USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 767 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 39 HIS : no HD1:sc= -18.7! C(o=-24!,f=-39!) USER MOD Set 1.2: A 57 SER OG : rot -140:sc= -1.78! USER MOD Set 1.3: A 58 THR OG1 : rot -93:sc= -3.78! USER MOD Single : A 25 THR OG1 : rot -44:sc= 0.798 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 32 SER OG : rot 47:sc= 0.566 USER MOD Single : A 36 SER OG : rot -170:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.53! K(o=-3.5!,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0031 USER MOD Single : A 43 GLN : amide:sc= -0.908 K(o=-0.91,f=-0.037) USER MOD Single : A 48 THR OG1 : rot -76:sc= -0.115 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -143:sc= -3.8! USER MOD Single : A 55 SER OG : rot 137:sc= -6.42! USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= -0.135 (180deg=-0.66) USER MOD Single : A 67 SER OG : rot 14:sc= 0.629 USER MOD Single : A 68 THR OG1 : rot 88:sc= -0.448 USER MOD Single : A 69 ASN : amide:sc= -8.47! C(o=-8.5!,f=-8.4!) USER MOD Single : A 70 ASN : amide:sc= -1.03 K(o=-1,f=-0.0078) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0852) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.071 (180deg=-0.463) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.0287 (180deg=-0.236) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0384 (180deg=-0.209) USER MOD Single : A 92 GLN : amide:sc= -10.1! C(o=-10!,f=-18!) USER MOD Single : A 100 TYR OH : rot 100:sc= -5.38! USER MOD Single : A 102 TYR OH : rot 29:sc= -2.19! USER MOD Single : A 103 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.033) USER MOD Single : A 107 LYS NZ :NH3+ 160:sc= -0.0758 (180deg=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -7.802 0.861 3.385 1.00 3.80 N ATOM 2 CA GLY A 24 -8.060 0.887 1.948 1.00 3.88 C ATOM 3 C GLY A 24 -9.313 0.119 1.560 1.00 4.84 C ATOM 4 O GLY A 24 -9.366 -0.530 0.522 1.00 5.34 O ATOM 0 HA2 GLY A 24 -8.158 1.922 1.620 1.00 3.88 H new ATOM 0 HA3 GLY A 24 -7.203 0.465 1.422 1.00 3.88 H new ATOM 8 N THR A 25 -10.306 0.189 2.428 1.00 5.40 N ATOM 9 CA THR A 25 -11.584 -0.489 2.222 1.00 6.53 C ATOM 10 C THR A 25 -12.720 0.430 2.651 1.00 6.79 C ATOM 11 O THR A 25 -13.761 -0.017 3.128 1.00 7.78 O ATOM 12 CB THR A 25 -11.635 -1.796 3.016 1.00 7.48 C ATOM 13 OG1 THR A 25 -12.843 -2.490 2.761 1.00 8.47 O ATOM 14 CG2 THR A 25 -11.532 -1.589 4.511 1.00 7.80 C ATOM 0 H THR A 25 -10.254 0.717 3.299 1.00 5.40 H new ATOM 0 HA THR A 25 -11.691 -0.729 1.164 1.00 6.53 H new ATOM 0 HB THR A 25 -10.771 -2.372 2.684 1.00 7.48 H new ATOM 0 HG1 THR A 25 -13.594 -1.860 2.786 1.00 8.47 H new ATOM 0 HG21 THR A 25 -11.574 -2.554 5.016 1.00 7.80 H new ATOM 0 HG22 THR A 25 -10.588 -1.098 4.746 1.00 7.80 H new ATOM 0 HG23 THR A 25 -12.359 -0.966 4.850 1.00 7.80 H new ATOM 22 N THR A 26 -12.479 1.725 2.481 1.00 6.02 N ATOM 23 CA THR A 26 -13.420 2.777 2.837 1.00 6.31 C ATOM 24 C THR A 26 -12.676 4.104 2.874 1.00 5.39 C ATOM 25 O THR A 26 -13.229 5.157 2.556 1.00 5.53 O ATOM 26 CB THR A 26 -14.081 2.504 4.193 1.00 7.29 C ATOM 27 OG1 THR A 26 -13.247 1.703 5.011 1.00 8.15 O ATOM 28 CG2 THR A 26 -15.427 1.817 4.083 1.00 7.65 C ATOM 0 H THR A 26 -11.608 2.078 2.085 1.00 6.02 H new ATOM 0 HA THR A 26 -14.213 2.809 2.089 1.00 6.31 H new ATOM 0 HB THR A 26 -14.235 3.487 4.637 1.00 7.29 H new ATOM 0 HG1 THR A 26 -13.689 1.543 5.871 1.00 8.15 H new ATOM 0 HG21 THR A 26 -15.836 1.655 5.081 1.00 7.65 H new ATOM 0 HG22 THR A 26 -16.109 2.443 3.508 1.00 7.65 H new ATOM 0 HG23 THR A 26 -15.306 0.857 3.581 1.00 7.65 H new ATOM 36 N GLU A 27 -11.398 4.028 3.248 1.00 4.70 N ATOM 37 CA GLU A 27 -10.541 5.199 3.311 1.00 4.20 C ATOM 38 C GLU A 27 -10.050 5.562 1.909 1.00 3.58 C ATOM 39 O GLU A 27 -10.544 6.499 1.283 1.00 4.09 O ATOM 40 CB GLU A 27 -9.356 4.924 4.243 1.00 4.98 C ATOM 41 CG GLU A 27 -8.197 5.896 4.097 1.00 5.26 C ATOM 42 CD GLU A 27 -8.609 7.333 4.355 1.00 5.33 C ATOM 43 OE1 GLU A 27 -9.264 7.930 3.476 1.00 5.00 O ATOM 44 OE2 GLU A 27 -8.278 7.860 5.439 1.00 5.98 O ATOM 0 H GLU A 27 -10.936 3.158 3.513 1.00 4.70 H new ATOM 0 HA GLU A 27 -11.109 6.041 3.707 1.00 4.20 H new ATOM 0 HB2 GLU A 27 -9.708 4.951 5.274 1.00 4.98 H new ATOM 0 HB3 GLU A 27 -8.991 3.914 4.057 1.00 4.98 H new ATOM 0 HG2 GLU A 27 -7.404 5.618 4.792 1.00 5.26 H new ATOM 0 HG3 GLU A 27 -7.783 5.815 3.092 1.00 5.26 H new ATOM 51 N ARG A 28 -9.081 4.791 1.429 1.00 2.88 N ATOM 52 CA ARG A 28 -8.505 4.985 0.103 1.00 2.50 C ATOM 53 C ARG A 28 -7.777 3.712 -0.319 1.00 2.12 C ATOM 54 O ARG A 28 -6.572 3.577 -0.105 1.00 2.47 O ATOM 55 CB ARG A 28 -7.545 6.177 0.098 1.00 3.36 C ATOM 56 CG ARG A 28 -8.219 7.502 0.415 1.00 4.15 C ATOM 57 CD ARG A 28 -7.270 8.674 0.230 1.00 5.14 C ATOM 58 NE ARG A 28 -6.145 8.625 1.159 1.00 5.84 N ATOM 59 CZ ARG A 28 -5.299 9.634 1.342 1.00 6.72 C ATOM 60 NH1 ARG A 28 -5.449 10.759 0.656 1.00 7.03 N ATOM 61 NH2 ARG A 28 -4.302 9.519 2.210 1.00 7.48 N ATOM 0 H ARG A 28 -8.672 4.014 1.948 1.00 2.88 H new ATOM 0 HA ARG A 28 -9.305 5.197 -0.606 1.00 2.50 H new ATOM 0 HB2 ARG A 28 -6.753 5.998 0.826 1.00 3.36 H new ATOM 0 HB3 ARG A 28 -7.069 6.246 -0.880 1.00 3.36 H new ATOM 0 HG2 ARG A 28 -9.088 7.632 -0.230 1.00 4.15 H new ATOM 0 HG3 ARG A 28 -8.584 7.488 1.442 1.00 4.15 H new ATOM 0 HD2 ARG A 28 -6.894 8.677 -0.793 1.00 5.14 H new ATOM 0 HD3 ARG A 28 -7.816 9.607 0.372 1.00 5.14 H new ATOM 0 HE ARG A 28 -6.000 7.770 1.697 1.00 5.84 H new ATOM 0 HH11 ARG A 28 -6.214 10.851 -0.013 1.00 7.03 H new ATOM 0 HH12 ARG A 28 -4.800 11.533 0.797 1.00 7.03 H new ATOM 0 HH21 ARG A 28 -4.183 8.655 2.739 1.00 7.48 H new ATOM 0 HH22 ARG A 28 -3.654 10.295 2.348 1.00 7.48 H new ATOM 75 N PRO A 29 -8.512 2.744 -0.897 1.00 1.75 N ATOM 76 CA PRO A 29 -7.934 1.456 -1.313 1.00 1.73 C ATOM 77 C PRO A 29 -6.876 1.602 -2.408 1.00 1.12 C ATOM 78 O PRO A 29 -7.211 1.845 -3.567 1.00 0.97 O ATOM 79 CB PRO A 29 -9.151 0.699 -1.875 1.00 2.28 C ATOM 80 CG PRO A 29 -10.351 1.385 -1.316 1.00 2.24 C ATOM 81 CD PRO A 29 -9.961 2.820 -1.155 1.00 1.93 C ATOM 0 HA PRO A 29 -7.425 0.960 -0.486 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -9.158 0.725 -2.965 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -9.128 -0.350 -1.581 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -11.206 1.285 -1.985 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -10.641 0.949 -0.360 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.181 3.401 -2.051 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -10.493 3.293 -0.330 1.00 1.93 H new ATOM 89 N ARG A 30 -5.599 1.421 -2.048 1.00 1.14 N ATOM 90 CA ARG A 30 -4.521 1.503 -3.032 1.00 0.83 C ATOM 91 C ARG A 30 -3.146 1.318 -2.389 1.00 0.77 C ATOM 92 O ARG A 30 -2.997 1.454 -1.183 1.00 1.19 O ATOM 93 CB ARG A 30 -4.571 2.833 -3.786 1.00 1.44 C ATOM 94 CG ARG A 30 -4.560 4.054 -2.885 1.00 2.12 C ATOM 95 CD ARG A 30 -4.895 5.310 -3.672 1.00 2.57 C ATOM 96 NE ARG A 30 -4.840 6.512 -2.845 1.00 3.02 N ATOM 97 CZ ARG A 30 -5.254 7.707 -3.256 1.00 3.70 C ATOM 98 NH1 ARG A 30 -5.754 7.854 -4.475 1.00 4.01 N ATOM 99 NH2 ARG A 30 -5.168 8.756 -2.450 1.00 4.42 N ATOM 0 H ARG A 30 -5.293 1.220 -1.096 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.673 0.688 -3.739 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -3.719 2.887 -4.464 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -5.470 2.856 -4.401 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -5.281 3.922 -2.078 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -3.579 4.161 -2.422 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -4.198 5.412 -4.504 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -5.892 5.212 -4.101 1.00 2.57 H new ATOM 0 HE ARG A 30 -4.464 6.431 -1.901 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -5.822 7.050 -5.099 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -6.071 8.771 -4.789 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -4.783 8.648 -1.512 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -5.486 9.671 -2.768 1.00 4.42 H new ATOM 113 N LEU A 31 -2.123 1.071 -3.198 1.00 0.67 N ATOM 114 CA LEU A 31 -0.775 0.956 -2.665 1.00 0.66 C ATOM 115 C LEU A 31 -0.336 2.326 -2.167 1.00 0.79 C ATOM 116 O LEU A 31 -0.593 3.337 -2.814 1.00 1.21 O ATOM 117 CB LEU A 31 0.192 0.405 -3.724 1.00 0.92 C ATOM 118 CG LEU A 31 1.636 0.923 -3.705 1.00 0.91 C ATOM 119 CD1 LEU A 31 2.351 0.500 -2.434 1.00 1.49 C ATOM 120 CD2 LEU A 31 2.376 0.422 -4.936 1.00 1.39 C ATOM 0 H LEU A 31 -2.199 0.949 -4.208 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.764 0.250 -1.835 1.00 0.66 H new ATOM 0 HB2 LEU A 31 0.223 -0.680 -3.619 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.229 0.618 -4.707 1.00 0.92 H new ATOM 0 HG LEU A 31 1.617 2.013 -3.723 1.00 0.91 H new ATOM 0 HD11 LEU A 31 3.372 0.881 -2.447 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.825 0.903 -1.569 1.00 1.49 H new ATOM 0 HD13 LEU A 31 2.370 -0.588 -2.372 1.00 1.49 H new ATOM 0 HD21 LEU A 31 3.401 0.792 -4.920 1.00 1.39 H new ATOM 0 HD22 LEU A 31 2.383 -0.668 -4.938 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.875 0.783 -5.834 1.00 1.39 H new ATOM 132 N SER A 32 0.295 2.359 -1.011 1.00 0.65 N ATOM 133 CA SER A 32 0.736 3.617 -0.434 1.00 0.88 C ATOM 134 C SER A 32 2.246 3.662 -0.275 1.00 0.67 C ATOM 135 O SER A 32 2.823 2.915 0.514 1.00 1.05 O ATOM 136 CB SER A 32 0.062 3.843 0.916 1.00 1.42 C ATOM 137 OG SER A 32 -0.177 2.617 1.585 1.00 1.57 O ATOM 0 H SER A 32 0.514 1.534 -0.453 1.00 0.65 H new ATOM 0 HA SER A 32 0.448 4.414 -1.120 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.691 4.481 1.536 1.00 1.42 H new ATOM 0 HB3 SER A 32 -0.881 4.370 0.770 1.00 1.42 H new ATOM 0 HG SER A 32 0.630 2.062 1.548 1.00 1.57 H new ATOM 143 N VAL A 33 2.879 4.558 -1.022 1.00 0.65 N ATOM 144 CA VAL A 33 4.321 4.719 -0.956 1.00 0.78 C ATOM 145 C VAL A 33 4.678 6.020 -0.254 1.00 0.74 C ATOM 146 O VAL A 33 4.509 7.104 -0.811 1.00 1.28 O ATOM 147 CB VAL A 33 4.959 4.713 -2.359 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.685 3.394 -3.064 1.00 2.53 C ATOM 149 CG2 VAL A 33 4.453 5.884 -3.187 1.00 2.05 C ATOM 0 H VAL A 33 2.414 5.183 -1.680 1.00 0.65 H new ATOM 0 HA VAL A 33 4.714 3.873 -0.392 1.00 0.78 H new ATOM 0 HB VAL A 33 6.038 4.822 -2.245 1.00 1.59 H new ATOM 0 HG11 VAL A 33 5.143 