.295 1.940 13.731 1.00 0.66 H new ATOM 0 HA ARG B 33 5.357 -0.874 13.809 1.00 0.69 H new ATOM 0 HB2 ARG B 33 5.448 0.714 15.781 1.00 0.79 H new ATOM 0 HB3 ARG B 33 3.819 1.247 15.418 1.00 0.79 H new ATOM 0 HG2 ARG B 33 2.966 -1.080 15.738 1.00 1.15 H new ATOM 0 HG3 ARG B 33 4.595 -1.648 16.049 1.00 1.15 H new ATOM 0 HD2 ARG B 33 4.755 -0.103 18.024 1.00 1.14 H new ATOM 0 HD3 ARG B 33 3.127 0.464 17.712 1.00 1.14 H new ATOM 0 HE ARG B 33 3.617 -2.432 18.158 1.00 1.66 H new ATOM 0 HH11 ARG B 33 2.213 0.731 18.956 1.00 2.27 H new ATOM 0 HH12 ARG B 33 1.126 0.091 20.193 1.00 2.27 H new ATOM 0 HH21 ARG B 33 2.199 -3.271 19.791 1.00 3.10 H new ATOM 0 HH22 ARG B 33 1.118 -2.181 20.667 1.00 3.10 H new ATOM 1777 N TYR B 34 2.535 0.594 12.978 1.00 0.73 N ATOM 1778 CA TYR B 34 1.269 0.323 12.409 1.00 0.76 C ATOM 1779 C TYR B 34 1.394 -0.522 11.227 1.00 0.64 C ATOM 1780 O TYR B 34 0.590 -1.462 11.047 1.00 0.67 O ATOM 1781 CB TYR B 34 0.640 1.653 11.987 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.524 1.414 11.139 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.657 0.783 11.640 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -0.476 1.800 9.804 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -2.744 0.546 10.806 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -1.563 1.567 8.971 1.00 1.64 C ATOM 1787 CZ TYR B 34 -2.697 0.939 9.472 1.00 1.18 C ATOM 1788 OH TYR B 34 -3.755 0.719 8.664 1.00 1.42 O ATOM 0 H TYR B 34 2.738 1.588 13.086 1.00 0.73 H new ATOM 0 HA TYR B 34 0.655 -0.195 13.146 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.345 2.221 12.870 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.372 2.256 11.450 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.693 0.477 12.675 1.00 1.23 H new ATOM 0 HD2 TYR B 34 0.408 2.282 9.414 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -3.625 0.057 11.194 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -1.527 1.873 7.936 1.00 1.64 H new ATOM 0 HH TYR B 34 -3.662 1.256 7.849 1.00 1.42 H new ATOM 1798 N LEU B 35 2.356 -0.260 10.333 1.00 0.55 N ATOM 1799 CA LEU B 35 2.499 -1.033 9.166 1.00 0.49 C ATOM 1800 C LEU B 35 2.989 -2.365 9.500 1.00 0.45 C ATOM 1801 O LEU B 35 2.370 -3.369 9.090 1.00 0.46 O ATOM 1802 CB LEU B 35 3.550 -0.358 8.284 1.00 0.57 C ATOM 1803 CG LEU B 35 3.010 0.985 7.794 1.00 0.66 C ATOM 1804 CD1 LEU B 35 4.105 1.741 7.041 1.00 1.03 C ATOM 1805 CD2 LEU B 35 1.823 0.734 6.870 1.00 1.32 C ATOM 0 H LEU B 35 3.035 0.495 10.428 1.00 0.55 H new ATOM 0 HA LEU B 35 1.536 -1.114 8.663 1.00 0.49 H new ATOM 0 HB2 LEU B 35 4.472 -0.209 8.846 1.00 0.57 H new ATOM 0 HB3 LEU B 35 3.794 -0.997 7.435 1.00 0.57 H new ATOM 0 HG LEU B 35 2.691 1.586 8.646 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.714 2.698 6.694 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.951 1.914 7.706 1.00 1.03 H new ATOM 0 HD13 LEU B 35 4.432 1.151 6.185 1.00 1.03 H new ATOM 0 HD21 LEU B 35 1.430 1.687 6.515 1.00 1.32 H new ATOM 0 HD22 LEU B 35 2.145 0.134 6.019 1.00 1.32 H new ATOM 0 HD23 LEU B 35 1.044 0.201 7.415 1.00 1.32 H new ATOM 1817 N SER B 36 4.078 -2.491 10.272 1.00 0.46 N ATOM 1818 CA SER B 36 4.658 -3.746 10.563 1.00 0.48 C ATOM 1819 C SER B 36 3.690 -4.732 11.037 1.00 0.59 C ATOM 1820 O SER B 36 3.794 -5.920 10.658 1.00 0.66 O ATOM 1821 CB SER B 36 5.699 -3.548 11.666 1.00 0.52 C ATOM 1822 OG SER B 36 6.741 -2.707 11.196 1.00 1.35 O ATOM 0 H SER B 36 4.561 -1.701 10.700 1.00 0.46 H new ATOM 0 HA SER B 36 5.091 -4.124 9.637 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.231 -3.106 12.546 1.00 0.52 H new ATOM 0 HB3 SER B 36 6.106 -4.512 11.972 1.00 0.52 H new ATOM 0 HG SER B 36 6.447 -1.773 11.229 1.00 1.35 H new ATOM 1828 N GLN B 37 2.706 -4.365 11.870 1.00 0.67 N ATOM 1829 CA GLN B 37 1.805 -5.316 12.395 1.00 0.80 C ATOM 1830 C GLN B 37 1.032 -6.004 11.361 1.00 0.75 C ATOM 1831 O GLN B 37 0.747 -7.211 11.521 1.00 0.86 O ATOM 1832 CB GLN B 37 0.820 -4.581 13.306 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.116 -5.596 13.964 1.00 1.09 C ATOM 1834 CD GLN B 37 0.673 -6.549 14.739 1.00 1.99 C ATOM 1835 OE1 GLN B 37 0.593 -7.772 14.495 1.00 2.71 O ATOM 1836 NE2 GLN B 37 1.478 -6.110 15.716 1.00 2.65 N ATOM 0 H GLN B 37 2.540 -3.406 12.176 1.00 0.67 H new ATOM 0 HA GLN B 37 2.391 -6.067 12.925 1.00 