3.408 -4.053 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.106 2.575 -2.481 1.00 2.53 H new ATOM 0 HG13 VAL A 33 3.609 3.252 -3.164 1.00 2.53 H new ATOM 0 HG21 VAL A 33 4.917 5.860 -4.173 1.00 2.05 H new ATOM 0 HG22 VAL A 33 3.370 5.814 -3.293 1.00 2.05 H new ATOM 0 HG23 VAL A 33 4.709 6.819 -2.689 1.00 2.05 H new ATOM 159 N PHE A 34 5.180 5.909 0.969 1.00 0.53 N ATOM 160 CA PHE A 34 5.563 7.089 1.732 1.00 0.78 C ATOM 161 C PHE A 34 6.952 6.929 2.307 1.00 0.52 C ATOM 162 O PHE A 34 7.476 5.821 2.389 1.00 0.90 O ATOM 163 CB PHE A 34 4.581 7.365 2.867 1.00 1.43 C ATOM 164 CG PHE A 34 4.033 6.130 3.509 1.00 1.74 C ATOM 165 CD1 PHE A 34 3.033 5.409 2.888 1.00 1.73 C ATOM 166 CD2 PHE A 34 4.508 5.700 4.735 1.00 2.51 C ATOM 167 CE1 PHE A 34 2.511 4.274 3.478 1.00 2.58 C ATOM 168 CE2 PHE A 34 3.995 4.565 5.331 1.00 3.37 C ATOM 169 CZ PHE A 34 2.993 3.851 4.702 1.00 3.43 C ATOM 0 H PHE A 34 5.330 5.022 1.450 1.00 0.53 H new ATOM 0 HA PHE A 34 5.549 7.933 1.043 1.00 0.78 H new ATOM 0 HB2 PHE A 34 5.079 7.967 3.627 1.00 1.43 H new ATOM 0 HB3 PHE A 34 3.753 7.960 2.481 1.00 1.43 H new ATOM 0 HD1 PHE A 34 2.655 5.736 1.931 1.00 1.73 H new ATOM 0 HD2 PHE A 34 5.288 6.258 5.231 1.00 2.51 H new ATOM 0 HE1 PHE A 34 1.728 3.719 2.984 1.00 2.58 H new ATOM 0 HE2 PHE A 34 4.376 4.236 6.287 1.00 3.37 H new ATOM 0 HZ PHE A 34 2.587 2.964 5.166 1.00 3.43 H new ATOM 179 N ARG A 35 7.539 8.039 2.719 1.00 0.77 N ATOM 180 CA ARG A 35 8.863 8.005 3.301 1.00 0.81 C ATOM 181 C ARG A 35 8.774 8.138 4.808 1.00 0.85 C ATOM 182 O ARG A 35 8.445 9.200 5.334 1.00 1.32 O ATOM 183 CB ARG A 35 9.741 9.119 2.729 1.00 1.41 C ATOM 184 CG ARG A 35 9.449 9.438 1.272 1.00 2.08 C ATOM 185 CD ARG A 35 10.459 10.423 0.705 1.00 2.72 C ATOM 186 NE ARG A 35 10.691 11.550 1.607 1.00 3.21 N ATOM 187 CZ ARG A 35 11.639 11.579 2.544 1.00 3.85 C ATOM 188 NH1 ARG A 35 12.448 10.540 2.721 1.00 4.13 N ATOM 189 NH2 ARG A 35 11.776 12.652 3.311 1.00 4.60 N ATOM 0 H ARG A 35 7.121 8.968 2.661 1.00 0.77 H new ATOM 0 HA ARG A 35 9.319 7.047 3.052 1.00 0.81 H new ATOM 0 HB2 ARG A 35 9.602 10.021 3.324 1.00 1.41 H new ATOM 0 HB3 ARG A 35 10.788 8.831 2.826 1.00 1.41 H new ATOM 0 HG2 ARG A 35 9.467 8.519 0.686 1.00 2.08 H new ATOM 0 HG3 ARG A 35 8.445 9.853 1.183 1.00 2.08 H new ATOM 0 HD2 ARG A 35 11.402 9.908 0.518 1.00 2.72 H new ATOM 0 HD3 ARG A 35 10.103 10.795 -0.256 1.00 2.72 H new ATOM 0 HE ARG A 35 10.088 12.367 1.513 1.00 3.21 H new ATOM 0 HH11 ARG A 35 12.347 9.710 2.137 1.00 4.13 H new ATOM 0 HH12 ARG A 35 13.170 10.573 3.441 1.00 4.13 H new ATOM 0 HH21 ARG A 35 11.157 13.453 3.183 1.00 4.60 H new ATOM 0 HH22 ARG A 35 12.500 12.677 4.029 1.00 4.60 H new ATOM 203 N SER A 36 9.084 7.053 5.499 1.00 0.55 N ATOM 204 CA SER A 36 9.050 7.058 6.944 1.00 0.74 C ATOM 205 C SER A 36 10.240 7.838 7.476 1.00 0.79 C ATOM 206 O SER A 36 11.104 8.266 6.712 1.00 1.07 O ATOM 207 CB SER A 36 9.079 5.630 7.489 1.00 0.84 C ATOM 208 OG SER A 36 7.825 5.267 8.040 1.00 1.50 O ATOM 0 H SER A 36 9.360 6.164 5.081 1.00 0.55 H new ATOM 0 HA SER A 36 8.125 7.533 7.272 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.342 4.938 6.689 1.00 0.84 H new ATOM 0 HB3 SER A 36 9.853 5.545 8.252 1.00 0.84 H new ATOM 0 HG SER A 36 7.912 4.417 8.520 1.00 1.50 H new ATOM 214 N ASN A 37 10.278 8.032 8.780 1.00 1.08 N ATOM 215 CA ASN A 37 11.367 8.777 9.392 1.00 1.18 C ATOM 216 C ASN A 37 12.729 8.171 9.056 1.00 1.17 C ATOM 217 O ASN A 37 13.184 7.255 9.738 1.00 1.97 O ATOM 218 CB ASN A 37 11.191 8.852 10.913 1.00 1.30 C ATOM 219 CG ASN A 37 10.580 7.596 11.516 1.00 1.89 C ATOM 220 OD1 ASN A 37 9.901 7.661 12.540 1.00 2.57 O ATOM 221 ND2 ASN A 37 10.814 6.448 10.889 1.00 2.42 N ATOM 0 H ASN A 37 9.575 7.688 9.434 1.00 1.08 H new ATOM 0 HA ASN A 37 11.334 9.785 8.980 1.00 1.18 H new ATOM 0 HB2 ASN A 37 12.162 9.032 11.375 1.00 1.30 H new ATOM 0 HB3 ASN A 37 10.559 9.706 11.156 1.00 1.30 H new ATOM 0 HD21 ASN A 37 10.425 5.579 11.255 1.00 2.42 H new ATOM 0 HD22 ASN A 37 11.382 6.436 10.042 1.00 2.42 H new ATOM 228 N LYS A 38 13.381 8.729 8.023 1.00 0.96 N ATOM 229 CA LYS A 38 14.728 8.313 7.584 1.00 0.85 C ATOM 230 C LYS A 38 14.738 7.239 6.488 1.00 0.75 C ATOM 231 O LYS A 38 15.785 6.647 6.230 1.00 1.11 O ATOM 232 CB LYS A 38 15.580 7.824 8.761 1.00 0.86 C ATOM 233 CG LYS A 38 15.657 8.813 9.915 1.00 1.05 C ATOM 234 CD LYS A 38 16.382 8.219 11.112 1.00 1.75 C ATOM 235 CE LYS A 38 16.421 9.192 12.279 1.00 2.20 C ATOM 236 NZ LYS A 38 17.096 8.604 13.471 1.00 2.60 N ATOM 0 H LYS A 38 12.988 9.486 7.464 1.00 0.96 H new ATOM 0 HA LYS A 38 15.158 9.218 7.153 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.170 6.883 9.128 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.589 7.615 8.405 1.00 0.86 H new ATOM 0 HG2 LYS A 38 16.173 9.716 9.588 1.00 1.05 H new ATOM 0 HG3 LYS A 38 14.650 9.110 10.209 1.00 1.05 H new ATOM 0 HD2 LYS A 38 15.885 7.299 11.420 1.00 1.75 H new ATOM 0 HD3 LYS A 38 17.399 7.951 10.826 1.00 1.75 H new ATOM 0 HE2 LYS A 38 16.943 10.100 11.977 1.00 2.20 H new ATOM 0 HE3 LYS A 38 15.404 9.482 12.544 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 17.102 9.299 14.245 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 16.583 7.752 13.775 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 18.074 8.351 13.226 1.00 2.60 H new ATOM 250 N HIS A 39 13.611 6.984 5.829 1.00 0.56 N ATOM 251 CA HIS A 39 13.597 5.972 4.769 1.00 0.60 C ATOM 252 C HIS A 39 12.265 5.896 4.045 1.00 0.52 C ATOM 253 O HIS A 39 11.280 6.495 4.463 1.00 0.67 O ATOM 254 CB HIS A 39 13.975 4.597 5.301 1.00 0.80 C ATOM 255 CG HIS A 39 12.935 3.910 6.105 1.00 1.26 C ATOM 256 ND1 HIS A 39 13.204 2.750 6.784 1.00 1.26 N ATOM 257 CD2 HIS A 39 11.636 4.199 6.347 1.00 1.99 C ATOM 258 CE1 HIS A 39 12.113 2.350 7.408 1.00 1.96 C ATOM 259 NE2 HIS A 39 11.148 3.212 7.157 1.00 2.40 N ATOM 0 H HIS A 39 12.718 7.447 6.000 1.00 0.56 H new ATOM 0 HA HIS A 39 14.348 6.291 4.047 1.00 0.60 H new ATOM 0 HB2 HIS A 39 14.235 3.960 4.456 1.00 0.80 H new ATOM 0 HB3 HIS A 39 14.872 4.698 5.912 1.00 0.80 H new ATOM 0 HD2 HIS A 39 11.087 5.050 5.971 1.00 1.99 H new ATOM 0 HE1 HIS A 39 12.025 1.465 8.021 1.00 1.96 H new ATOM 0 HE2 HIS A 39 10.193 3.152 7.510 1.00 2.40 H new ATOM 268 N ILE A 40 12.253 5.159 2.942 1.00 0.50 N ATOM 269 CA ILE A 40 11.045 4.991 2.152 1.00 0.51 C ATOM 270 C ILE A 40 10.260 3.769 2.611 1.00 0.46 C ATOM 271 O ILE A 40 10.654 2.635 2.339 1.00 0.68 O ATOM 272 CB ILE A 40 11.359 4.833 0.658 1.00 0.60 C ATOM 273 CG1 ILE A 40 12.262 5.969 0.177 1.00 1.21 C ATOM 274 CG2 ILE A 40 10.068 4.789 -0.142 1.00 1.29 C ATOM 275 CD1 ILE A 40 11.659 7.346 0.346 1.00 2.23 C ATOM 0 H ILE A 40 13.069 4.668 2.575 1.00 0.50 H new ATOM 0 HA ILE A 40 10.451 5.893 2.299 1.00 0.51 H new ATOM 0 HB ILE A 40 11.892 3.894 0.506 1.00 0.60 H new ATOM 0 HG12 ILE A 40 13.204 5.927 0.723 1.00 1.21 H new ATOM 0 HG13 ILE A 40 12.496 5.813 -0.876 1.00 1.21 H new ATOM 0 HG21 ILE A 40 10.300 4.677 -1.201 1.00 1.29 H new ATOM 0 HG22 ILE A 40 9.464 3.944 0.189 1.00 1.29 H new ATOM 0 HG23 ILE A 40 9.513 5.714 0.012 1.00 1.29 H new ATOM 0 HD11 ILE A 40 12.360 8.097 -0.018 1.00 2.23 H new ATOM 0 HD12 ILE A 40 10.731 7.409 -0.223 1.00 2.23 H new ATOM 0 HD13 ILE A 40 11.451 7.525 1.401 1.00 2.23 H new ATOM 287 N TYR A 41 9.147 3.995 3.305 1.00 0.36 N ATOM 288 CA TYR A 41 8.329 2.898 3.780 1.00 0.31 C ATOM 289 C TYR A 41 7.374 2.419 2.712 1.00 0.36 C ATOM 290 O TYR A 41 6.623 3.205 2.125 1.00 0.46 O ATOM 291 CB TYR A 41 7.520 3.281 5.009 1.00 0.31 C ATOM 292 CG TYR A 41 7.202 2.068 5.835 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.372 1.076 5.342 1.00 0.30 C ATOM 294 CD2 TYR A 41 7.670 1.950 7.141 1.00 0.48 C ATOM 295 CE1 TYR A 41 6.021 -0.008 6.118 1.00 0.38 C ATOM 296 CE2 TYR A 41 7.328 0.864 7.919 1.00 0.57 C ATOM 297 CZ TYR A 41 6.727 -0.232 7.316 1.00 0.53 C ATOM 298 OH TYR A 41 6.154 -1.193 8.181 1.00 0.63 O ATOM 0 H TYR A 41 8.798 4.923 3.546 1.00 0.36 H new ATOM 0 HA TYR A 41 9.022 2.098 4.042 1.00 0.31 H new ATOM 0 HB2 TYR A 41 8.079 3.999 5.609 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.596 3.772 4.704 1.00 0.31 H new ATOM 0 HD1 TYR A 41 5.993 1.152 4.333 1.00 0.30 H new ATOM 0 HD2 TYR A 41 8.309 2.719 7.550 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.223 -0.670 5.814 1.00 0.38 H new ATOM 0 HE2 TYR A 41 7.525 0.866 8.981 1.00 0.57 H new ATOM 0 HH TYR A 41 6.709 -1.283 8.983 1.00 0.63 H new ATOM 308 N ALA A 42 7.390 1.119 2.489 1.00 0.47 N ATOM 309 CA ALA A 42 6.502 0.516 1.516 1.00 0.60 C ATOM 310 C ALA A 42 5.255 0.018 2.220 1.00 0.48 C ATOM 311 O ALA A 42 5.357 -0.631 3.256 1.00 0.57 O ATOM 312 CB ALA A 42 7.196 -0.621 0.782 1.00 0.92 C ATOM 0 H ALA A 42 8.007 0.462 2.967 1.00 0.47 H new ATOM 0 HA ALA A 42 6.222 1.265 0.775 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.510 -1.058 0.057 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.075 -0.237 0.264 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.501 -1.384 1.498 1.00 0.92 H new ATOM 318 N GLN A 43 4.083 0.338 1.675 1.00 0.45 N ATOM 319 CA GLN A 43 2.826 -0.074 2.283 1.00 0.39 C ATOM 320 C GLN A 43 1.730 -0.239 1.236 1.00 0.40 C ATOM 321 O GLN A 43 1.140 0.744 0.810 1.00 0.51 O ATOM 322 CB GLN A 43 2.397 0.953 3.326 1.00 0.39 C ATOM 323 CG GLN A 43 1.009 0.709 3.900 1.00 0.99 C ATOM 324 CD GLN A 43 0.850 -0.672 4.513 1.00 1.33 C ATOM 325 OE1 GLN A 43 -0.236 -1.251 4.487 1.00 2.05 O ATOM 326 NE2 GLN A 43 1.928 -1.208 5.080 1.00 1.85 N ATOM 0 H GLN A 43 3.981 0.879 0.817 1.00 0.45 H new ATOM 0 HA GLN A 43 2.982 -1.041 2.762 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.121 0.953 4.141 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.424 1.946 2.876 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.799 1.463 4.659 1.00 0.99 H new ATOM 0 HG3 GLN A 43 0.269 0.837 3.110 1.00 0.99 H new ATOM 0 HE21 GLN A 43 2.811 -0.697 5.081 1.00 1.85 H new ATOM 0 HE22 GLN A 43 1.871 -2.130 5.513 1.00 1.85 H new ATOM 335 N ILE A 44 1.445 -1.477 0.819 1.00 0.43 N ATOM 336 CA ILE A 44 0.404 -1.697 -0.181 1.00 0.45 C ATOM 337 C ILE A 44 -0.911 -2.097 0.468 1.00 0.48 C ATOM 338 O ILE A 44 -1.034 -3.204 1.000 1.00 0.60 O ATOM 339 CB ILE A 44 0.781 -2.790 -1.215 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.236 -2.635 -1.662 1.00 0.65 C ATOM 341 CG2 ILE A 44 -0.158 -2.738 -2.431 1.00 0.51 C ATOM 342 CD1 ILE A 44 2.852 -3.923 -2.161 1.00 0.86 C ATOM 0 H ILE A 44 1.910 -2.322 1.151 1.00 0.43 H new ATOM 0 HA ILE A 44 0.298 -0.744 -0.700 1.00 0.45 H new ATOM 0 HB ILE A 44 0.669 -3.761 -0.733 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.288 -1.886 -2.452 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.827 -2.258 -0.827 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.125 -3.513 -3.143 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -1.185 -2.902 -2.105 1.00 0.51 H new ATOM 0 HG23 ILE A 44 -0.081 -1.761 -2.909 1.00 0.51 H new ATOM 0 HD11 ILE A 44 3.884 -3.740 -2.461 1.00 0.86 H new ATOM 0 HD12 ILE A 44 2.832 -4.668 -1.366 1.00 0.86 H new ATOM 0 HD13 ILE A 44 2.285 -4.290 -3.016 1.00 0.86 H new ATOM 354 N ILE A 45 -1.906 -1.214 0.389 1.00 0.52 N ATOM 355 CA ILE A 45 -3.219 -1.522 0.930 1.00 0.56 C ATOM 356 C ILE A 45 -4.163 -1.768 -0.238 1.00 0.54 C ATOM 357 O ILE A 45 -4.129 -1.052 -1.243 1.00 0.63 O ATOM 358 CB ILE A 45 -3.760 -0.432 1.888 1.00 0.69 C ATOM 359 CG1 ILE A 45 -5.218 -0.713 2.251 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.608 0.963 1.307 1.00 0.82 C ATOM 361 CD1 ILE A 45 -5.393 -1.952 3.098 1.00 1.19 C ATOM 0 H ILE A 45 -1.825 -0.292 -0.040 1.00 0.52 H new ATOM 0 HA ILE A 45 -3.141 -2.416 1.548 1.00 0.56 H new ATOM 0 HB ILE A 45 -3.160 -0.469 2.797 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.624 0.145 2.786 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.799 -0.822 1.335 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -4.000 1.696 2.012 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.553 1.167 1.121 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -4.161 1.029 0.370 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -6.451 -2.094 3.320 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -5.016 -2.819 2.556 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -4.839 -1.837 4.029 1.00 1.19 H new ATOM 373 N ASP A 46 -4.947 -2.832 -0.133 1.00 0.53 N ATOM 374 CA ASP A 46 -5.821 -3.245 -1.222 1.00 0.59 C ATOM 375 C ASP A 46 -6.594 -2.107 -1.854 1.00 0.59 C ATOM 376 O ASP A 46 -6.833 -1.065 -1.242 1.00 0.62 O ATOM 377 CB ASP A 46 -6.826 -4.275 -0.751 1.00 0.68 C ATOM 378 CG ASP A 46 -7.495 -3.886 0.553 1.00 0.66 C ATOM 379 OD1 ASP A 46 -7.834 -2.695 0.714 1.00 0.74 O ATOM 380 OD2 ASP A 46 -7.686 -4.774 1.410 1.00 0.89 O ATOM 0 H ASP A 46 -4.996 -3.425 0.695 1.00 0.53 H new ATOM 0 HA ASP A 46 -5.149 -3.661 -1.973 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.588 -4.411 -1.519 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -6.325 -5.235 -0.625 1.00 0.68 H new ATOM 385 N ASP A 47 -6.986 -2.344 -3.106 1.00 0.86 N ATOM 386 CA ASP A 47 -7.742 -1.381 -3.877 1.00 0.96 C ATOM 387 C ASP A 47 -9.212 -1.815 -3.992 1.00 1.01 C ATOM 388 O ASP A 47 -9.963 -1.712 -3.023 1.00 0.96 O ATOM 389 CB ASP A 47 -7.100 -1.184 -5.255 1.00 1.17 C ATOM 390 CG ASP A 47 -7.875 -0.206 -6.117 1.00 1.66 C ATOM 391 OD1 ASP A 47 -7.688 1.016 -5.943 1.00 2.45 O ATOM 392 OD2 ASP A 47 -8.671 -0.663 -6.964 1.00 1.96 O ATOM 0 H ASP A 47 -6.784 -3.210 -3.606 1.00 0.86 H new ATOM 0 HA ASP A 47 -7.724 -0.421 -3.361 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -6.079 -0.824 -5.129 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -7.039 -2.145 -5.765 1.00 1.17 H new ATOM 397 N THR A 48 -9.630 -2.306 -5.163 1.00 1.33 N ATOM 398 CA THR A 48 -11.009 -2.744 -5.352 1.00 1.52 C ATOM 399 C THR A 48 -11.147 -4.258 -5.205 1.00 1.57 C ATOM 400 O THR A 48 -12.218 -4.760 -4.864 1.00 1.64 O ATOM 401 CB THR A 48 -11.528 -2.304 -6.722 1.00 1.97 C ATOM 402 OG1 THR A 48 -10.693 -2.791 -7.757 1.00 2.28 O ATOM 403 CG2 THR A 48 -11.618 -0.801 -6.873 1.00 2.12 C ATOM 0 H THR A 48 -9.036 -2.408 -5.986 1.00 1.33 H new ATOM 0 HA THR A 48 -11.609 -2.274 -4.572 1.00 1.52 H new ATOM 0 HB THR A 48 -12.532 -2.722 -6.797 1.00 1.97 H new ATOM 0 HG1 THR A 48 -9.871 -2.258 -7.793 1.00 2.28 H new ATOM 0 HG21 THR A 48 -11.993 -0.557 -7.867 1.00 2.12 H new ATOM 0 HG22 THR A 48 -12.297 -0.400 -6.121 1.00 2.12 H new ATOM 0 HG23 THR A 48 -10.629 -0.362 -6.740 1.00 2.12 H new ATOM 411 N LYS A 49 -10.067 -4.985 -5.482 1.00 1.64 N ATOM 412 CA LYS A 49 -10.090 -6.445 -5.394 1.00 1.82 C ATOM 413 C LYS A 49 -9.243 -6.966 -4.235 1.00 2.06 C ATOM 414 O LYS A 49 -8.513 -7.947 -4.376 1.00 2.71 O ATOM 415 CB LYS A 49 -9.625 -7.072 -6.712 1.00 2.07 C ATOM 416 CG LYS A 49 -10.505 -6.715 -7.899 1.00 2.73 C ATOM 417 CD LYS A 49 -11.963 -7.059 -7.635 1.00 3.33 C ATOM 418 CE LYS A 49 -12.132 -8.523 -7.263 1.00 3.64 C ATOM 419 NZ LYS A 49 -13.559 -8.872 -7.017 1.00 4.26 N ATOM 0 H LYS A 49 -9.170 -4.591 -5.767 1.00 1.64 H new ATOM 0 HA LYS A 49 -11.123 -6.738 -5.203 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -8.604 -6.750 -6.917 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -9.601 -8.156 -6.601 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -10.414 -5.650 -8.113 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -10.158 -7.249 -8.784 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -12.346 -6.432 -6.830 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -12.557 -6.837 -8.522 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -11.738 -9.149 -8.064 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -11.546 -8.741 -6.370 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -13.632 -9.879 -6.766 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -13.928 -8.293 -6.236 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -14.114 -8.688 -7.877 1.00 4.26 H new ATOM 433 N SER A 50 -9.374 -6.321 -3.086 1.00 1.82 N ATOM 434 CA SER A 50 -8.657 -6.723 -1.880 1.00 2.14 C ATOM 435 C SER A 50 -7.187 -7.069 -2.140 1.00 1.89 C ATOM 436 O SER A 50 -6.730 -8.151 -1.769 1.00 2.60 O ATOM 437 CB SER A 50 -9.356 -7.922 -1.237 1.00 2.65 C ATOM 438 OG SER A 50 -10.721 -7.639 -0.979 1.00 3.31 O ATOM 0 H SER A 50 -9.977 -5.508 -2.961 1.00 1.82 H new ATOM 0 HA SER A 50 -8.670 -5.865 -1.208 1.00 2.14 H new ATOM 0 HB2 SER A 50 -9.279 -8.788 -1.895 1.00 2.65 H new ATOM 0 HB3 SER A 50 -8.853 -8.184 -0.306 1.00 2.65 H new ATOM 0 HG SER A 50 -11.146 -8.422 -0.570 1.00 3.31 H new ATOM 444 N ALA A 51 -6.440 -6.145 -2.741 1.00 1.33 N ATOM 445 CA ALA A 51 -5.019 -6.370 -2.996 1.00 1.15 C ATOM 446 C ALA A 51 -4.283 -6.610 -1.686 1.00 1.13 C ATOM 447 O ALA A 51 -4.894 -6.991 -0.688 1.00 1.56 O ATOM 448 CB ALA A 51 -4.415 -5.183 -3.728 1.00 1.20 C ATOM 0 H ALA A 51 -6.791 -5.241 -3.058 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.915 -7.254 -3.626 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -3.356 -5.368 -3.910 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.927 -5.043 -4.680 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.527 -4.285 -3.120 1.00 1.20 H new ATOM 454 N THR A 52 -2.974 -6.381 -1.679 1.00 1.05 N ATOM 455 CA THR A 52 -2.199 -6.577 -0.467 1.00 1.07 C ATOM 456 C THR A 52 -2.621 -5.574 0.590 1.00 0.91 C ATOM 457 O THR A 52 -2.956 -4.437 0.279 1.00 1.28 O ATOM 458 CB THR A 52 -0.697 -6.463 -0.743 1.00 1.64 C ATOM 459 OG1 THR A 52 -0.245 -7.570 -1.503 1.00 2.30 O ATOM 460 CG2 THR A 52 0.149 -6.398 0.516 1.00 2.34 C ATOM 0 H THR A 52 -2.438 -6.065 -2.487 1.00 1.05 H new ATOM 0 HA THR A 52 -2.394 -7.584 -0.099 1.00 1.07 H new ATOM 0 HB THR A 52 -0.577 -5.527 -1.288 1.00 1.64 H new ATOM 0 HG1 THR A 52 0.652 -7.828 -1.204 1.00 2.30 H new ATOM 0 HG21 THR A 52 1.201 -6.318 0.243 1.00 2.34 H new ATOM 0 HG22 THR A 52 -0.141 -5.527 1.104 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.006 -7.302 1.105 1.00 2.34 H new ATOM 468 N ILE A 53 -2.605 -6.009 1.838 1.00 1.13 N ATOM 469 CA ILE A 53 -2.987 -5.156 2.947 1.00 1.60 C ATOM 470 C ILE A 53 -1.863 -5.057 3.966 1.00 1.49 C ATOM 471 O ILE A 53 -2.107 -4.986 5.169 1.00 2.03 O ATOM 472 CB ILE A 53 -4.256 -5.688 3.636 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.183 -7.208 3.779 1.00 2.64 C ATOM 474 CG2 ILE A 53 -5.489 -5.289 2.846 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.346 -7.797 4.546 1.00 2.95 C ATOM 0 H ILE A 53 -2.330 -6.953 2.108 1.00 1.13 H new ATOM 0 HA ILE A 53 -3.190 -4.164 2.544 1.00 1.60 H new ATOM 0 HB ILE A 53 -4.324 -5.249 4.631 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -4.147 -7.657 2.787 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -3.254 -7.474 4.283 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -6.380 -5.672 3.344 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -5.546 -4.202 2.785 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -5.428 -5.706 1.841 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -5.230 -8.879 4.609 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -5.370 -7.375 5.551 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.278 -7.562 4.031 1.00 2.95 H new ATOM 487 N VAL A 54 -0.627 -5.060 3.473 1.00 0.90 N ATOM 488 CA VAL A 54 0.539 -4.979 4.340 1.00 0.93 C ATOM 489 C VAL A 54 1.792 -4.646 3.542 1.00 0.65 C ATOM 490 O VAL A 54 1.715 -4.384 2.340 1.00 0.59 O ATOM 491 CB VAL A 54 0.763 -6.306 5.092 1.00 1.31 C ATOM 492 CG1 VAL A 54 -0.155 -6.406 6.299 1.00 1.86 C ATOM 493 CG2 VAL A 54 0.551 -7.489 4.158 1.00 2.03 C ATOM 0 H VAL A 54 -0.410 -5.118 2.478 1.00 0.90 H new ATOM 0 HA VAL A 54 0.348 -4.184 5.061 1.00 0.93 H new ATOM 0 HB VAL A 54 1.793 -6.327 5.448 1.00 1.31 H new ATOM 0 HG11 VAL A 54 0.022 -7.351 6.813 1.00 1.86 H new ATOM 0 HG12 VAL A 54 0.047 -5.579 6.980 1.00 1.86 H new ATOM 0 HG13 VAL A 54 -1.193 -6.360 5.971 1.00 1.86 H new ATOM 0 HG21 VAL A 54 0.713 -8.418 4.705 1.00 2.03 H new ATOM 0 HG22 VAL A 54 -0.468 -7.469 3.771 1.00 2.03 H new ATOM 0 HG23 VAL A 54 1.256 -7.429 3.329 1.00 2.03 H new ATOM 503 N SER A 55 2.939 -4.656 4.229 1.00 0.71 N ATOM 504 CA SER A 55 4.229 -4.361 3.617 1.00 0.61 C ATOM 505 C SER A 55 5.305 -4.229 4.695 1.00 0.71 C ATOM 506 O SER A 55 5.231 -4.882 5.736 1.00 0.96 O ATOM 507 CB SER A 55 4.165 -3.066 2.827 1.00 0.64 C ATOM 508 OG SER A 55 5.295 -2.914 1.990 1.00 1.38 O ATOM 0 H SER A 55 2.994 -4.869 5.225 1.00 0.71 H new ATOM 0 HA SER A 55 4.477 -5.182 2.944 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.258 -3.052 2.222 1.00 0.64 H new ATOM 0 HB3 SER A 55 4.103 -2.222 3.514 1.00 0.64 H new ATOM 0 HG SER A 55 5.010 -2.588 1.111 1.00 1.38 H new ATOM 514 N ALA A 56 6.302 -3.377 4.445 