0.80 H new ATOM 0 HB2 GLN B 37 1.361 -4.021 14.069 1.00 0.91 H new ATOM 0 HB3 GLN B 37 0.243 -3.858 12.729 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -0.828 -5.085 14.612 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.696 -6.120 13.204 1.00 1.09 H new ATOM 0 HE21 GLN B 37 1.542 -5.111 15.914 1.00 2.65 H new ATOM 0 HE22 GLN B 37 2.027 -6.774 16.262 1.00 2.65 H new ATOM 1845 N ARG B 38 0.614 -5.370 10.257 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.164 -6.070 9.309 1.00 0.68 C ATOM 1847 C ARG B 38 0.533 -6.133 8.026 1.00 0.59 C ATOM 1848 O ARG B 38 -0.033 -6.623 7.026 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.509 -5.357 9.159 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.236 -5.400 10.505 1.00 1.20 C ATOM 1851 CD ARG B 38 -3.657 -4.851 10.359 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.404 -5.718 9.536 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.673 -5.420 9.226 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -6.238 -4.308 9.714 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.379 -6.238 8.434 1.00 3.07 N ATOM 0 H ARG B 38 0.812 -4.396 10.029 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.329 -7.093 9.648 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.357 -4.325 8.844 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.110 -5.840 8.389 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.271 -6.425 10.875 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -1.686 -4.814 11.242 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.128 -4.763 11.338 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -3.631 -3.851 9.926 1.00 1.55 H new ATOM 0 HE ARG B 38 -3.978 -6.572 9.176 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -5.702 -3.688 10.322 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -7.204 -4.081 9.478 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -5.950 -7.088 8.067 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.345 -6.011 8.198 1.00 3.07 H new ATOM 1869 N LEU B 39 1.790 -5.679 7.930 1.00 0.55 N ATOM 1870 CA LEU B 39 2.490 -5.712 6.706 1.00 0.47 C ATOM 1871 C LEU B 39 3.293 -6.932 6.636 1.00 0.51 C ATOM 1872 O LEU B 39 3.231 -7.653 5.615 1.00 0.53 O ATOM 1873 CB LEU B 39 3.358 -4.456 6.649 1.00 0.36 C ATOM 1874 CG LEU B 39 4.139 -4.376 5.342 1.00 0.30 C ATOM 1875 CD1 LEU B 39 3.183 -4.322 4.149 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.975 -3.099 5.402 1.00 0.24 C ATOM 0 H LEU B 39 2.318 -5.288 8.710 1.00 0.55 H new ATOM 0 HA LEU B 39 1.813 -5.724 5.852 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.728 -3.572 6.753 1.00 0.36 H new ATOM 0 HB3 LEU B 39 4.052 -4.453 7.490 1.00 0.36 H new ATOM 0 HG LEU B 39 4.772 -5.255 5.217 1.00 0.30 H new ATOM 0 HD11 LEU B 39 3.758 -4.265 3.225 1.00 0.34 H new ATOM 0 HD12 LEU B 39 2.565 -5.220 4.137 1.00 0.34 H new ATOM 0 HD13 LEU B 39 2.544 -3.443 4.234 1.00 0.34 H new ATOM 0 HD21 LEU B 39 5.553 -2.999 4.484 1.00 0.24 H new ATOM 0 HD22 LEU B 39 4.316 -2.238 5.511 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.653 -3.148 6.254 1.00 0.24 H new ATOM 1888 N GLY B 40 4.068 -7.294 7.670 1.00 0.56 N ATOM 1889 CA GLY B 40 4.780 -8.515 7.638 1.00 0.64 C ATOM 1890 C GLY B 40 6.200 -8.332 7.934 1.00 0.60 C ATOM 1891 O GLY B 40 6.903 -9.333 8.191 1.00 0.68 O ATOM 0 H GLY B 40 4.197 -6.742 8.518 1.00 0.56 H new ATOM 0 HA2 GLY B 40 4.346 -9.206 8.360 1.00 0.64 H new ATOM 0 HA3 GLY B 40 4.671 -8.972 6.654 1.00 0.64 H new ATOM 1895 N LEU B 41 6.760 -7.114 7.936 1.00 0.54 N ATOM 1896 CA LEU B 41 8.122 -6.973 8.280 1.00 0.54 C ATOM 1897 C LEU B 41 8.238 -5.965 9.331 1.00 0.50 C ATOM 1898 O LEU B 41 7.222 -5.331 9.685 1.00 0.59 O ATOM 1899 CB LEU B 41 8.989 -6.627 7.064 1.00 0.56 C ATOM 1900 CG LEU B 41 8.380 -5.509 6.217 1.00 0.59 C ATOM 1901 CD1 LEU B 41 7.253 -6.086 5.361 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.838 -4.401 7.120 1.00 1.25 C ATOM 0 H LEU B 41 6.276 -6.247 7.703 1.00 0.54 H new ATOM 0 HA LEU B 41 8.496 -7.927 8.651 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.981 -6.325 7.401 1.00 0.56 H new ATOM 0 HB3 LEU B 41 9.119 -7.517 6.448 1.00 0.56 H new ATOM 0 HG LEU B 41 9.148 -5.084 5.570 1.00 0.59 H new ATOM 0 HD11 LEU B 41 6.814 -5.294 4.755 1.00 0.60 H new ATOM 0 HD12 LEU B 41 7.652 -6.863 4.709 