1.00 0.63 N ATOM 515 CA ALA A 56 7.370 -3.166 5.396 1.00 0.77 C ATOM 516 C ALA A 56 8.398 -2.180 4.868 1.00 0.58 C ATOM 517 O ALA A 56 8.353 -1.760 3.708 1.00 0.59 O ATOM 518 CB ALA A 56 8.028 -4.483 5.761 1.00 1.17 C ATOM 0 H ALA A 56 6.383 -2.827 3.590 1.00 0.63 H new ATOM 0 HA ALA A 56 6.932 -2.736 6.297 1.00 0.77 H new ATOM 0 HB1 ALA A 56 8.829 -4.303 6.478 1.00 1.17 H new ATOM 0 HB2 ALA A 56 7.288 -5.149 6.204 1.00 1.17 H new ATOM 0 HB3 ALA A 56 8.441 -4.945 4.864 1.00 1.17 H new ATOM 524 N SER A 57 9.322 -1.820 5.737 1.00 0.52 N ATOM 525 CA SER A 57 10.389 -0.902 5.397 1.00 0.47 C ATOM 526 C SER A 57 11.655 -1.344 6.076 1.00 0.59 C ATOM 527 O SER A 57 11.675 -2.316 6.817 1.00 0.87 O ATOM 528 CB SER A 57 10.048 0.515 5.821 1.00 0.51 C ATOM 529 OG SER A 57 10.081 0.641 7.237 1.00 1.46 O ATOM 0 H SER A 57 9.353 -2.157 6.699 1.00 0.52 H new ATOM 0 HA SER A 57 10.523 -0.908 4.315 1.00 0.47 H new ATOM 0 HB2 SER A 57 10.755 1.213 5.373 1.00 0.51 H new ATOM 0 HB3 SER A 57 9.058 0.782 5.451 1.00 0.51 H new ATOM 0 HG SER A 57 9.337 1.206 7.533 1.00 1.46 H new ATOM 535 N THR A 58 12.703 -0.616 5.823 1.00 0.75 N ATOM 536 CA THR A 58 14.003 -0.927 6.394 1.00 0.94 C ATOM 537 C THR A 58 13.937 -1.183 7.908 1.00 1.00 C ATOM 538 O THR A 58 14.838 -1.803 8.470 1.00 1.41 O ATOM 539 CB THR A 58 15.005 0.185 6.081 1.00 1.24 C ATOM 540 OG1 THR A 58 15.032 1.131 7.112 1.00 1.39 O ATOM 541 CG2 THR A 58 14.744 0.910 4.771 1.00 1.99 C ATOM 0 H THR A 58 12.693 0.207 5.221 1.00 0.75 H new ATOM 0 HA THR A 58 14.341 -1.854 5.930 1.00 0.94 H new ATOM 0 HB THR A 58 15.966 -0.321 5.987 1.00 1.24 H new ATOM 0 HG1 THR A 58 14.403 1.855 6.909 1.00 1.39 H new ATOM 0 HG21 THR A 58 15.499 1.682 4.626 1.00 1.99 H new ATOM 0 HG22 THR A 58 14.789 0.199 3.946 1.00 1.99 H new ATOM 0 HG23 THR A 58 13.756 1.370 4.800 1.00 1.99 H new ATOM 549 N LEU A 59 12.873 -0.736 8.572 1.00 1.17 N ATOM 550 CA LEU A 59 12.740 -0.961 10.006 1.00 1.34 C ATOM 551 C LEU A 59 11.996 -2.274 10.293 1.00 1.38 C ATOM 552 O LEU A 59 11.700 -2.589 11.445 1.00 1.80 O ATOM 553 CB LEU A 59 12.076 0.260 10.682 1.00 1.71 C ATOM 554 CG LEU A 59 10.679 0.063 11.287 1.00 1.41 C ATOM 555 CD1 LEU A 59 10.255 1.309 12.051 1.00 1.74 C ATOM 556 CD2 LEU A 59 9.671 -0.258 10.201 1.00 1.87 C ATOM 0 H LEU A 59 12.101 -0.223 8.146 1.00 1.17 H new ATOM 0 HA LEU A 59 13.734 -1.069 10.440 1.00 1.34 H new ATOM 0 HB2 LEU A 59 12.739 0.608 11.474 1.00 1.71 H new ATOM 0 HB3 LEU A 59 12.013 1.060 9.944 1.00 1.71 H new ATOM 0 HG LEU A 59 10.717 -0.776 11.981 1.00 1.41 H new ATOM 0 HD11 LEU A 59 9.263 1.156 12.475 1.00 1.74 H new ATOM 0 HD12 LEU A 59 10.966 1.503 12.854 1.00 1.74 H new ATOM 0 HD13 LEU A 59 10.232 2.162 11.372 1.00 1.74 H new ATOM 0 HD21 LEU A 59 8.686 -0.395 10.648 1.00 1.87 H new ATOM 0 HD22 LEU A 59 9.634 0.563 9.485 1.00 1.87 H new ATOM 0 HD23 LEU A 59 9.967 -1.173 9.689 1.00 1.87 H new ATOM 568 N ASP A 60 11.706 -3.038 9.236 1.00 1.26 N ATOM 569 CA ASP A 60 11.010 -4.310 9.374 1.00 1.54 C ATOM 570 C ASP A 60 11.757 -5.239 10.335 1.00 1.37 C ATOM 571 O ASP A 60 12.603 -4.800 11.112 1.00 1.36 O ATOM 572 CB ASP A 60 10.851 -4.986 8.007 1.00 2.10 C ATOM 573 CG ASP A 60 9.557 -5.767 7.891 1.00 2.87 C ATOM 574 OD1 ASP A 60 8.596 -5.433 8.616 1.00 3.56 O ATOM 575 OD2 ASP A 60 9.503 -6.709 7.072 1.00 3.17 O ATOM 0 H ASP A 60 11.945 -2.793 8.275 1.00 1.26 H new ATOM 0 HA ASP A 60 10.021 -4.110 9.786 1.00 1.54 H new ATOM 0 HB2 ASP A 60 10.885 -4.228 7.225 1.00 2.10 H new ATOM 0 HB3 ASP A 60 11.693 -5.657 7.837 1.00 2.10 H new ATOM 580 N LYS A 61 11.439 -6.527 10.269 1.00 1.65 N ATOM 581 CA LYS A 61 12.074 -7.526 11.126 1.00 1.85 C ATOM 582 C LYS A 61 13.347 -8.071 10.491 1.00 1.82 C ATOM 583 O LYS A 61 14.435 -7.967 11.057 1.00 1.93 O ATOM 584 CB LYS A 61 11.112 -8.681 11.406 1.00 2.35 C ATOM 585 CG LYS A 61 9.868 -8.278 12.183 1.00 2.39 C ATOM 586 CD LYS A 61 8.957 -7.385 11.360 1.00 2.98 C ATOM 587 CE LYS A 61 7.585 -7.255 12.001 1.00 3.67 C ATOM 588 NZ LYS A 61 6.883 -8.566 12.075 1.00 4.11 N ATOM 0 H LYS A 61 10.742 -6.907 9.628 1.00 1.65 H new ATOM 0 HA LYS A 61 12.335 -7.035 12.064 1.00 1.85 H new ATOM 0 HB2 LYS A 61 10.808 -9.124 10.458 1.00 2.35 H new ATOM 0 HB3 LYS A 61 11.641 -9.454 11.964 1.00 2.35 H new ATOM 0 HG2 LYS A 61 9.323 -9.172 12.487 1.00 2.39 H new ATOM 0 HG3 LYS A 61 10.161 -7.758 13.095 1.00 2.39 H new ATOM 0 HD2 LYS A 61 9.408 -6.398 11.257 1.00 2.98 H new ATOM 0 HD3 LYS A 61 8.854 -7.794 10.355 1.00 2.98 H new ATOM 0 HE2 LYS A 61 7.690 -6.842 13.004 1.00 3.67 H new ATOM 0 HE3 LYS A 61 6.981 -6.551 11.428 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 5.862 -8.407 12.191 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 7.053 -9.101 11.199 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 7.243 -9.107 12.887 1.00 4.11 H new ATOM 602 N GLU A 62 13.191 -8.668 9.315 1.00 1.86 N ATOM 603 CA GLU A 62 14.308 -9.257 8.587 1.00 1.95 C ATOM 604 C GLU A 62 15.509 -8.318 8.530 1.00 1.79 C ATOM 605 O GLU A 62 16.644 -8.765 8.367 1.00 1.95 O ATOM 606 CB GLU A 62 13.867 -9.632 7.170 1.00 2.09 C ATOM 607 CG GLU A 62 12.735 -10.645 7.137 1.00 2.41 C ATOM 608 CD GLU A 62 13.091 -11.940 7.840 1.00 3.00 C ATOM 609 OE1 GLU A 62 12.882 -12.026 9.068 1.00 3.14 O ATOM 610 OE2 GLU A 62 13.582 -12.867 7.163 1.00 3.80 O ATOM 0 H GLU A 62 12.292 -8.757 8.842 1.00 1.86 H new ATOM 0 HA GLU A 62 14.617 -10.154 9.124 1.00 1.95 H new ATOM 0 HB2 GLU A 62 13.553 -8.730 6.645 1.00 2.09 H new ATOM 0 HB3 GLU A 62 14.721 -10.036 6.627 1.00 2.09 H new ATOM 0 HG2 GLU A 62 11.851 -10.212 7.606 1.00 2.41 H new ATOM 0 HG3 GLU A 62 12.473 -10.858 6.101 1.00 2.41 H new ATOM 617 N PHE A 63 15.261 -7.019 8.648 1.00 1.55 N ATOM 618 CA PHE A 63 16.336 -6.036 8.591 1.00 1.41 C ATOM 619 C PHE A 63 17.043 -5.888 9.937 1.00 1.54 C ATOM 620 O PHE A 63 18.241 -6.147 10.045 1.00 1.79 O ATOM 621 CB PHE A 63 15.777 -4.688 8.146 1.00 1.10 C ATOM 622 CG PHE A 63 15.040 -4.764 6.840 1.00 0.91 C ATOM 623 CD1 PHE A 63 15.536 -5.529 5.804 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.845 -4.086 6.654 1.00 0.72 C ATOM 625 CE1 PHE A 63 14.862 -5.616 4.608 1.00 1.22 C ATOM 626 CE2 PHE A 63 13.158 -4.171 5.456 1.00 0.88 C ATOM 627 CZ PHE A 63 13.670 -4.939 4.434 1.00 1.02 C ATOM 0 H PHE A 63 14.331 -6.623 8.783 1.00 1.55 H new ATOM 0 HA PHE A 63 17.073 -6.388 7.869 1.00 1.41 H new ATOM 0 HB2 PHE A 63 15.105 -4.307 8.915 1.00 1.10 H new ATOM 0 HB3 PHE A 63 16.595 -3.973 8.055 1.00 1.10 H new ATOM 0 HD1 PHE A 63 16.464 -6.066 5.934 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.445 -3.483 7.456 1.00 0.72 H new ATOM 0 HE1 PHE A 63 15.265 -6.214 3.804 1.00 1.22 H new ATOM 0 HE2 PHE A 63 12.227 -3.639 5.323 1.00 0.88 H new ATOM 0 HZ PHE A 63 13.140 -5.012 3.496 1.00 1.02 H new ATOM 637 N GLY A 64 16.295 -5.475 10.958 1.00 1.52 N ATOM 638 CA GLY A 64 16.863 -5.300 12.289 1.00 1.73 C ATOM 639 C GLY A 64 18.262 -4.700 12.277 1.00 1.66 C ATOM 640 O GLY A 64 19.134 -5.134 13.031 1.00 2.32 O ATOM 0 H GLY A 64 15.301 -5.257 10.888 1.00 1.52 H new ATOM 0 HA2 GLY A 64 16.205 -4.657 12.875 1.00 1.73 H new ATOM 0 HA3 GLY A 64 16.895 -6.266 12.792 1.00 1.73 H new ATOM 644 N LEU A 65 18.482 -3.704 11.419 1.00 1.73 N ATOM 645 CA LEU A 65 19.790 -3.060 11.322 1.00 2.08 C ATOM 646 C LEU A 65 19.710 -1.748 10.546 1.00 2.04 C ATOM 647 O LEU A 65 20.340 -0.758 10.918 1.00 2.62 O ATOM 648 CB LEU A 65 20.791 -4.000 10.649 1.00 2.62 C ATOM 649 CG LEU A 65 22.194 -3.421 10.457 1.00 2.98 C ATOM 650 CD1 LEU A 65 22.800 -3.032 11.795 1.00 3.23 C ATOM 651 CD2 LEU A 65 23.085 -4.422 9.736 1.00 3.51 C ATOM 0 H LEU A 65 17.776 -3.328 10.786 1.00 1.73 H new ATOM 0 HA LEU A 65 20.126 -2.835 12.334 1.00 2.08 H new ATOM 0 HB2 LEU A 65 20.868 -4.910 11.244 1.00 2.62 H new ATOM 0 HB3 LEU A 65 20.397 -4.289 9.675 1.00 2.62 H new ATOM 0 HG LEU A 65 22.117 -2.523 9.844 1.00 2.98 H new ATOM 0 HD11 LEU A 65 23.798 -2.622 11.637 1.00 3.23 H new ATOM 0 HD12 LEU A 65 22.171 -2.282 12.275 1.00 3.23 H new ATOM 0 HD13 LEU A 65 22.866 -3.912 12.434 1.00 3.23 H new ATOM 0 HD21 LEU A 65 24.080 -3.996 9.606 1.00 3.51 H new ATOM 0 HD22 LEU A 65 23.156 -5.337 10.325 1.00 3.51 H new ATOM 0 HD23 LEU A 65 22.659 -4.651 8.759 1.00 3.51 H new ATOM 663 N ASP A 66 18.931 -1.748 9.463 1.00 1.94 N ATOM 664 CA ASP A 66 18.759 -0.559 8.620 1.00 2.04 C ATOM 665 C ASP A 66 18.681 0.717 9.437 1.00 1.41 C ATOM 666 O ASP A 66 19.280 1.730 9.082 1.00 1.89 O ATOM 667 CB ASP A 66 17.491 -0.676 7.803 1.00 2.97 C ATOM 668 CG ASP A 66 17.435 -1.948 6.983 1.00 4.03 C ATOM 669 OD1 ASP A 66 18.511 -2.497 6.672 1.00 4.42 O ATOM 670 OD2 ASP A 66 16.316 -2.397 6.657 1.00 4.70 O ATOM 0 H ASP A 66 18.405 -2.563 9.146 1.00 1.94 H new ATOM 0 HA ASP A 66 19.633 -0.506 7.971 1.00 2.04 H new ATOM 0 HB2 ASP A 66 16.630 -0.642 8.470 1.00 2.97 H new ATOM 0 HB3 ASP A 66 17.413 0.184 7.137 1.00 2.97 H new ATOM 675 N SER A 67 17.905 0.661 10.515 1.00 1.46 N ATOM 676 CA SER A 67 17.693 1.816 11.392 1.00 2.04 C ATOM 677 C SER A 67 16.686 2.769 10.774 1.00 2.10 C ATOM 678 O SER A 67 16.658 3.961 11.079 1.00 2.64 O ATOM 679 CB SER A 67 18.984 2.577 11.622 1.00 2.55 C ATOM 680 OG SER A 67 20.048 1.706 11.963 1.00 2.95 O ATOM 0 H SER A 67 17.406 -0.179 10.807 1.00 1.46 H new ATOM 0 HA SER A 67 17.322 1.435 12.344 1.00 2.04 H new ATOM 0 HB2 SER A 67 19.244 3.135 10.722 1.00 2.55 H new ATOM 0 HB3 SER A 67 18.840 3.306 12.419 1.00 2.55 H new ATOM 0 HG SER A 67 19.790 0.781 11.766 1.00 2.95 H new ATOM 686 N THR A 68 15.890 2.230 9.882 1.00 1.67 N ATOM 687 CA THR A 68 14.891 2.991 9.162 1.00 1.78 C ATOM 688 C THR A 68 15.570 3.821 8.072 1.00 1.59 C ATOM 689 O THR A 68 15.312 5.017 7.948 1.00 2.23 O ATOM 690 CB THR A 68 14.087 3.903 10.093 1.00 2.14 C ATOM 691 OG1 THR A 68 14.162 3.450 11.433 1.00 2.77 O ATOM 692 CG2 THR A 68 12.618 3.979 9.714 1.00 2.70 C ATOM 0 H THR A 68 15.916 1.242 9.631 1.00 1.67 H new ATOM 0 HA THR A 68 14.191 2.287 8.711 1.00 1.78 H new ATOM 0 HB THR A 68 14.532 4.893 9.992 1.00 2.14 H new ATOM 0 HG1 THR A 68 14.951 3.839 11.866 1.00 2.77 H new ATOM 0 HG21 THR A 68 12.097 4.639 10.408 1.00 2.70 H new ATOM 0 HG22 THR A 68 12.523 4.370 8.701 1.00 2.70 H new ATOM 0 HG23 THR A 68 12.178 2.983 9.761 1.00 2.70 H new ATOM 700 N ASN A 69 16.455 3.171 7.298 1.00 1.07 N ATOM 701 CA ASN A 69 17.188 3.833 6.213 1.00 