1.00 0.60 H new ATOM 0 HD13 LEU B 41 6.487 -6.514 6.008 1.00 0.60 H new ATOM 0 HD21 LEU B 41 7.407 -3.610 6.506 1.00 1.25 H new ATOM 0 HD22 LEU B 41 7.070 -4.810 7.777 1.00 1.25 H new ATOM 0 HD23 LEU B 41 8.650 -3.992 7.721 1.00 1.25 H new ATOM 1914 N ASN B 42 9.409 -5.742 9.945 1.00 0.51 N ATOM 1915 CA ASN B 42 9.483 -4.821 11.012 1.00 0.53 C ATOM 1916 C ASN B 42 9.803 -3.463 10.592 1.00 0.44 C ATOM 1917 O ASN B 42 10.062 -3.186 9.401 1.00 0.38 O ATOM 1918 CB ASN B 42 10.509 -5.284 12.047 1.00 0.66 C ATOM 1919 CG ASN B 42 9.913 -6.342 12.853 1.00 0.81 C ATOM 1920 OD1 ASN B 42 10.308 -7.523 12.746 1.00 1.11 O ATOM 1921 ND2 ASN B 42 8.918 -6.028 13.695 1.00 1.45 N ATOM 0 H ASN B 42 10.289 -6.196 9.702 1.00 0.51 H new ATOM 0 HA ASN B 42 8.485 -4.793 11.449 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.409 -5.648 11.551 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.810 -4.450 12.681 1.00 0.66 H new ATOM 0 HD21 ASN B 42 8.476 -6.756 14.256 1.00 1.45 H new ATOM 0 HD22 ASN B 42 8.603 -5.061 13.775 1.00 1.45 H new ATOM 1928 N GLU B 43 9.802 -2.522 11.548 1.00 0.47 N ATOM 1929 CA GLU B 43 10.030 -1.156 11.281 1.00 0.45 C ATOM 1930 C GLU B 43 11.316 -0.947 10.619 1.00 0.40 C ATOM 1931 O GLU B 43 11.471 0.042 9.871 1.00 0.38 O ATOM 1932 CB GLU B 43 10.032 -0.407 12.616 1.00 0.56 C ATOM 1933 CG GLU B 43 8.828 -0.842 13.458 1.00 0.67 C ATOM 1934 CD GLU B 43 9.085 -2.163 14.029 1.00 0.87 C ATOM 1935 OE1 GLU B 43 10.079 -2.333 14.768 1.00 1.31 O ATOM 1936 OE2 GLU B 43 8.326 -3.126 13.781 1.00 1.77 O ATOM 0 H GLU B 43 9.637 -2.726 12.534 1.00 0.47 H new ATOM 0 HA GLU B 43 9.246 -0.790 10.618 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.957 -0.610 13.156 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.995 0.668 12.440 1.00 0.56 H new ATOM 0 HG2 GLU B 43 8.647 -0.119 14.253 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.930 -0.869 12.841 1.00 0.67 H new ATOM 1943 N GLU B 44 12.314 -1.824 10.800 1.00 0.46 N ATOM 1944 CA GLU B 44 13.545 -1.681 10.130 1.00 0.46 C ATOM 1945 C GLU B 44 13.336 -1.788 8.689 1.00 0.40 C ATOM 1946 O GLU B 44 13.927 -1.014 7.909 1.00 0.43 O ATOM 1947 CB GLU B 44 14.485 -2.801 10.581 1.00 0.60 C ATOM 1948 CG GLU B 44 15.823 -2.656 9.855 1.00 1.05 C ATOM 1949 CD GLU B 44 16.755 -3.671 10.337 1.00 1.49 C ATOM 1950 OE1 GLU B 44 16.474 -4.884 10.219 1.00 1.77 O ATOM 1951 OE2 GLU B 44 17.835 -3.328 10.864 1.00 2.32 O ATOM 0 H GLU B 44 12.259 -2.635 11.417 1.00 0.46 H new ATOM 0 HA GLU B 44 13.977 -0.708 10.363 1.00 0.46 H new ATOM 0 HB2 GLU B 44 14.636 -2.754 11.660 1.00 0.60 H new ATOM 0 HB3 GLU B 44 14.043 -3.773 10.363 1.00 0.60 H new ATOM 0 HG2 GLU B 44 15.678 -2.762 8.780 1.00 1.05 H new ATOM 0 HG3 GLU B 44 16.234 -1.661 10.024 1.00 1.05 H new ATOM 1958 N GLN B 45 12.493 -2.704 8.192 1.00 0.40 N ATOM 1959 CA GLN B 45 12.325 -2.826 6.798 1.00 0.41 C ATOM 1960 C GLN B 45 11.488 -1.746 6.274 1.00 0.35 C ATOM 1961 O GLN B 45 11.364 -1.617 5.037 1.00 0.41 O ATOM 1962 CB GLN B 45 11.683 -4.177 6.488 1.00 0.51 C ATOM 1963 CG GLN B 45 12.568 -5.298 7.036 1.00 0.60 C ATOM 1964 CD GLN B 45 13.898 -5.222 6.441 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.896 -5.016 7.165 1.00 0.90 O ATOM 1966 NE2 GLN B 45 14.053 -5.373 5.119 1.00 0.97 N ATOM 0 H GLN B 45 11.938 -3.349 8.754 1.00 0.40 H new ATOM 0 HA GLN B 45 13.302 -2.759 6.319 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.690 -4.231 6.935 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.555 -4.293 5.412 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.641 -5.217 8.121 1.00 0.60 H new ATOM 0 HG3 GLN B 45 12.118 -6.267 6.818 1.00 0.60 H new ATOM 0 HE21 GLN B 45 13.240 -5.541 4.526 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.984 -5.320 4.705 1.00 0.97 H new ATOM 1975 N ILE B 46 10.852 -0.902 7.100 1.00 0.29 N ATOM 1976 CA ILE B 46 10.116 0.189 6.592 1.00 0.30 C ATOM 1977 C ILE B 46 11.082 1.229 6.254 1.00 0.39 C ATOM 1978 O ILE B 46 11.049 1.793 5.138 1.00 0.52 O ATOM 1979 CB ILE B 46 9.176 0.724 7.678 1.00 0.35 C ATOM 1980 CG1 ILE B 46 8.193 -0.365 8.109 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.389 1.920 7.138 1.00 0.45 C ATOM 1982 CD1 ILE B 46 7.331 -0.771 6.914 1.00 0.38 C ATOM 0 H ILE B 46 10.852 -0.982 8.117 1.00 0.29 H new ATOM 0 HA ILE B 46 9.526 -0.110 5.726 1.00 0.30 H new ATOM 0 HB ILE B 46 9.774 1.032 8.536 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.735 -1.230 8.491 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.562 -0.001 8.920 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.722 2.297 7.914 1.00 0.45 H new ATOM 0 HG22 ILE B 46 9.082 2.707 6.841 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.802 1.609 6.274 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.629 -1.547 7.219 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.778 0.096 6.553 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.970 -1.152 6.117 1.00 0.38 H new ATOM 1994 N GLU B 47 12.014 1.546 7.164 1.00 0.38 N ATOM 1995 CA GLU B 47 12.992 2.531 6.913 1.00 0.47 C ATOM 1996 C GLU B 47 13.909 2.100 5.858 1.00 0.51 C ATOM 1997 O GLU B 47 14.360 2.939 5.047 1.00 0.62 O ATOM 1998 CB GLU B 47 13.792 2.735 8.201 1.00 0.50 C ATOM 1999 CG GLU B 47 12.881 3.308 9.287 1.00 0.51 C ATOM 2000 CD GLU B 47 13.645 3.475 10.520 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.657 4.208 10.533 1.00 1.11 O ATOM 2002 OE2 GLU B 47 13.283 2.892 11.565 1.00 1.19 O ATOM 0 H GLU B 47 12.083 1.109 8.083 1.00 0.38 H new ATOM 0 HA GLU B 47 12.503 3.451 6.593 1.00 0.47 H new ATOM 0 HB2 GLU B 47 14.216 1.787 8.531 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.627 3.411 8.019 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.472 4.266 8.966 1.00 0.51 H new ATOM 0 HG3 GLU B 47 12.035 2.642 9.457 1.00 0.51 H new ATOM 2009 N ARG B 48 14.257 0.810 5.751 1.00 0.48 N ATOM 2010 CA ARG B 48 15.163 0.395 4.752 1.00 0.55 C ATOM 2011 C ARG B 48 14.507 0.315 3.454 1.00 0.60 C ATOM 2012 O ARG B 48 15.109 0.787 2.469 1.00 0.68 O ATOM 2013 CB ARG B 48 15.742 -0.977 5.104 1.00 0.56 C ATOM 2014 CG ARG B 48 17.063 -0.801 5.858 1.00 0.62 C ATOM 2015 CD ARG B 48 16.842 -0.092 7.194 1.00 0.60 C ATOM 2016 NE ARG B 48 18.068 -0.014 7.886 1.00 0.71 N ATOM 2017 CZ ARG B 48 18.110 0.498 9.123 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.989 0.948 9.703 1.00 0.79 N ATOM 2019 NH2 ARG B 48 19.276 0.562 9.781 1.00 0.94 N ATOM 0 H ARG B 48 13.910 0.065 6.355 1.00 0.48 H new ATOM 0 HA ARG B 48 15.964 1.132 4.699 1.00 0.55 H new ATOM 0 HB2 ARG B 48 15.034 -1.535 5.717 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.905 -1.558 4.196 1.00 0.56 H new ATOM 0 HG2 ARG B 48 17.520 -1.776 6.031 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.760 -0.226 5.248 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.441 0.908 7.027 1.00 0.60 H new ATOM 0 HD3 ARG B 48 16.108 -0.634 7.790 1.00 0.60 H new ATOM 0 HE ARG B 48 18.924 -0.348 7.444 1.00 0.71 H new ATOM 0 HH11 ARG B 48 16.102 0.901 9.202 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.023 1.338 10.645 1.00 0.79 H new ATOM 0 HH21 ARG B 48 20.130 0.221 9.340 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.309 0.952 10.723 1.00 0.94 H new ATOM 2033 N TRP B 49 13.289 -0.217 3.283 1.00 0.56 N ATOM 2034 CA TRP B 49 12.713 -0.225 1.992 1.00 0.64 C ATOM 2035 C TRP B 49 12.626 1.146 1.500 1.00 0.69 C ATOM 2036 O TRP B 49 12.895 1.400 0.307 1.00 0.81 O ATOM 2037 CB TRP B 49 11.293 -0.794 2.024 1.00 0.75 C ATOM 2038 CG TRP B 49 10.775 -0.879 0.657 1.00 1.06 C ATOM 2039 CD1 TRP B 49 10.878 -1.974 -0.196 1.00 0.90 C ATOM 2040 CD2 TRP B 49 10.117 0.102 -0.071 1.00 1.95 C ATOM 2041 NE1 TRP B 49 10.305 -1.675 -1.374 1.00 1.29 N ATOM 2042 CE2 TRP B 49 9.839 -0.421 -1.316 1.00 1.98 C ATOM 2043 CE3 TRP B 49 9.753 1.396 0.267 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 9.182 0.323 -2.284 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 9.107 2.161 -0.702 1.00 3.66 C ATOM 2046 CH2 TRP B 49 8.821 1.630 -1.962 1.00 3.63 C ATOM 0 H TRP B 49 12.719 -0.630 4.021 1.00 0.56 H new ATOM 0 HA TRP B 49 13.339 -0.843 1.348 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.295 -1.781 2.487 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.648 -0.159 2.631 1.00 0.75 H new ATOM 0 HD1 TRP B 49 11.345 -2.916 0.050 1.00 0.90 H new ATOM 0 HE1 TRP B 49 10.236 -2.299 -2.178 1.00 1.29 H new ATOM 0 HE3 TRP B 49 9.963 1.797 1.247 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 8.958 -0.096 -3.254 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 8.824 3.178 -0.476 1.00 3.66 H new ATOM 0 HH2 TRP B 49 8.314 2.240 -2.695 