1.18 C ATOM 702 C ASN A 69 17.663 2.846 5.161 1.00 1.14 C ATOM 703 O ASN A 69 17.465 1.640 5.280 1.00 2.00 O ATOM 704 CB ASN A 69 18.408 4.583 6.721 1.00 1.57 C ATOM 705 CG ASN A 69 18.064 5.783 7.572 1.00 1.96 C ATOM 706 OD1 ASN A 69 18.151 6.925 7.119 1.00 2.86 O ATOM 707 ND2 ASN A 69 17.664 5.525 8.809 1.00 1.89 N ATOM 0 H ASN A 69 16.679 2.182 7.407 1.00 1.07 H new ATOM 0 HA ASN A 69 16.478 4.533 5.774 1.00 1.18 H new ATOM 0 HB2 ASN A 69 19.029 3.901 7.302 1.00 1.57 H new ATOM 0 HB3 ASN A 69 19.005 4.910 5.869 1.00 1.57 H new ATOM 0 HD21 ASN A 69 17.411 6.291 9.433 1.00 1.89 H new ATOM 0 HD22 ASN A 69 17.609 4.561 9.136 1.00 1.89 H new ATOM 714 N ASN A 70 18.300 3.390 4.128 1.00 1.04 N ATOM 715 CA ASN A 70 18.811 2.589 3.030 1.00 1.32 C ATOM 716 C ASN A 70 17.641 1.952 2.309 1.00 1.16 C ATOM 717 O ASN A 70 17.183 0.872 2.685 1.00 1.05 O ATOM 718 CB ASN A 70 19.774 1.516 3.546 1.00 1.70 C ATOM 719 CG ASN A 70 20.884 1.192 2.560 1.00 1.67 C ATOM 720 OD1 ASN A 70 21.995 0.840 2.955 1.00 2.23 O ATOM 721 ND2 ASN A 70 20.591 1.304 1.268 1.00 1.52 N ATOM 0 H ASN A 70 18.473 4.391 4.032 1.00 1.04 H new ATOM 0 HA ASN A 70 19.365 3.226 2.340 1.00 1.32 H new ATOM 0 HB2 ASN A 70 20.215 1.852 4.484 1.00 1.70 H new ATOM 0 HB3 ASN A 70 19.213 0.607 3.765 1.00 1.70 H new ATOM 0 HD21 ASN A 70 21.299 1.095 0.564 1.00 1.52 H new ATOM 0 HD22 ASN A 70 19.658 1.599 0.980 1.00 1.52 H new ATOM 728 N ILE A 71 17.129 2.637 1.295 1.00 1.26 N ATOM 729 CA ILE A 71 15.987 2.145 0.566 1.00 1.24 C ATOM 730 C ILE A 71 16.179 0.698 0.122 1.00 1.02 C ATOM 731 O ILE A 71 15.213 -0.053 -0.006 1.00 0.95 O ATOM 732 CB ILE A 71 15.704 3.026 -0.656 1.00 1.56 C ATOM 733 CG1 ILE A 71 14.459 2.547 -1.388 1.00 1.60 C ATOM 734 CG2 ILE A 71 16.901 3.035 -1.594 1.00 2.25 C ATOM 735 CD1 ILE A 71 14.136 3.403 -2.581 1.00 1.84 C ATOM 0 H ILE A 71 17.491 3.532 0.966 1.00 1.26 H new ATOM 0 HA ILE A 71 15.134 2.183 1.243 1.00 1.24 H new ATOM 0 HB ILE A 71 15.527 4.044 -0.310 1.00 1.56 H new ATOM 0 HG12 ILE A 71 14.604 1.516 -1.711 1.00 1.60 H new ATOM 0 HG13 ILE A 71 13.612 2.550 -0.701 1.00 1.60 H new ATOM 0 HG21 ILE A 71 16.683 3.665 -2.456 1.00 2.25 H new ATOM 0 HG22 ILE A 71 17.772 3.427 -1.069 1.00 2.25 H new ATOM 0 HG23 ILE A 71 17.107 2.019 -1.930 1.00 2.25 H new ATOM 0 HD11 ILE A 71 13.240 3.022 -3.071 1.00 1.84 H new ATOM 0 HD12 ILE A 71 13.963 4.429 -2.257 1.00 1.84 H new ATOM 0 HD13 ILE A 71 14.970 3.380 -3.282 1.00 1.84 H new ATOM 747 N GLU A 72 17.434 0.306 -0.098 1.00 1.00 N ATOM 748 CA GLU A 72 17.747 -1.059 -0.512 1.00 0.97 C ATOM 749 C GLU A 72 17.040 -2.051 0.402 1.00 0.79 C ATOM 750 O GLU A 72 16.581 -3.106 -0.033 1.00 0.78 O ATOM 751 CB GLU A 72 19.261 -1.288 -0.478 1.00 1.11 C ATOM 752 CG GLU A 72 19.696 -2.633 -1.040 1.00 1.49 C ATOM 753 CD GLU A 72 19.307 -3.798 -0.151 1.00 1.95 C ATOM 754 OE1 GLU A 72 19.878 -3.921 0.953 1.00 2.49 O ATOM 755 OE2 GLU A 72 18.430 -4.588 -0.560 1.00 2.41 O ATOM 0 H GLU A 72 18.247 0.913 0.004 1.00 1.00 H new ATOM 0 HA GLU A 72 17.398 -1.210 -1.533 1.00 0.97 H new ATOM 0 HB2 GLU A 72 19.751 -0.494 -1.042 1.00 1.11 H new ATOM 0 HB3 GLU A 72 19.607 -1.207 0.552 1.00 1.11 H new ATOM 0 HG2 GLU A 72 19.251 -2.770 -2.026 1.00 1.49 H new ATOM 0 HG3 GLU A 72 20.777 -2.632 -1.176 1.00 1.49 H new ATOM 762 N ALA A 73 16.941 -1.678 1.670 1.00 0.70 N ATOM 763 CA ALA A 73 16.275 -2.496 2.664 1.00 0.60 C ATOM 764 C ALA A 73 14.772 -2.469 2.432 1.00 0.54 C ATOM 765 O ALA A 73 14.137 -3.509 2.255 1.00 0.56 O ATOM 766 CB ALA A 73 16.613 -2.002 4.064 1.00 0.66 C ATOM 0 H ALA A 73 17.319 -0.803 2.034 1.00 0.70 H new ATOM 0 HA ALA A 73 16.623 -3.525 2.572 1.00 0.60 H new ATOM 0 HB1 ALA A 73 16.107 -2.625 4.802 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.690 -2.059 4.220 1.00 0.66 H new ATOM 0 HB3 ALA A 73 16.284 -0.969 4.174 1.00 0.66 H new ATOM 772 N ALA A 74 14.205 -1.264 2.403 1.00 0.56 N ATOM 773 CA ALA A 74 12.777 -1.112 2.166 1.00 0.65 C ATOM 774 C ALA A 74 12.385 -1.831 0.884 1.00 0.63 C ATOM 775 O ALA A 74 11.255 -2.292 0.737 1.00 0.73 O ATOM 776 CB ALA A 74 12.390 0.356 2.098 1.00 0.77 C ATOM 0 H ALA A 74 14.710 -0.388 2.540 1.00 0.56 H new ATOM 0 HA ALA A 74 12.237 -1.560 3.000 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.318 0.442 1.920 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.642 0.843 3.040 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.932 0.838 1.285 1.00 0.77 H new ATOM 782 N LYS A 75 13.342 -1.941 -0.032 1.00 0.60 N ATOM 783 CA LYS A 75 13.112 -2.628 -1.290 1.00 0.69 C ATOM 784 C LYS A 75 12.926 -4.116 -1.033 1.00 0.68 C ATOM 785 O LYS A 75 12.059 -4.756 -1.622 1.00 0.81 O ATOM 786 CB LYS A 75 14.288 -2.402 -2.244 1.00 0.81 C ATOM 787 CG LYS A 75 14.169 -3.167 -3.552 1.00 1.26 C ATOM 788 CD LYS A 75 15.430 -3.028 -4.390 1.00 1.49 C ATOM 789 CE LYS A 75 15.327 -3.811 -5.691 1.00 1.90 C ATOM 790 NZ LYS A 75 14.282 -3.257 -6.596 1.00 2.16 N ATOM 0 H LYS A 75 14.283 -1.562 0.077 1.00 0.60 H new ATOM 0 HA LYS A 75 12.210 -2.227 -1.753 1.00 0.69 H new ATOM 0 HB2 LYS A 75 14.368 -1.337 -2.462 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.211 -2.695 -1.744 1.00 0.81 H new ATOM 0 HG2 LYS A 75 13.982 -4.221 -3.344 1.00 1.26 H new ATOM 0 HG3 LYS A 75 13.313 -2.797 -4.116 1.00 1.26 H new ATOM 0 HD2 LYS A 75 15.606 -1.975 -4.611 1.00 1.49 H new ATOM 0 HD3 LYS A 75 16.288 -3.382 -3.819 1.00 1.49 H new ATOM 0 HE2 LYS A 75 16.291 -3.797 -6.199 1.00 1.90 H new ATOM 0 HE3 LYS A 75 15.099 -4.853 -5.469 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 14.336 -3.731 -7.520 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 13.342 -3.417 -6.180 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 14.437 -2.236 -6.721 1.00 2.16 H new ATOM 804 N LYS A 76 13.744 -4.658 -0.134 1.00 0.60 N ATOM 805 CA LYS A 76 13.663 -6.069 0.215 1.00 0.66 C ATOM 806 C LYS A 76 12.239 -6.442 0.598 1.00 0.60 C ATOM 807 O LYS A 76 11.684 -7.423 0.102 1.00 0.68 O ATOM 808 CB LYS A 76 14.609 -6.390 1.375 1.00 0.73 C ATOM 809 CG LYS A 76 14.584 -7.852 1.813 1.00 0.96 C ATOM 810 CD LYS A 76 13.560 -8.116 2.918 1.00 1.23 C ATOM 811 CE LYS A 76 13.374 -9.606 3.154 1.00 2.08 C ATOM 812 NZ LYS A 76 14.638 -10.260 3.594 1.00 2.52 N ATOM 0 H LYS A 76 14.468 -4.140 0.364 1.00 0.60 H new ATOM 0 HA LYS A 76 13.960 -6.652 -0.657 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.626 -6.126 1.084 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.348 -5.762 2.227 1.00 0.73 H new ATOM 0 HG2 LYS A 76 14.356 -8.482 0.953 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.575 -8.139 2.164 1.00 0.96 H new ATOM 0 HD2 LYS A 76 13.887 -7.637 3.841 1.00 1.23 H new ATOM 0 HD3 LYS A 76 12.605 -7.667 2.647 1.00 1.23 H new ATOM 0 HE2 LYS A 76 12.603 -9.761 3.909 1.00 2.08 H new ATOM 0 HE3 LYS A 76 13.021 -10.078 2.237 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 14.444 -11.247 3.858 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 15.329 -10.238 2.817 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 15.024 -9.752 4.415 1.00 2.52 H new ATOM 826 N VAL A 77 11.655 -5.651 1.492 1.00 0.54 N ATOM 827 CA VAL A 77 10.294 -5.897 1.955 1.00 0.59 C ATOM 828 C VAL A 77 9.257 -5.292 1.016 1.00 0.57 C ATOM 829 O VAL A 77 8.341 -5.984 0.569 1.00 0.62 O ATOM 830 CB VAL A 77 10.059 -5.362 3.384 1.00 0.76 C ATOM 831 CG1 VAL A 77 10.870 -6.151 4.399 1.00 1.04 C ATOM 832 CG2 VAL A 77 10.377 -3.877 3.482 1.00 1.61 C ATOM 0 H VAL A 77 12.102 -4.835 1.910 1.00 0.54 H new ATOM 0 HA VAL A 77 10.175 -6.980 1.964 1.00 0.59 H new ATOM 0 HB VAL A 77 9.001 -5.492 3.613 1.00 0.76 H new ATOM 0 HG11 VAL A 77 10.687 -5.755 5.398 1.00 1.04 H new ATOM 0 HG12 VAL A 77 10.575 -7.200 4.365 1.00 1.04 H new ATOM 0 HG13 VAL A 77 11.931 -6.065 4.163 1.00 1.04 H new ATOM 0 HG21 VAL A 77 10.201 -3.534 4.501 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.422 -3.710 3.219 1.00 1.61 H new ATOM 0 HG23 VAL A 77 9.737 -3.322 2.796 1.00 1.61 H new ATOM 842 N GLY A 78 9.397 -4.005 0.717 1.00 0.61 N ATOM 843 CA GLY A 78 8.454 -3.353 -0.172 1.00 0.76 C ATOM 844 C GLY A 78 8.282 -4.124 -1.467 1.00 0.78 C ATOM 845 O GLY A 78 7.215 -4.094 -2.080 1.00 0.94 O ATOM 0 H GLY A 78 10.142 -3.405 1.072 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.489 -3.258 0.326 1.00 0.76 H new ATOM 0 HA3 GLY A 78 8.800 -2.343 -0.392 1.00 0.76 H new ATOM 849 N GLU A 79 9.333 -4.835 -1.867 1.00 0.70 N ATOM 850 CA GLU A 79 9.295 -5.641 -3.081 1.00 0.82 C ATOM 851 C GLU A 79 8.621 -6.975 -2.787 1.00 0.77 C ATOM 852 O GLU A 79 7.762 -7.429 -3.541 1.00 0.79 O ATOM 853 CB GLU A 79 10.707 -5.868 -3.625 1.00 0.91 C ATOM 854 CG GLU A 79 10.740 -6.580 -4.968 1.00 1.18 C ATOM 855 CD GLU A 79 10.447 -8.062 -4.853 1.00 1.88 C ATOM 856 OE1 GLU A 79 11.371 -8.825 -4.500 1.00 2.16 O ATOM 857 OE2 GLU A 79 9.292 -8.460 -5.112 1.00 2.67 O ATOM 0 H GLU A 79 10.221 -4.868 -1.367 1.00 0.70 H new ATOM 0 HA GLU A 79 8.722 -5.108 -3.840 1.00 0.82 H new ATOM 0 HB2 GLU A 79 11.208 -4.905 -3.723 1.00 0.91 H new ATOM 0 HB3 GLU A 79 11.276 -6.451 -2.901 1.00 0.91 H new ATOM 0 HG2 GLU A 79 10.011 -6.121 -5.636 1.00 1.18 H new ATOM 0 HG3 GLU A 79 11.721 -6.442 -5.423 1.00 1.18 H new ATOM 864 N LEU A 80 8.996 -7.586 -1.665 1.00 0.76 N ATOM 865 CA LEU A 80 8.402 -8.850 -1.259 1.00 0.78 C ATOM 866 C LEU A 80 6.894 -8.676 -1.146 1.00 0.72 C ATOM 867 O LEU A 80 6.122 -9.382 -1.796 1.00 0.73 O ATOM 868 CB LEU A 80 8.984 -9.313 0.079 1.00 0.86 C ATOM 869 CG LEU A 80 8.483 -10.674 0.566 1.00 1.28 C ATOM 870 CD1 LEU A 80 8.847 -11.765 -0.428 1.00 1.69 C ATOM 871 CD2 LEU A 80 9.054 -10.990 1.939 1.00 2.00 C ATOM 0 H LEU A 80 9.705 -7.226 -1.026 1.00 0.76 H new ATOM 0 HA LEU A 80 8.628 -9.611 -2.006 1.00 0.78 H new ATOM 0 HB2 LEU A 80 10.070 -9.353 -0.008 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.752 -8.565 0.837 1.00 0.86 H new ATOM 0 HG LEU A 80 7.397 -10.633 0.646 1.00 1.28 H new ATOM 0 HD11 LEU A 80 8.482 -12.725 -0.064 1.00 1.69 H new ATOM 0 HD12 LEU A 80 8.390 -11.545 -1.393 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.930 -11.808 -0.541 1.00 1.69 H new ATOM 0 HD21 LEU A 80 8.688 -11.962 2.271 1.00 2.00 H new ATOM 0 HD22 LEU A 80 10.142 -11.012 1.884 1.00 2.00 H new ATOM 0 HD23 LEU A 80 8.742 -10.223 2.648 1.00 2.00 H new ATOM 883 N VAL A 81 6.484 -7.696 -0.345 1.00 0.75 N ATOM 884 CA VAL A 81 5.074 -7.389 -0.180 1.00 0.76 C ATOM 885 C VAL A 81 4.479 -7.028 -1.532 1.00 0.74 C ATOM 886 O VAL A 81 3.310 -7.298 -1.806 1.00 0.74 O ATOM 887 CB VAL A 81 4.863 -6.223 0.800 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.670 -5.007 0.370 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.385 -5.883 0.914 1.00 0.95 C ATOM 0 H VAL A 81 7.112 -7.103 0.198 1.00 0.75 H new ATOM 0 HA VAL A 81 4.578 -8.269 0.230 1.00 0.76 H new ATOM 0 HB VAL A 81 5.217 -6.531 1.784 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.507 -4.193 1.077 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.729 -5.262 0.349 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.353 -4.693 -0.624 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.255 -5.056 1.612 1.00 0.95 H new ATOM 0 HG22 VAL A 81 3.001 -5.596 -0.065 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.838 -6.753 1.277 1.00 0.95 H new ATOM 899 N ALA A 82 5.312 -6.436 -2.386 1.00 0.81 N ATOM 900 CA ALA A 82 4.891 -6.062 -3.725 1.00 0.87 C ATOM 901 C ALA A 82 4.683 -7.311 -4.566 1.00 0.79 C ATOM 902 O ALA A 82 3.891 -7.311 -5.506 1.00 0.85 O ATOM 903 CB ALA A 82 5.913 -5.137 -4.370 1.00 1.03 C ATOM 0 H ALA A 82 6.282 -6.207 -2.170 1.00 0.81 H new ATOM 0 HA ALA A 82 3.946 -5.522 -3.662 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.579 -4.868 -5.372 1.00 1.03 H new ATOM 0 HB2 ALA A 82 6.017 -4.234 -3.768 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.875 -5.645 -4.432 1.00 1.03 H new ATOM 909 N LYS A 83 5.389 -8.384 -4.204 1.00 0.81 N ATOM 910 CA LYS A 83 5.269 -9.653 -4.906 1.00 0.89 C ATOM 911 C LYS A 83 3.875 -10.221 -4.694 1.00 0.81 C ATOM 912 O LYS A 83 3.248 -10.731 -5.620 1.00 0.90 O ATOM 913 CB LYS A 83 6.324 -10.643 -4.405 1.00 1.06 C ATOM 914 CG LYS A 83 6.411 -11.914 -5.236 1.00 1.43 C ATOM 915 CD LYS A 83 7.508 -12.837 -4.730 1.00 1.75 C ATOM 916 CE LYS A 83 7.704 -14.030 -5.652 1.00 2.04 C ATOM 917 NZ LYS A 83 8.070 -13.608 -7.034 1.00 2.68 N ATOM 0 H LYS A 83 6.050 -8.394 -3.427 1.00 0.81 H new ATOM 0 HA LYS A 83 5.432 -9.487 -5.971 1.00 0.89 H new ATOM 0 HB2 LYS A 83 7.298 -10.153 -4.403 1.00 1.06 H new ATOM 0 HB3 LYS A 83 6.099 -10.909 -3.372 1.00 1.06 H new ATOM 0 HG2 LYS A 83 5.454 -12.435 -5.207 1.00 1.43 H new ATOM 0 HG3 LYS A 83 6.603 -11.656 -6.278 1.00 1.43 H new ATOM 0 HD2 LYS A 83 8.443 -12.282 -4.648 1.00 1.75 H new ATOM 0 HD3 LYS A 83 7.257 -13.187 -3.729 1.00 1.75 H new ATOM 0 HE2 LYS A 83 8.485 -14.675 -5.250 1.00 2.04 H new ATOM 0 HE3 LYS A 83 6.788 -14.620 -5.683 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 8.502 -14.408 -7.538 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 7.216 -13.300 -7.541 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 8.748 -12.821 -6.988 1.00 2.68 H new ATOM 931 N ARG A 84 3.387 -10.106 -3.464 1.00 0.81 N ATOM 932 CA ARG A 84 2.055 -10.586 -3.127 1.00 0.84 C ATOM 933 C ARG A 84 1.008 -9.642 -3.705 1.00 0.61 C ATOM 934 O ARG A 84 0.003 -10.077 -4.267 1.00 0.71 O ATOM 935 CB ARG A 84 1.893 -10.684 -1.609 1.00 1.13 C ATOM 936 CG ARG A 84 2.979 -11.504 -0.931 1.00 1.39 C ATOM 937 CD ARG A 84 2.742 -11.609 0.566 1.00 1.98 C ATOM 938 NE ARG A 84 3.782 -12.388 1.234 1.00 2.44 N ATOM 939 CZ ARG A 84 3.935 -12.433 2.553 1.00 3.11 C ATOM 940 NH1 ARG A 84 3.122 -11.744 3.343 1.00 3.54 N ATOM 941 NH2 ARG A 84 4.903 -13.167 3.085 1.00 3.69 N ATOM 0 H ARG A 84 3.894 -9.685 -2.686 1.00 0.81 H new ATOM 0 HA ARG A 84 1.918 -11.579 -3.555 1.00 0.84 H new ATOM 0 HB2 ARG A 84 1.892 -9.679 -1.187 1.00 1.13 H new ATOM 0 HB3 ARG A 84 0.922 -11.126 -1.384 1.00 1.13 H new ATOM 0 HG2 ARG A 84 3.009 -12.503 -1.367 1.00 1.39 H new ATOM 0 HG3 ARG A 84 3.951 -11.047 -1.116 1.00 1.39 H new ATOM 0 HD2 ARG A 84 2.705 -10.609 0.998 1.00 1.98 H new ATOM 0 HD3 ARG A 84 1.771 -12.070 0.747 1.00 1.98 H new ATOM 0 HE ARG A 84 4.426 -12.927 0.656 1.00 2.44 H new ATOM 0 HH11 ARG A 84 2.377 -11.177 2.938 1.00 3.54 H new ATOM 0 HH12 ARG A 84 3.242 -11.781 4.355 1.00 3.54 H new ATOM 0 HH21 ARG A 84 5.531 -13.698 2.481 1.00 3.69 H new ATOM 0 HH22 ARG A 84 5.020 -13.201 4.098 1.00 3.69 H new ATOM 955 N ALA A 85 1.263 -8.344 -3.572 1.00 0.61 N ATOM 956 CA ALA A 85 0.359 -7.327 -4.086 1.00 0.80 C ATOM 957 C ALA A 85 0.298 -7.385 -5.603 1.00 1.06 C ATOM 958 O ALA A 85 -0.773 -7.259 -6.196 1.00 1.38 O ATOM 959 CB ALA A 85 0.802 -5.946 -3.625 1.00 1.21 C ATOM 0 H ALA A 85 2.093 -7.973 -3.110 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.639 -7.522 -3.694 1.00 0.80 H new ATOM 0 HB1 ALA A 85 0.117 -5.194 -4.017 1.00 1.21 H new ATOM 0 HB2 ALA A 85 0.798 -5.908 -2.536 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.809 -5.746 -3.992 1.00 1.21 H new ATOM 965 N LEU A 86 1.452 -7.592 -6.231 1.00 1.11 N ATOM 966 CA LEU A 86 1.512 -7.680 -7.680 1.00 1.61 C ATOM 967 C LEU A 86 0.892 -8.992 -8.160 1.00 1.90 C ATOM 968 O LEU A 86 0.487 -9.109 -9.317 1.00 2.47 O ATOM 969 CB LEU A 86 2.952 -7.545 -8.190 1.00 1.64 C ATOM 970 CG LEU A 86 3.897 -8.701 -7.866 1.00 1.91 C ATOM 971 CD1 LEU A 86 3.602 -9.897 -8.759 1.00 2.52 C ATOM 972 CD2 LEU A 86 5.341 -8.251 -8.033 1.00 1.92 C ATOM 0 H LEU A 86 2.350 -7.701 -5.760 1.00 1.11 H new ATOM 0 HA LEU A 86 0.937 -6.850 -8.090 1.00 1.61 H new ATOM 0 HB2 LEU A 86 2.921 -7.422 -9.273 1.00 1.64 H new ATOM 0 HB3 LEU A 86 3.377 -6.630 -7.777 1.00 1.64 H new ATOM 0 HG LEU A 86 3.741 -9.004 -6.831 1.00 1.91 H new ATOM 0 HD11 LEU A 86 4.285 -10.711 -8.514 1.00 2.52 H new ATOM 0 HD12 LEU A 86 2.575 -10.225 -8.600 1.00 2.52 H new ATOM 0 HD13 LEU A 86 3.735 -9.613 -9.803 1.00 2.52 H new ATOM 0 HD21 LEU A 86 6.010 -9.080 -7.800 1.00 1.92 H new ATOM 0 HD22 LEU A 86 5.505 -7.930 -9.062 1.00 1.92 H new ATOM 0 HD23 LEU A 86 5.544 -7.421 -7.357 1.00 1.92 H new ATOM 984 N GLU A 87 0.811 -9.975 -7.259 1.00 1.70 N ATOM 985 CA GLU A 87 0.228 -11.269 -7.592 1.00 2.11 C ATOM 986 C GLU A 87 -1.289 -11.251 -7.430 1.00 1.86 C ATOM 987 O GLU A 87 -2.010 -11.823 -8.248 1.00 2.33 O ATOM 988 CB GLU A 87 0.831 -12.379 -6.729 1.00 2.40 C ATOM 989 CG GLU A 87 2.114 -12.965 -7.299 1.00 2.35 C ATOM 990 CD GLU A 87 2.455 -14.314 -6.697 1.00 2.89 C ATOM 991 OE1 GLU A 87 3.086 -14.341 -5.619 1.00 3.30 O ATOM 992 OE2 GLU A 87 2.091 -15.344 -7.302 1.00 3.20 O ATOM 0 H GLU A 87 1.142 -9.896 -6.297 1.00 1.70 H new ATOM 0 HA GLU A 87 0.461 -11.471 -8.637 1.00 2.11 H new ATOM 0 HB2 GLU A 87 1.033 -11.984 -5.733 1.00 2.40 H new ATOM 0 HB3 GLU A 87 0.097 -13.177 -6.613 1.00 2.40 H new ATOM 0 HG2 GLU A 87 2.014 -13.068 -8.379 1.00 2.35 H new ATOM 0 HG3 GLU A 87 2.937 -12.273 -7.120 1.00 2.35 H new ATOM 999 N LYS A 88 -1.780 -10.585 -6.383 1.00 1.30 N ATOM 1000 CA LYS A 88 -3.200 -10.499 -6.152 1.00 1.38 C ATOM 1001 C LYS A 88 -3.759 -9.301 -6.902 1.00 1.33 C ATOM 1002 O LYS A 88 -3.167 -8.838 -7.877 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.485 -10.390 -4.648 1.00 1.54 C ATOM 1004 CG LYS A 88 -2.771 -11.447 -3.820 1.00 1.94 C ATOM 1005 CD LYS A 88 -3.276 -12.843 -4.150 1.00 1.92 C ATOM 1006 CE LYS A 88 -2.524 -13.908 -3.368 1.00 2.31 C ATOM 1007 NZ LYS A 88 -1.081 -13.953 -3.734 1.00 3.30 N ATOM 0 H LYS A 88 -1.207 -10.103 -5.691 1.00 1.30 H new ATOM 0 HA LYS A 88 -3.687 -11.402 -6.520 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.185 -9.402 -4.299 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.559 -10.474 -4.482 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -1.698 -11.393 -4.005 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -2.922 -11.245 -2.760 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -4.340 -12.909 -3.925 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -3.164 -13.028 -5.218 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -2.621 -13.711 -2.300 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -2.976 -14.882 -3.555 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -0.657 -14.829 -3.367 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -0.985 -13.929 -4.769 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -0.592 -13.133 -3.321 1.00 3.30 H new ATOM 1021 N GLY A 89 -4.892 -8.801 -6.448 1.00 1.17 N ATOM 1022 CA GLY A 89 -5.516 -7.654 -7.090 1.00 1.54 C ATOM 1023 C GLY A 89 -5.510 -7.743 -8.605 1.00 1.65 C ATOM 1024 O GLY A 89 -5.524 -6.722 -9.292 1.00 2.42 O ATOM 0 H GLY A 89 -5.399 -9.166 -5.642 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -6.545 -7.565 -6.741 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -4.996 -6.746 -6.783 1.00 1.54 H new ATOM 1028 N ILE A 90 -5.474 -8.964 -9.121 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.443 -9.196 -10.560 1.00 1.78 C ATOM 1030 C ILE A 90 -4.107 -8.741 -11.137 1.00 1.49 C ATOM 1031 O ILE A 90 -3.314 -9.542 -11.633 1.00 1.75 O ATOM 1032 CB ILE A 90 -6.581 -8.444 -11.280 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -7.883 -8.557 -10.483 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -6.766 -8.987 -12.689 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -9.089 -8.006 -11.214 1.00 3.26 C ATOM 0 H ILE A 90 -5.465 -9.816 -8.560 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.576 -10.266 -10.721 1.00 1.78 H new ATOM 0 HB ILE A 90 -6.312 -7.390 -11.350 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -8.062 -9.605 -10.242 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -7.768 -8.027 -9.537 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -7.573 -8.446 -13.184 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -5.842 -8.857 -13.253 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -7.016 -10.047 -12.641 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -9.976 -8.119 -10.590 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -8.931 -6.950 -11.432 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -9.230 -8.552 -12.147 1.00 3.26 H new ATOM 1047 N LYS A 91 -3.877 -7.440 -11.049 1.00 1.32 N ATOM 1048 CA LYS A 91 -2.657 -6.809 -11.530 1.00 1.13 C ATOM 1049 C LYS A 91 -2.002 -6.063 -10.371 1.00 1.05 C ATOM 1050 O LYS A 91 -2.543 -6.047 -9.266 1.00 1.59 O ATOM 1051 CB LYS A 91 -2.967 -5.853 -12.686 1.00 1.58 C ATOM 1052 CG LYS A 91 -4.181 -6.265 -13.506 1.00 2.04 C ATOM 1053 CD LYS A 91 -4.517 -5.236 -14.572 1.00 2.66 C ATOM 1054 CE LYS A 91 -3.415 -5.134 -15.614 1.00 3.45 C ATOM 1055 NZ LYS A 91 -3.264 -6.397 -16.387 1.00 3.95 N ATOM 0 H LYS A 91 -4.540 -6.784 -10.636 1.00 1.32 H