1.00 3.63 H new ATOM 2057 N PHE B 50 12.225 2.112 2.339 1.00 0.65 N ATOM 2058 CA PHE B 50 12.056 3.446 1.913 1.00 0.72 C ATOM 2059 C PHE B 50 13.285 4.016 1.359 1.00 0.78 C ATOM 2060 O PHE B 50 13.293 4.452 0.186 1.00 0.89 O ATOM 2061 CB PHE B 50 11.631 4.264 3.133 1.00 0.72 C ATOM 2062 CG PHE B 50 11.330 5.641 2.756 1.00 0.86 C ATOM 2063 CD1 PHE B 50 10.206 5.911 1.983 1.00 1.66 C ATOM 2064 CD2 PHE B 50 12.155 6.680 3.172 1.00 1.33 C ATOM 2065 CE1 PHE B 50 9.899 7.222 1.636 1.00 2.06 C ATOM 2066 CE2 PHE B 50 11.850 7.990 2.820 1.00 1.54 C ATOM 2067 CZ PHE B 50 10.722 8.261 2.053 1.00 1.68 C ATOM 0 H PHE B 50 12.017 1.957 3.325 1.00 0.65 H new ATOM 0 HA PHE B 50 11.308 3.469 1.121 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.754 3.809 3.594 1.00 0.72 H new ATOM 0 HB3 PHE B 50 12.426 4.252 3.879 1.00 0.72 H new ATOM 0 HD1 PHE B 50 9.571 5.102 1.652 1.00 1.66 H new ATOM 0 HD2 PHE B 50 13.031 6.470 3.767 1.00 1.33 H new ATOM 0 HE1 PHE B 50 9.021 7.433 1.043 1.00 2.06 H new ATOM 0 HE2 PHE B 50 12.490 8.798 3.143 1.00 1.54 H new ATOM 0 HZ PHE B 50 10.486 9.279 1.781 1.00 1.68 H new ATOM 2077 N ARG B 51 14.399 4.118 2.098 1.00 0.75 N ATOM 2078 CA ARG B 51 15.524 4.750 1.527 1.00 0.82 C ATOM 2079 C ARG B 51 16.249 3.867 0.612 1.00 0.87 C ATOM 2080 O ARG B 51 16.702 4.343 -0.449 1.00 0.99 O ATOM 2081 CB ARG B 51 16.413 5.329 2.634 1.00 0.80 C ATOM 2082 CG ARG B 51 17.104 4.249 3.468 1.00 0.78 C ATOM 2083 CD ARG B 51 18.516 4.026 2.921 1.00 1.15 C ATOM 2084 NE ARG B 51 19.200 3.095 3.730 1.00 1.48 N ATOM 2085 CZ ARG B 51 20.405 3.399 4.231 1.00 1.92 C ATOM 2086 NH1 ARG B 51 20.960 4.591 3.973 1.00 2.22 N ATOM 2087 NH2 ARG B 51 21.057 2.510 4.992 1.00 2.46 N ATOM 0 H ARG B 51 14.514 3.776 3.052 1.00 0.75 H new ATOM 0 HA ARG B 51 15.182 5.580 0.909 1.00 0.82 H new ATOM 0 HB2 ARG B 51 17.169 5.974 2.186 1.00 0.80 H new ATOM 0 HB3 ARG B 51 15.807 5.955 3.289 1.00 0.80 H new ATOM 0 HG2 ARG B 51 17.149 4.552 4.514 1.00 0.78 H new ATOM 0 HG3 ARG B 51 16.534 3.321 3.429 1.00 0.78 H new ATOM 0 HD2 ARG B 51 18.465 3.662 1.895 1.00 1.15 H new ATOM 0 HD3 ARG B 51 19.060 4.970 2.897 1.00 1.15 H new ATOM 0 HE ARG B 51 18.777 2.189 3.934 1.00 1.48 H new ATOM 0 HH11 ARG B 51 20.465 5.269 3.394 1.00 2.22 H new ATOM 0 HH12 ARG B 51 21.877 4.820 4.356 1.00 2.22 H new ATOM 0 HH21 ARG B 51 20.636 1.602 5.190 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.974 2.741 5.374 1.00 2.46 H new ATOM 2101 N ARG B 52 16.410 2.556 0.853 1.00 0.84 N ATOM 2102 CA ARG B 52 17.087 1.729 -0.078 1.00 0.98 C ATOM 2103 C ARG B 52 16.376 1.601 -1.350 1.00 1.11 C ATOM 2104 O ARG B 52 16.904 0.926 -2.259 1.00 1.27 O ATOM 2105 CB ARG B 52 17.259 0.310 0.471 1.00 1.02 C ATOM 2106 CG ARG B 52 18.129 0.322 1.728 1.00 1.23 C ATOM 2107 CD ARG B 52 19.606 0.362 1.332 1.00 1.31 C ATOM 2108 NE ARG B 52 19.915 1.602 0.739 1.00 1.79 N ATOM 2109 CZ ARG B 52 21.068 1.757 0.074 1.00 2.25 C ATOM 2110 NH1 ARG B 52 21.924 0.731 -0.032 1.00 2.15 N ATOM 2111 NH2 ARG B 52 21.365 2.939 -0.483 1.00 3.07 N ATOM 0 H ARG B 52 16.072 2.076 1.688 1.00 0.84 H new ATOM 0 HA ARG B 52 18.048 2.215 -0.243 1.00 0.98 H new ATOM 0 HB2 ARG B 52 16.283 -0.117 0.701 1.00 1.02 H new ATOM 0 HB3 ARG B 52 17.715 -0.327 -0.287 1.00 1.02 H new ATOM 0 HG2 ARG B 52 17.884 1.188 2.343 1.00 1.23 H new ATOM 0 HG3 ARG B 52 17.928 -0.564 2.330 1.00 1.23 H new ATOM 0 HD2 ARG B 52 20.231 0.205 2.211 1.00 1.31 H new ATOM 0 HD3 ARG B 52 19.826 -0.448 0.636 1.00 1.31 H new ATOM 0 HE ARG B 52 19.261 2.381 0.816 1.00 1.79 H new ATOM 0 HH11 ARG B 52 21.698 -0.168 0.394 1.00 2.15 H new ATOM 0 HH12 ARG B 52 22.802 0.849 -0.538 1.00 2.15 H new ATOM 0 HH21 ARG B 52 20.714 3.720 -0.401 1.00 3.07 H new ATOM 0 HH22 ARG B 52 22.242 3.058 -0.989 1.00 3.07 H new ATOM 2125 N LYS B 53 15.179 2.160 -1.576 1.00 1.08 N ATOM 2126 CA LYS B 53 14.577 1.982 -2.834 1.00 1.25 C ATOM 2127 C LYS B 53 14.887 3.167 -3.627 1.00 1.35 C ATOM 2128 O LYS B 53 15.497 3.052 -4.711 1.00 1.57 O ATOM 2129 CB LYS B 53 13.066 1.806 -2.680 1.00 1.20 C ATOM 2130 CG LYS B 53 12.462 1.494 -4.048 1.00 1.31 C ATOM 2131 CD LYS B 53 12.794 0.045 -4.410 1.00 1.89 C ATOM 2132 CE LYS B 53 12.042 -0.355 -5.681 1.00 2.23 C ATOM 2133 NZ LYS B 53 12.602 0.358 -6.828 1.00 2.62 N ATOM 0 H LYS B 53 14.650 2.717 -0.905 1.00 1.08 H new ATOM 0 HA LYS B 53 14.955 1.086 -3.326 1.00 1.25 H new ATOM 0 HB2 LYS B 53 12.850 0.999 -1.980 1.00 1.20 H new ATOM 0 HB3 LYS B 53 12.621 2.712 -2.269 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.382 1.641 -4.027 1.00 1.31 H new ATOM 0 HG3 LYS B 53 12.861 2.173 -4.801 1.00 1.31 H new ATOM 0 HD2 LYS B 53 13.868 -0.065 -4.562 1.00 1.89 H new ATOM 0 HD3 LYS B 53 12.518 -0.617 -3.589 1.00 1.89 H new ATOM 0 HE2 LYS B 53 12.118 -1.431 -5.837 1.00 2.23 H new ATOM 0 HE3 LYS B 53 10.982 -0.122 -5.577 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 12.101 0.072 -7.693 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 12.492 1.383 -6.687 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 13.612 0.127 -6.921 1.00 2.62 H new ATOM 2147 N GLU B 54 14.539 4.381 -3.174 1.00 1.24 N ATOM 2148 CA GLU B 54 14.847 5.540 -3.921 1.00 1.34 C ATOM 2149 C GLU B 54 16.290 5.785 -3.985 1.00 1.32 C ATOM 2150 O GLU B 54 16.753 6.475 -4.918 1.00 1.39 O ATOM 2151 CB GLU B 54 14.160 6.744 -3.268 1.00 1.34 C ATOM 2152 CG GLU B 54 14.740 6.981 -1.870 1.00 1.18 C ATOM 2153 CD GLU B 54 14.078 8.120 -1.240 1.00 1.29 C ATOM 2154 OE1 GLU B 54 12.847 8.094 -1.027 1.00 1.61 O ATOM 2155 OE2 GLU B 54 14.747 9.123 -0.909 1.00 1.87 O ATOM 0 H GLU B 54 14.048 4.552 -2.296 1.00 1.24 H new ATOM 0 HA GLU B 54 14.491 5.392 -4.940 1.00 1.34 H new ATOM 0 HB2 GLU B 54 14.300 7.632 -3.884 1.00 1.34 H new ATOM 0 HB3 GLU B 54 13.086 6.569 -3.201 1.00 1.34 H new ATOM 0 HG2 GLU B 54 14.609 6.089 -1.257 1.00 1.18 H new ATOM 0 HG3 GLU B 54 15.812 7.166 -1.939 1.00 1.18 H new ATOM 2162 N GLN B 55 17.136 5.253 -3.089 1.00 1.24 N ATOM 2163 CA GLN B 55 18.519 5.521 -3.183 1.00 1.27 C ATOM 2164 C GLN B 55 19.172 4.505 -4.000 1.00 1.34 C ATOM 2165 O GLN B 55 20.405 4.575 -4.189 1.00 1.42 O ATOM 2166 CB GLN B 55 19.164 5.531 -1.794 1.00 1.22 C ATOM 2167 CG GLN B 55 18.600 6.671 -0.942 1.00 1.35 C ATOM 2168 CD GLN B 55 18.954 7.954 -1.542 1.00 2.14 C ATOM 2169 OE1 GLN B 55 18.004 8.854 -1.828 1.00 2.60 O flip ATOM 2170 NE2 GLN B 55 20.153 8.216 -1.785 1.00 2.89 N flip ATOM 0 H GLN B 55 16.861 4.648 -2.315 1.00 1.24 H new ATOM 0 HA GLN B 55 18.642 6.501 -3.643 1.00 1.27 H new ATOM 0 HB2 GLN B 55 18.985 4.577 -1.298 1.00 1.22 H new ATOM 0 HB3 GLN B 55 20.244 5.643 -1.890 1.00 1.22 H new ATOM 0 HG2 GLN B 55 17.516 6.580 -0.867 1.00 1.35 H new ATOM 0 HG3 GLN B 55 18.996 6.611 0.072 1.00 1.35 H new ATOM 0 HE21 GLN B 55 20.878 7.533 -1.568 1.00 2.89 H new ATOM 0 HE22 GLN B 55 20.405 9.113 -2.200 1.00 2.89 H new ATOM 2179 N GLN B 56 18.460 3.507 -4.543 1.00 1.34 N ATOM 2180 CA GLN B 56 19.086 2.551 -5.365 1.00 1.42 C ATOM 2181 C GLN B 56 19.539 3.187 -6.600 1.00 1.55 C ATOM 2182 O GLN B 56 20.669 2.915 -7.062 1.00 1.60 O ATOM 2183 CB GLN B 56 18.070 1.459 -5.707 1.00 1.47 C ATOM 2184 CG GLN B 56 18.743 0.373 -6.548 1.00 1.65 C ATOM 2185 CD GLN B 56 19.815 -0.247 -5.776 1.00 1.83 C ATOM 2186 OE1 GLN B 56 19.566 -0.771 -4.669 1.00 2.40 O ATOM 2187 NE2 GLN B 56 21.068 -0.244 -6.251 1.00 2.08 N ATOM 0 H GLN B 56 17.458 3.370 -4.409 1.00 1.34 H new ATOM 0 HA GLN B 56 19.942 2.121 -4.845 1.00 1.42 H new ATOM 0 HB2 GLN B 56 17.666 1.026 -4.792 1.00 1.47 H new ATOM 0 HB3 GLN B 56 17.231 1.888 -6.254 1.00 1.47 H new ATOM 0 HG2 GLN B 56 18.011 -0.379 -6.843 1.00 1.65 H new ATOM 0 HG3 GLN B 56 19.144 0.805 -7.465 1.00 1.65 H new ATOM 0 HE21 GLN B 56 21.270 0.184 -7.155 1.00 2.08 H new ATOM 0 HE22 GLN B 56 21.820 -0.670 -5.709 1.00 2.08 H new ATOM 2196 N ILE B 57 18.746 4.054 -7.248 1.00 1.64 N ATOM 2197 CA ILE B 57 19.196 4.628 -8.454 1.00 1.81 C ATOM 2198 C ILE B 57 19.719 5.981 -8.265 1.00 1.89 C ATOM 2199 O ILE B 57 20.438 6.467 -9.164 1.00 2.07 O ATOM 2200 CB ILE B 57 18.088 4.622 -9.509 1.00 1.88 C ATOM 2201 CG1 ILE B 57 17.520 6.031 -9.690 1.00 2.08 C ATOM 2202 CG2 ILE B 57 16.976 3.677 -9.049 1.00 1.87 C ATOM 2203 CD1 ILE B 57 18.463 6.849 -10.576 1.00 2.66 C ATOM 0 H ILE B 57 17.818 4.346 -6.940 1.00 1.64 H new ATOM 0 HA ILE B 57 20.021 4.010 -8.809 1.00 1.81 H new ATOM 0 HB ILE B 57 18.497 4.286 -10.462 1.00 1.88 H new ATOM 0 HG12 ILE B 57 16.530 5.981 -10.143 1.00 2.08 H new ATOM 0 HG13 ILE B 57 17.403 6.515 -8.720 1.00 2.08 H new ATOM 0 HG21 ILE B 57 16.179 3.663 -9.793 1.00 1.87 H new ATOM 0 HG22 ILE B 57 17.379 2.671 -8.931 1.00 1.87 H new ATOM 0 HG23 