new ATOM 0 HA LYS A 91 -1.972 -7.570 -11.905 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -3.132 -4.853 -12.285 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -2.098 -5.795 -13.342 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -3.991 -7.229 -13.978 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -5.038 -6.397 -12.846 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -5.455 -5.506 -15.058 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -4.669 -4.263 -14.105 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -3.636 -4.314 -16.297 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -2.472 -4.894 -15.123 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -2.682 -6.220 -17.231 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -2.803 -7.115 -15.792 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -4.202 -6.740 -16.679 1.00 3.95 H new ATOM 1069 N GLN A 92 -0.856 -5.438 -10.604 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.196 -4.702 -9.534 1.00 0.67 C ATOM 1071 C GLN A 92 -1.117 -3.568 -9.132 1.00 0.54 C ATOM 1072 O GLN A 92 -2.111 -3.328 -9.800 1.00 0.77 O ATOM 1073 CB GLN A 92 1.160 -4.109 -9.964 1.00 0.79 C ATOM 1074 CG GLN A 92 2.211 -5.089 -10.504 1.00 1.38 C ATOM 1075 CD GLN A 92 1.693 -6.116 -11.497 1.00 2.14 C ATOM 1076 OE1 GLN A 92 1.757 -5.909 -12.706 1.00 3.03 O ATOM 1077 NE2 GLN A 92 1.169 -7.224 -10.995 1.00 2.16 N ATOM 0 H GLN A 92 -0.373 -5.424 -11.502 1.00 0.75 H new ATOM 0 HA GLN A 92 0.003 -5.391 -8.713 1.00 0.67 H new ATOM 0 HB2 GLN A 92 0.973 -3.357 -10.731 1.00 0.79 H new ATOM 0 HB3 GLN A 92 1.590 -3.590 -9.107 1.00 0.79 H new ATOM 0 HG2 GLN A 92 3.007 -4.516 -10.981 1.00 1.38 H new ATOM 0 HG3 GLN A 92 2.659 -5.616 -9.662 1.00 1.38 H new ATOM 0 HE21 GLN A 92 1.134 -7.359 -9.985 1.00 2.16 H new ATOM 0 HE22 GLN A 92 0.801 -7.942 -11.619 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.809 -2.871 -8.055 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.662 -1.777 -7.624 1.00 0.44 C ATOM 1088 C VAL A 93 -0.945 -0.454 -7.813 1.00 0.75 C ATOM 1089 O VAL A 93 0.263 -0.436 -8.005 1.00 1.27 O ATOM 1090 CB VAL A 93 -2.101 -1.952 -6.161 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -0.906 -1.872 -5.246 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -3.150 -0.923 -5.773 1.00 1.73 C ATOM 0 H VAL A 93 0.010 -3.037 -7.470 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.561 -1.783 -8.240 1.00 0.44 H new ATOM 0 HB VAL A 93 -2.554 -2.938 -6.057 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -1.230 -1.997 -4.213 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -0.198 -2.660 -5.503 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -0.425 -0.901 -5.360 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -3.440 -1.073 -4.733 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -2.739 0.079 -5.894 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -4.025 -1.036 -6.413 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.684 0.651 -7.801 1.00 1.05 N ATOM 1103 CA VAL A 94 -1.074 1.952 -8.026 1.00 1.51 C ATOM 1104 C VAL A 94 -0.857 2.708 -6.729 1.00 1.18 C ATOM 1105 O VAL A 94 -1.747 2.816 -5.886 1.00 1.87 O ATOM 1106 CB VAL A 94 -1.927 2.819 -8.971 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -1.234 4.142 -9.253 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -2.215 2.073 -10.265 1.00 3.01 C ATOM 0 H VAL A 94 -2.691 0.671 -7.640 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.106 1.758 -8.488 1.00 1.51 H new ATOM 0 HB VAL A 94 -2.877 3.031 -8.481 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -1.852 4.741 -9.922 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -1.085 4.681 -8.318 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -0.268 3.954 -9.722 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -2.819 2.701 -10.920 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -1.276 1.829 -10.761 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -2.757 1.154 -10.042 1.00 3.01 H new ATOM 1118 N PHE A 95 0.361 3.215 -6.585 1.00 0.67 N ATOM 1119 CA PHE A 95 0.761 3.954 -5.403 1.00 0.49 C ATOM 1120 C PHE A 95 -0.144 5.144 -5.144 1.00 0.59 C ATOM 1121 O PHE A 95 -0.806 5.657 -6.047 1.00 1.09 O ATOM 1122 CB PHE A 95 2.218 4.400 -5.524 1.00 0.90 C ATOM 1123 CG PHE A 95 2.485 5.253 -6.728 1.00 1.91 C ATOM 1124 CD1 PHE A 95 2.737 4.671 -7.956 1.00 2.38 C ATOM 1125 CD2 PHE A 95 2.483 6.633 -6.629 1.00 2.81 C ATOM 1126 CE1 PHE A 95 2.984 5.451 -9.069 1.00 3.55 C ATOM 1127 CE2 PHE A 95 2.730 7.420 -7.737 1.00 3.99 C ATOM 1128 CZ PHE A 95 2.981 6.829 -8.960 1.00 4.33 C ATOM 0 H PHE A 95 1.096 3.123 -7.286 1.00 0.67 H new ATOM 0 HA PHE A 95 0.665 3.285 -4.548 1.00 0.49 H new ATOM 0 HB2 PHE A 95 2.496 4.954 -4.627 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.857 3.518 -5.564 1.00 0.90 H new ATOM 0 HD1 PHE A 95 2.741 3.595 -8.046 1.00 2.38 H new ATOM 0 HD2 PHE A 95 2.286 7.100 -5.675 1.00 2.81 H new ATOM 0 HE1 PHE A 95 3.179 4.985 -10.023 1.00 3.55 H new ATOM 0 HE2 PHE A 95 2.727 8.496 -7.647 1.00 3.99 H new ATOM 0 HZ PHE A 95 3.174 7.442 -9.828 1.00 4.33 H new ATOM 1138 N ASP A 96 -0.170 5.562 -3.888 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.993 6.678 -3.457 1.00 0.81 C ATOM 1140 C ASP A 96 -0.270 8.004 -3.685 1.00 0.85 C ATOM 1141 O ASP A 96 0.951 8.035 -3.838 1.00 1.36 O ATOM 1142 CB ASP A 96 -1.338 6.504 -1.979 1.00 1.11 C ATOM 1143 CG ASP A 96 -2.056 7.706 -1.396 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -1.387 8.727 -1.134 1.00 1.69 O ATOM 1145 OD2 ASP A 96 -3.286 7.623 -1.197 1.00 2.45 O ATOM 0 H ASP A 96 0.379 5.137 -3.141 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.911 6.694 -4.045 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -1.964 5.620 -1.859 1.00 1.11 H new ATOM 0 HB3 ASP A 96 -0.422 6.326 -1.416 1.00 1.11 H new ATOM 1150 N ARG A 97 -1.028 9.096 -3.706 1.00 0.97 N ATOM 1151 CA ARG A 97 -0.451 10.420 -3.915 1.00 1.31 C ATOM 1152 C ARG A 97 0.727 10.651 -2.972 1.00 1.52 C ATOM 1153 O ARG A 97 0.540 10.970 -1.798 1.00 1.99 O ATOM 1154 CB ARG A 97 -1.513 11.503 -3.701 1.00 1.45 C ATOM 1155 CG ARG A 97 -2.729 11.355 -4.602 1.00 1.62 C ATOM 1156 CD ARG A 97 -2.665 12.296 -5.796 1.00 1.98 C ATOM 1157 NE ARG A 97 -1.593 11.947 -6.724 1.00 2.55 N ATOM 1158 CZ ARG A 97 -1.387 12.573 -7.879 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -2.174 13.578 -8.239 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -0.395 12.196 -8.674 1.00 4.10 N ATOM 0 H ARG A 97 -2.040 9.091 -3.581 1.00 0.97 H new ATOM 0 HA ARG A 97 -0.090 10.476 -4.942 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -1.838 11.480 -2.661 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -1.062 12.480 -3.872 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -2.798 10.326 -4.954 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -3.633 11.557 -4.028 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -3.619 12.275 -6.323 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -2.518 13.317 -5.443 1.00 1.98 H new ATOM 0 HE ARG A 97 -0.968 11.181 -6.473 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -2.938 13.871 -7.630 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -2.015 14.058 -9.125 1.00 3.49 H new ATOM 0 HH21 ARG A 97 0.213 11.424 -8.400 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -0.240 12.678 -9.559 1.00 4.10 H new ATOM 1174 N GLY A 98 1.939 10.487 -3.493 1.00 1.57 N ATOM 1175 CA GLY A 98 3.127 10.680 -2.680 1.00 1.94 C ATOM 1176 C GLY A 98 4.370 10.067 -3.298 1.00 1.60 C ATOM 1177 O GLY A 98 5.487 10.498 -3.012 1.00 2.16 O ATOM 0 H GLY A 98 2.120 10.224 -4.462 1.00 1.57 H new ATOM 0 HA2 GLY A 98 3.290 11.747 -2.531 1.00 1.94 H new ATOM 0 HA3 GLY A 98 2.963 10.242 -1.695 1.00 1.94 H new ATOM 1181 N GLY A 99 4.180 9.057 -4.144 1.00 1.23 N ATOM 1182 CA GLY A 99 5.306 8.403 -4.785 1.00 1.25 C ATOM 1183 C GLY A 99 5.965 9.257 -5.858 1.00 1.56 C ATOM 1184 O GLY A 99 6.979 8.861 -6.432 1.00 2.33 O ATOM 0 H GLY A 99 3.266 8.681 -4.396 1.00 1.23 H new ATOM 0 HA2 GLY A 99 6.047 8.146 -4.028 1.00 1.25 H new ATOM 0 HA3 GLY A 99 4.968 7.467 -5.231 1.00 1.25 H new ATOM 1188 N TYR A 100 5.393 10.430 -6.129 1.00 1.47 N ATOM 1189 CA TYR A 100 5.933 11.345 -7.134 1.00 1.80 C ATOM 1190 C TYR A 100 6.378 10.621 -8.400 1.00 1.69 C ATOM 1191 O TYR A 100 7.349 11.027 -9.037 1.00 2.19 O ATOM 1192 CB TYR A 100 7.118 12.132 -6.572 1.00 2.04 C ATOM 1193 CG TYR A 100 7.907 11.418 -5.497 1.00 1.95 C ATOM 1194 CD1 TYR A 100 8.930 10.543 -5.834 1.00 2.11 C ATOM 1195 CD2 TYR A 100 7.617 11.601 -4.149 1.00 2.40 C ATOM 1196 CE1 TYR A 100 9.645 9.874 -4.862 1.00 2.30 C ATOM 1197 CE2 TYR A 100 8.327 10.934 -3.171 1.00 2.59 C ATOM 1198 CZ TYR A 100 9.372 10.140 -3.510 1.00 2.40 C ATOM 1199 OH TYR A 100 10.048 9.404 -2.561 1.00 2.76 O ATOM 0 H TYR A 100 4.551 10.770 -5.664 1.00 1.47 H new ATOM 0 HA TYR A 100 5.123 12.026 -7.395 1.00 1.80 H new ATOM 0 HB2 TYR A 100 7.792 12.380 -7.392 1.00 2.04 H new ATOM 0 HB3 TYR A 100 6.750 13.074 -6.166 1.00 2.04 H new ATOM 0 HD1 TYR A 100 9.171 10.383 -6.875 1.00 2.11 H new ATOM 0 HD2 TYR A 100 6.824 12.276 -3.863 1.00 2.40 H new ATOM 0 HE1 TYR A 100 10.404 9.156 -5.137 1.00 2.30 H new ATOM 0 HE2 TYR A 100 8.049 11.045 -2.133 1.00 2.59 H new ATOM 0 HH TYR A 100 10.795 9.932 -2.209 1.00 2.76 H new ATOM 1209 N LEU A 101 5.679 9.548 -8.763 1.00 1.42 N ATOM 1210 CA LEU A 101 6.022 8.781 -9.956 1.00 1.38 C ATOM 1211 C LEU A 101 7.422 8.164 -9.854 1.00 1.16 C ATOM 1212 O LEU A 101 7.928 7.589 -10.816 1.00 1.18 O ATOM 1213 CB LEU A 101 5.965 9.701 -11.155 1.00 1.57 C ATOM 1214 CG LEU A 101 6.229 9.047 -12.513 1.00 1.80 C ATOM 1215 CD1 LEU A 101 5.295 7.865 -12.726 1.00 2.20 C ATOM 1216 CD2 LEU A 101 6.062 10.063 -13.633 1.00 2.28 C ATOM 0 H LEU A 101 4.874 9.191 -8.249 1.00 1.42 H new ATOM 0 HA LEU A 101 5.307 7.964 -10.058 1.00 1.38 H new ATOM 0 HB2 LEU A 101 4.981 10.168 -11.184 1.00 1.57 H new ATOM 0 HB3 LEU A 101 6.693 10.500 -11.011 1.00 1.57 H new ATOM 0 HG LEU A 101 7.256 8.682 -12.526 1.00 1.80 H new ATOM 0 HD11 LEU A 101 5.497 7.412 -13.697 1.00 2.20 H new ATOM 0 HD12 LEU A 101 5.457 7.127 -11.940 1.00 2.20 H new ATOM 0 HD13 LEU A 101 4.261 8.208 -12.694 1.00 2.20 H new ATOM 0 HD21 LEU A 101 6.253 9.582 -14.592 1.00 2.28 H new ATOM 0 HD22 LEU A 101 5.045 10.455 -13.620 