ILE B 57 16.576 4.022 -8.095 1.00 1.87 H new ATOM 0 HD11 ILE B 57 18.060 7.853 -10.706 1.00 2.66 H new ATOM 0 HD12 ILE B 57 19.444 6.910 -10.105 1.00 2.66 H new ATOM 0 HD13 ILE B 57 18.557 6.367 -11.549 1.00 2.66 H new ATOM 2215 N GLY B 58 19.443 6.728 -7.183 1.00 1.79 N ATOM 2216 CA GLY B 58 19.956 8.045 -7.149 1.00 1.90 C ATOM 2217 C GLY B 58 18.960 9.055 -6.781 1.00 1.88 C ATOM 2218 O GLY B 58 19.167 10.238 -7.126 1.00 1.99 O ATOM 0 H GLY B 58 18.894 6.435 -6.375 1.00 1.79 H new ATOM 0 HA2 GLY B 58 20.782 8.086 -6.439 1.00 1.90 H new ATOM 0 HA3 GLY B 58 20.366 8.291 -8.129 1.00 1.90 H new ATOM 2222 N TRP B 59 17.858 8.729 -6.085 1.00 1.76 N ATOM 2223 CA TRP B 59 16.909 9.685 -5.634 1.00 1.74 C ATOM 2224 C TRP B 59 16.035 10.227 -6.677 1.00 1.83 C ATOM 2225 O TRP B 59 15.346 11.237 -6.417 1.00 1.90 O ATOM 2226 CB TRP B 59 17.596 10.845 -4.903 1.00 1.80 C ATOM 2227 CG TRP B 59 16.581 11.755 -4.383 1.00 2.05 C ATOM 2228 CD1 TRP B 59 15.781 11.567 -3.259 1.00 2.09 C ATOM 2229 CD2 TRP B 59 16.245 13.001 -4.889 1.00 2.50 C ATOM 2230 NE1 TRP B 59 14.993 12.645 -3.099 1.00 2.57 N ATOM 2231 CE2 TRP B 59 15.261 13.524 -4.077 1.00 2.86 C ATOM 2232 CE3 TRP B 59 16.732 13.691 -5.988 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 14.710 14.771 -4.328 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 16.186 14.946 -6.250 1.00 3.32 C ATOM 2235 CH2 TRP B 59 15.187 15.478 -5.431 1.00 3.70 C ATOM 0 H TRP B 59 17.624 7.769 -5.830 1.00 1.76 H new ATOM 0 HA TRP B 59 16.268 9.126 -4.952 1.00 1.74 H new ATOM 0 HB2 TRP B 59 18.211 10.463 -4.088 1.00 1.80 H new ATOM 0 HB3 TRP B 59 18.262 11.375 -5.583 1.00 1.80 H new ATOM 0 HD1 TRP B 59 15.792 10.697 -2.619 1.00 2.09 H new ATOM 0 HE1 TRP B 59 14.305 12.773 -2.357 1.00 2.57 H new ATOM 0 HE3 TRP B 59 17.504 13.272 -6.616 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 13.939 15.180 -3.692 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 16.540 15.515 -7.097 1.00 3.32 H new ATOM 0 HH2 TRP B 59 14.778 16.452 -5.656 1.00 3.70 H new ATOM 2246 N SER B 60 15.894 9.641 -7.875 1.00 1.88 N ATOM 2247 CA SER B 60 14.944 10.147 -8.793 1.00 1.98 C ATOM 2248 C SER B 60 13.775 9.264 -8.758 1.00 1.92 C ATOM 2249 O SER B 60 12.829 9.428 -9.558 1.00 1.97 O ATOM 2250 CB SER B 60 15.533 10.237 -10.203 1.00 2.09 C ATOM 2251 OG SER B 60 15.882 8.944 -10.666 1.00 2.16 O ATOM 0 H SER B 60 16.428 8.834 -8.198 1.00 1.88 H new ATOM 0 HA SER B 60 14.653 11.160 -8.514 1.00 1.98 H new ATOM 0 HB2 SER B 60 14.810 10.692 -10.880 1.00 2.09 H new ATOM 0 HB3 SER B 60 16.413 10.880 -10.198 1.00 2.09 H new ATOM 0 HG SER B 60 16.256 9.010 -11.569 1.00 2.16 H new ATOM 2257 N HIS B 61 13.760 8.295 -7.828 1.00 1.87 N ATOM 2258 CA HIS B 61 12.715 7.369 -7.587 1.00 1.91 C ATOM 2259 C HIS B 61 11.985 6.817 -8.732 1.00 1.97 C ATOM 2260 O HIS B 61 10.736 6.844 -8.710 1.00 2.60 O ATOM 2261 CB HIS B 61 11.702 7.970 -6.605 1.00 2.75 C ATOM 2262 CG HIS B 61 11.019 9.127 -7.179 1.00 3.15 C ATOM 2263 ND1 HIS B 61 10.000 9.109 -8.123 1.00 4.13 N flip ATOM 2264 CD2 HIS B 61 11.283 10.412 -6.909 1.00 3.11 C flip ATOM 2265 CE1 HIS B 61 9.677 10.382 -8.387 1.00 4.69 C flip ATOM 2266 NE2 HIS B 61 10.462 11.177 -7.645 1.00 4.06 N flip ATOM 0 H HIS B 61 14.548 8.154 -7.196 1.00 1.87 H new ATOM 0 HA HIS B 61 13.255 6.511 -7.188 1.00 1.91 H new ATOM 0 HB2 HIS B 61 10.968 7.213 -6.330 1.00 2.75 H new ATOM 0 HB3 HIS B 61 12.214 8.266 -5.689 1.00 2.75 H new ATOM 0 HD1 HIS B 61 9.576 8.280 -8.538 1.00 4.13 H new ATOM 0 HD2 HIS B 61 12.030 10.771 -6.217 1.00 3.11 H new ATOM 0 HE1 HIS B 61 8.916 10.711 -9.078 1.00 4.69 H new ATOM 2275 N PRO B 62 12.586 6.215 -9.773 1.00 1.93 N ATOM 2276 CA PRO B 62 11.853 5.509 -10.755 1.00 2.45 C ATOM 2277 C PRO B 62 11.641 4.198 -10.218 1.00 2.06 C ATOM 2278 O PRO B 62 12.188 3.243 -10.744 1.00 2.31 O ATOM 2279 CB PRO B 62 12.833 5.423 -11.921 1.00 3.15 C ATOM 2280 CG PRO B 62 14.171 5.300 -11.198 1.00 2.98 C ATOM 2281 CD PRO B 62 14.000 6.174 -9.951 1.00 2.10 C ATOM 0 HA PRO B 62 10.900 5.953 -11.042 1.00 2.45 H new ATOM 0 HB2 PRO B 62 12.633 4.563 -12.560 1.00 3.15 H new ATOM 0 HB3 PRO B 62 12.791 6.308 -12.556 1.00 3.15 H new ATOM 0 HG2 PRO B 62 14.388 4.265 -10.933 1.00 2.98 H new ATOM 0 HG3 PRO B 62 14.995 5.649 -11.820 1.00 2.98 H new ATOM 0 HD2 PRO B 62 14.502 5.743 -9.085 1.00 2.10 H new ATOM 0 HD3 PRO B 62 14.416 7.171 -10.098 1.00 2.10 H new ATOM 2289 N GLN B 63 10.931 4.045 -9.128 1.00 1.69 N ATOM 2290 CA GLN B 63 10.841 2.806 -8.459 1.00 1.51 C ATOM 2291 C GLN B 63 10.045 1.803 -9.167 1.00 1.56 C ATOM 2292 O GLN B 63 10.548 0.689 -9.432 1.00 1.92 O ATOM 2293 CB GLN B 63 10.218 3.088 -7.091 1.00 1.70 C ATOM 2294 CG GLN B 63 11.152 4.007 -6.301 1.00 2.04 C ATOM 2295 CD GLN B 63 10.548 4.327 -5.012 1.00 2.56 C ATOM 2296 OE1 GLN B 63 9.343 3.836 -4.694 1.00 3.20 O flip ATOM 2297 NE2 GLN B 63 11.157 5.062 -4.205 1.00 2.72 N flip ATOM 0 H GLN B 63 10.399 4.797 -8.689 1.00 1.69 H new ATOM 0 HA GLN B 63 11.842 2.381 -8.387 1.00 1.51 H new ATOM 0 HB2 GLN B 63 9.241 3.556 -7.211 1.00 1.70 H new ATOM 0 HB3 GLN B 63 10.060 2.155 -6.549 1.00 1.70 H new ATOM 0 HG2 GLN B 63 12.116 3.521 -6.152 1.00 2.04 H new ATOM 0 HG3 GLN B 63 11.340 4.922 -6.863 1.00 2.04 H new ATOM 0 HE21 GLN B 63 12.075 5.436 -4.448 1.00 2.72 H new ATOM 0 HE22 GLN B 63 10.736 5.288 -3.304 1.00 2.72 H new ATOM 2306 N PHE B 64 8.764 2.047 -9.480 1.00 1.50 N ATOM 2307 CA PHE B 64 7.984 1.061 -10.125 1.00 1.63 C ATOM 2308 C PHE B 64 7.615 1.453 -11.481 1.00 1.91 C ATOM 2309 O PHE B 64 7.906 2.582 -11.932 1.00 2.60 O ATOM 2310 CB PHE B 64 6.720 0.732 -9.326 1.00 1.89 C ATOM 2311 CG PHE B 64 7.071 -0.025 -8.128 1.00 3.00 C ATOM 2312 CD1 PHE B 64 7.736 0.592 -7.078 1.00 3.73 C ATOM 2313 CD2 PHE B 64 6.724 -1.369 -8.033 1.00 3.61 C ATOM 2314 CE1 PHE B 64 8.083 -0.137 -5.948 1.00 4.94 C ATOM 2315 CE2 PHE B 64 7.060 -2.097 -6.898 1.00 4.84 C ATOM 2316 CZ PHE B 64 7.744 -1.482 -5.856 1.00 5.47 C ATOM 0 H PHE B 64 8.277 2.922 -9.286 1.00 1.50 H new ATOM 0 HA PHE B 64 8.608 0.169 -10.183 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.206 1.652 -9.048 1.00 1.89 H new ATOM 0 HB3 PHE B 64 6.030 0.155 -9.942 1.00 1.89 H new ATOM 0 HD1 PHE B 64 7.984 1.641 -7.140 1.00 3.73 H new ATOM 0 HD2 PHE B 64 6.193 -1.847 -8.843 1.00 3.61 H new ATOM 0 HE1 PHE B 64 8.617 0.341 -5.140 1.00 4.94 H new ATOM 0 HE2 PHE B 64 6.790 -3.140 -6.826 1.00 4.84 H new ATOM 0 HZ PHE B 64 8.012 -2.048 -4.976 1.00 5.47 H new ATOM 2326 N GLU B 65 6.980 0.537 -12.225 1.00 2.14 N ATOM 2327 CA GLU B 65 6.564 0.726 -13.562 1.00 2.99 C ATOM 2328 C GLU B 65 5.483 1.702 -13.733 1.00 3.60 C ATOM 2329 O GLU B 65 4.488 1.370 -14.414 1.00 4.49 O ATOM 2330 CB GLU B 65 6.083 -0.632 -14.073 1.00 3.51 C ATOM 2331 CG GLU B 65 4.867 -1.063 -13.249 1.00 3.70 C ATOM 2332 CD GLU B 65 4.559 -2.463 -13.522 1.00 4.67 C ATOM 2333 OE1 GLU B 65 5.390 -3.348 -13.224 1.00 5.30 O ATOM 2334 OE2 GLU B 65 3.462 -2.777 -14.034 1.00 5.13 O ATOM 0 H GLU B 65 6.746 -0.388 -11.865 1.00 2.14 H new ATOM 0 HA GLU B 65 7.413 1.126 -14.117 1.00 2.99 H new ATOM 0 HB2 GLU B 65 5.820 -0.567 -15.129 1.00 3.51 H new ATOM 0 HB3 GLU B 65 6.879 -1.372 -13.987 1.00 3.51 H new ATOM 0 HG2 GLU B 65 5.068 -0.925 -12.187 1.00 3.70 H new ATOM 0 HG3 GLU B 65 4.009 -0.437 -13.495 1.00 3.70 H new ATOM 2341 N LYS B 66 5.504 2.908 -13.145 1.00 3.37 N ATOM 2342 CA LYS B 66 4.444 3.825 -13.319 1.00 4.26 C ATOM 2343 C LYS B 66 4.173 4.021 -14.742 1.00 5.05 C ATOM 2344 O LYS B 66 5.072 4.456 -15.495 1.00 5.15 O ATOM 2345 CB LYS B 66 4.844 5.173 -12.713 1.00 4.08 C ATOM 2346 CG LYS B 66 5.012 5.038 -11.198 1.00 3.92 C ATOM 2347 CD LYS B 66 3.672 4.661 -10.566 1.00 4.31 C ATOM 2348 CE LYS B 66 3.797 4.690 -9.042 1.00 4.82 C ATOM 2349 NZ LYS B 66 4.794 3.708 -8.620 1.00 5.28 N ATOM 2350 OXT LYS B 66 3.041 3.770 -15.208 1.00 5.88 O ATOM 0 H LYS B 66 6.261 3.242 -12.549 1.00 3.37 H new ATOM 0 HA LYS B 66 3.553 3.431 -12.829 1.00 4.26 H new ATOM 0 HB2 LYS B 66 5.775 5.520 -13.161 1.00 4.08 H new ATOM 0 HB3 LYS B 66 4.084 5.922 -12.937 1.00 4.08 H new ATOM 0 HG2 LYS B 66 5.759 4.278 -10.971 1.00 3.92 H new ATOM 0 HG3 LYS B 66 5.373 5.976 -10.777 1.00 3.92 H new ATOM 0 HD2 LYS B 66 2.897 5.356 -10.891 1.00 4.31 H new ATOM 0 HD3 LYS B 66 3.369 3.668 -10.897 1.00 4.31 H new ATOM 0 HE2 LYS B 66 4.087 5.686 -8.708 1.00 4.82 H new ATOM 0 HE3 LYS B 66 2.834 4.468 -8.582 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 4.833 3.677 -7.581 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 4.533 2.770 -8.985 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 5.727 3.978 -8.993 1.00 5.28 H new TER 2364 LYS B 66