1.00 2.28 H new ATOM 0 HD23 LEU A 101 6.768 10.881 -13.490 1.00 2.28 H new ATOM 1228 N TYR A 102 8.031 8.266 -8.678 1.00 1.11 N ATOM 1229 CA TYR A 102 9.356 7.709 -8.430 1.00 0.96 C ATOM 1230 C TYR A 102 10.433 8.595 -9.027 1.00 1.03 C ATOM 1231 O TYR A 102 10.225 9.792 -9.226 1.00 1.54 O ATOM 1232 CB TYR A 102 9.488 6.301 -9.010 1.00 0.93 C ATOM 1233 CG TYR A 102 8.224 5.502 -9.032 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.180 5.779 -8.165 1.00 0.95 C ATOM 1235 CD2 TYR A 102 8.059 4.503 -9.964 1.00 0.93 C ATOM 1236 CE1 TYR A 102 6.002 5.084 -8.231 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.893 3.791 -10.035 1.00 1.01 C ATOM 1238 CZ TYR A 102 5.856 4.086 -9.169 1.00 1.06 C ATOM 1239 OH TYR A 102 4.676 3.388 -9.243 1.00 1.25 O ATOM 0 H TYR A 102 7.621 8.736 -7.871 1.00 1.11 H new ATOM 0 HA TYR A 102 9.485 7.658 -7.349 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.868 6.379 -10.029 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.234 5.756 -8.432 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.297 6.556 -7.424 1.00 0.95 H new ATOM 0 HD2 TYR A 102 8.862 4.278 -10.650 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.194 5.316 -7.553 1.00 1.05 H new ATOM 0 HE2 TYR A 102 6.783 3.002 -10.764 1.00 1.01 H new ATOM 0 HH TYR A 102 3.938 3.962 -8.950 1.00 1.25 H new ATOM 1249 N HIS A 103 11.595 8.000 -9.310 1.00 0.77 N ATOM 1250 CA HIS A 103 12.708 8.732 -9.880 1.00 0.89 C ATOM 1251 C HIS A 103 13.419 9.550 -8.803 1.00 0.87 C ATOM 1252 O HIS A 103 14.328 10.327 -9.093 1.00 1.36 O ATOM 1253 CB HIS A 103 12.225 9.620 -11.028 1.00 1.19 C ATOM 1254 CG HIS A 103 13.321 10.081 -11.937 1.00 1.63 C ATOM 1255 ND1 HIS A 103 13.747 9.356 -13.032 1.00 2.23 N ATOM 1256 CD2 HIS A 103 14.080 11.202 -11.913 1.00 2.09 C ATOM 1257 CE1 HIS A 103 14.719 10.012 -13.640 1.00 2.54 C ATOM 1258 NE2 HIS A 103 14.939 11.134 -12.981 1.00 2.39 N ATOM 0 H HIS A 103 11.781 7.010 -9.150 1.00 0.77 H new ATOM 0 HA HIS A 103 13.428 8.021 -10.285 1.00 0.89 H new ATOM 0 HB2 HIS A 103 11.487 9.072 -11.613 1.00 1.19 H new ATOM 0 HB3 HIS A 103 11.719 10.492 -10.613 1.00 1.19 H new ATOM 0 HD2 HIS A 103 14.020 12.001 -11.188 1.00 2.09 H new ATOM 0 HE1 HIS A 103 15.244 9.686 -14.526 1.00 2.54 H new ATOM 0 HE2 HIS A 103 15.636 11.838 -13.226 1.00 2.39 H new ATOM 1267 N GLY A 104 13.011 9.338 -7.550 1.00 0.90 N ATOM 1268 CA GLY A 104 13.617 10.017 -6.431 1.00 0.97 C ATOM 1269 C GLY A 104 14.011 9.017 -5.367 1.00 0.93 C ATOM 1270 O GLY A 104 14.900 8.200 -5.589 1.00 1.07 O ATOM 0 H GLY A 104 12.260 8.696 -7.297 1.00 0.90 H new ATOM 0 HA2 GLY A 104 14.495 10.570 -6.764 1.00 0.97 H new ATOM 0 HA3 GLY A 104 12.920 10.745 -6.016 1.00 0.97 H new ATOM 1274 N ARG A 105 13.346 9.073 -4.219 1.00 0.88 N ATOM 1275 CA ARG A 105 13.621 8.143 -3.126 1.00 0.90 C ATOM 1276 C ARG A 105 12.656 6.945 -3.133 1.00 0.73 C ATOM 1277 O ARG A 105 13.067 5.801 -2.964 1.00 0.92 O ATOM 1278 CB ARG A 105 13.550 8.875 -1.786 1.00 1.06 C ATOM 1279 CG ARG A 105 14.524 8.336 -0.749 1.00 1.51 C ATOM 1280 CD ARG A 105 14.736 9.321 0.389 1.00 1.92 C ATOM 1281 NE ARG A 105 15.313 10.578 -0.077 1.00 2.44 N ATOM 1282 CZ ARG A 105 15.953 11.436 0.712 1.00 3.16 C ATOM 1283 NH1 ARG A 105 16.111 11.167 2.001 1.00 3.59 N ATOM 1284 NH2 ARG A 105 16.439 12.563 0.210 1.00 3.76 N ATOM 0 H ARG A 105 12.612 9.752 -4.019 1.00 0.88 H new ATOM 0 HA ARG A 105 14.627 7.750 -3.271 1.00 0.90 H new ATOM 0 HB2 ARG A 105 13.753 9.934 -1.948 1.00 1.06 H new ATOM 0 HB3 ARG A 105 12.536 8.801 -1.394 1.00 1.06 H new ATOM 0 HG2 ARG A 105 14.146 7.395 -0.350 1.00 1.51 H new ATOM 0 HG3 ARG A 105 15.480 8.119 -1.226 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.783 9.519 0.879 1.00 1.92 H new ATOM 0 HD3 ARG A 105 15.393 8.876 1.137 1.00 1.92 H new ATOM 0 HE ARG A 105 15.220 10.812 -1.065 1.00 2.44 H new ATOM 0 HH11 ARG A 105 15.741 10.300 2.390 1.00 3.59 H new ATOM 0 HH12 ARG A 105 16.602 11.827 2.603 1.00 3.59 H new ATOM 0 HH21 ARG A 105 16.322 12.772 -0.781 1.00 3.76 H new ATOM 0 HH22 ARG A 105 16.930 13.221 0.815 1.00 3.76 H new ATOM 1298 N VAL A 106 11.363 7.240 -3.287 1.00 0.59 N ATOM 1299 CA VAL A 106 10.290 6.231 -3.271 1.00 0.62 C ATOM 1300 C VAL A 106 10.386 5.175 -4.388 1.00 0.67 C ATOM 1301 O VAL A 106 9.729 4.136 -4.310 1.00 0.70 O ATOM 1302 CB VAL A 106 8.894 6.930 -3.312 1.00 0.79 C ATOM 1303 CG1 VAL A 106 7.792 6.020 -3.851 1.00 1.42 C ATOM 1304 CG2 VAL A 106 8.524 7.437 -1.928 1.00 1.76 C ATOM 0 H VAL A 106 11.024 8.192 -3.428 1.00 0.59 H new ATOM 0 HA VAL A 106 10.416 5.683 -2.337 1.00 0.62 H new ATOM 0 HB VAL A 106 8.978 7.769 -4.003 1.00 0.79 H new ATOM 0 HG11 VAL A 106 6.845 6.559 -3.856 1.00 1.42 H new ATOM 0 HG12 VAL A 106 8.039 5.711 -4.867 1.00 1.42 H new ATOM 0 HG13 VAL A 106 7.704 5.139 -3.215 1.00 1.42 H new ATOM 0 HG21 VAL A 106 7.549 7.923 -1.967 1.00 1.76 H new ATOM 0 HG22 VAL A 106 8.484 6.599 -1.232 1.00 1.76 H new ATOM 0 HG23 VAL A 106 9.273 8.153 -1.591 1.00 1.76 H new ATOM 1314 N LYS A 107 11.122 5.457 -5.443 1.00 0.76 N ATOM 1315 CA LYS A 107 11.195 4.551 -6.581 1.00 0.89 C ATOM 1316 C LYS A 107 11.238 3.060 -6.242 1.00 0.75 C ATOM 1317 O LYS A 107 10.367 2.338 -6.677 1.00 0.76 O ATOM 1318 CB LYS A 107 12.383 4.895 -7.503 1.00 1.17 C ATOM 1319 CG LYS A 107 13.407 5.873 -6.937 1.00 1.89 C ATOM 1320 CD LYS A 107 14.021 5.365 -5.650 1.00 2.96 C ATOM 1321 CE LYS A 107 14.976 4.213 -5.907 1.00 3.87 C ATOM 1322 NZ LYS A 107 16.141 4.632 -6.737 1.00 4.87 N ATOM 0 H LYS A 107 11.680 6.305 -5.541 1.00 0.76 H new ATOM 0 HA LYS A 107 10.248 4.715 -7.094 1.00 0.89 H new ATOM 0 HB2 LYS A 107 12.898 3.969 -7.760 1.00 1.17 H new ATOM 0 HB3 LYS A 107 11.989 5.309 -8.431 1.00 1.17 H new ATOM 0 HG2 LYS A 107 14.193 6.041 -7.673 1.00 1.89 H new ATOM 0 HG3 LYS A 107 12.928 6.835 -6.756 1.00 1.89 H new ATOM 0 HD2 LYS A 107 14.553 6.177 -5.154 1.00 2.96 H new ATOM 0 HD3 LYS A 107 13.232 5.040 -4.972 1.00 2.96 H new ATOM 0 HE2 LYS A 107 15.332 3.817 -4.956 1.00 3.87 H new ATOM 0 HE3 LYS A 107 14.444 3.405 -6.410 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 16.918 3.951 -6.614 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 15.861 4.661 -7.738 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 16.458 5.576 -6.438 1.00 4.87 H new ATOM 1336 N ALA A 108 12.238 2.577 -5.534 1.00 0.77 N ATOM 1337 CA ALA A 108 12.338 1.138 -5.265 1.00 0.73 C ATOM 1338 C ALA A 108 11.014 0.473 -4.897 1.00 0.63 C ATOM 1339 O ALA A 108 10.576 -0.454 -5.580 1.00 0.68 O ATOM 1340 CB ALA A 108 13.361 0.870 -4.186 1.00 0.85 C ATOM 0 H ALA A 108 12.988 3.141 -5.135 1.00 0.77 H new ATOM 0 HA ALA A 108 12.653 0.689 -6.207 1.00 0.73 H new ATOM 0 HB1 ALA A 108 13.421 -0.202 -4.000 1.00 0.85 H new ATOM 0 HB2 ALA A 108 14.335 1.238 -4.509 1.00 0.85 H new ATOM 0 HB3 ALA A 108 13.066 1.381 -3.270 1.00 0.85 H new ATOM 1346 N LEU A 109 10.392 0.912 -3.819 1.00 0.70 N ATOM 1347 CA LEU A 109 9.136 0.311 -3.379 1.00 0.80 C ATOM 1348 C LEU A 109 8.060 0.423 -4.460 1.00 0.66 C ATOM 1349 O LEU A 109 7.570 -0.588 -4.990 1.00 0.76 O ATOM 1350 CB LEU A 109 8.667 0.976 -2.084 1.00 1.05 C ATOM 1351 CG LEU A 109 9.473 0.603 -0.834 1.00 1.76 C ATOM 1352 CD1 LEU A 109 10.967 0.636 -1.119 1.00 2.64 C ATOM 1353 CD2 LEU A 109 9.136 1.540 0.314 1.00 2.27 C ATOM 0 H LEU A 109 10.728 1.676 -3.233 1.00 0.70 H new ATOM 0 HA LEU A 109 9.309 -0.749 -3.193 1.00 0.80 H new ATOM 0 HB2 LEU A 109 8.707 2.058 -2.214 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.623 0.713 -1.916 1.00 1.05 H new ATOM 0 HG LEU A 109 9.202 -0.414 -0.549 1.00 1.76 H new ATOM 0 HD11 LEU A 109 11.516 0.368 -0.216 1.00 2.64 H new ATOM 0 HD12 LEU A 109 11.202 -0.075 -1.911 1.00 2.64 H new ATOM 0 HD13 LEU A 109 11.255 1.639 -1.434 1.00 2.64 H new ATOM 0 HD21 LEU A 109 9.717 1.261 1.193 1.00 2.27 H new ATOM 0 HD22 LEU A 109 9.376 2.565 0.030 1.00 2.27 H new ATOM 0 HD23 LEU A 109 8.073 1.467 0.543 1.00 2.27 H new ATOM 1365 N ALA A 110 7.705 1.655 -4.792 1.00 0.56 N ATOM 1366 CA ALA A 110 6.702 1.907 -5.810 1.00 0.60 C ATOM 1367 C ALA A 110 7.130 1.316 -7.160 1.00 0.59 C ATOM 1368 O ALA A 110 6.303 1.121 -8.050 1.00 0.70 O ATOM 1369 CB ALA A 110 6.417 3.403 -5.905 1.00 0.79 C ATOM 0 H ALA A 110 8.099 2.496 -4.369 1.00 0.56 H new ATOM 0 HA ALA A 110 5.775 1.408 -5.526 1.00 0.60 H new ATOM 0 HB1 ALA A 110 5.663 3.582 -6.672 1.00 0.79 H new ATOM 0 HB2 ALA A 110 6.051 3.765 -4.944 1.00 0.79 H new ATOM 0 HB3 ALA A 110 7.333 3.932 -6.167 1.00 0.79 H new ATOM 1375 N ASP A 111 8.427 1.016 -7.300 1.00 0.57 N ATOM 1376 CA ASP A 111 8.959 0.433 -8.524 1.00 0.59 C ATOM 1377 C ASP A 111 8.566 -1.033 -8.613 1.00 0.55 C ATOM 1378 O ASP A 111 8.095 -1.501 -9.642 1.00 0.56 O ATOM 1379 CB ASP A 111 10.488 0.551 -8.590 1.00 0.78 C ATOM 1380 CG ASP A 111 11.075 -0.162 -9.794 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.130 0.451 -10.880 1.00 0.88 O ATOM 1382 OD2 ASP A 111 11.485 -1.334 -9.647 1.00 0.94 O ATOM 0 H ASP A 111 9.125 1.171 -6.573 1.00 0.57 H new ATOM 0 HA ASP A 111 8.536 0.986 -9.363 1.00 0.59 H new ATOM 0 HB2 ASP A 111 10.767 1.604 -8.624 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.921 0.136 -7.680 1.00 0.78 H new ATOM 1387 N ALA A 112 8.765 -1.755 -7.515 1.00 0.61 N ATOM 1388 CA ALA A 112 8.429 -3.172 -7.460 1.00 0.70 C ATOM 1389 C ALA A 112 7.035 -3.415 -8.025 1.00 0.67 C ATOM 1390 O ALA A 112 6.853 -4.216 -8.945 1.00 0.75 O ATOM 1391 CB ALA A 112 8.521 -3.676 -6.024 1.00 0.82 C ATOM 0 H ALA A 112 9.158 -1.381 -6.651 1.00 0.61 H new ATOM 0 HA ALA A 112 9.143 -3.724 -8.071 1.00 0.70 H new ATOM 0 HB1 ALA A 112 8.268 -4.736 -5.993 1.00 0.82 H new ATOM 0 HB2 ALA A 112 9.536 -3.534 -5.653 1.00 0.82 H new ATOM 0 HB3 ALA A 112 7.825 -3.119 -5.397 1.00 0.82 H new ATOM 1397 N ALA A 113 6.055 -2.707 -7.473 1.00 0.64 N ATOM 1398 CA ALA A 113 4.671 -2.841 -7.925 1.00 0.72 C ATOM 1399 C ALA A 113 4.457 -2.204 -9.296 1.00 0.67 C ATOM 1400 O ALA A 113 3.619 -2.661 -10.075 1.00 0.86 O ATOM 1401 CB ALA A 113 3.719 -2.227 -6.909 1.00 0.77 C ATOM 0 H ALA A 113 6.190 -2.037 -6.716 1.00 0.64 H new ATOM 0 HA ALA A 113 4.460 -3.906 -8.017 1.00 0.72 H new ATOM 0 HB1 ALA A 113 2.693 -2.335 -7.260 1.00 0.77 H new ATOM 0 HB2 ALA A 113 3.830 -2.736 -5.952 1.00 0.77 H new ATOM 0 HB3 ALA A 113 3.951 -1.169 -6.786 1.00 0.77 H new ATOM 1407 N ARG A 114 5.198 -1.141 -9.595 1.00 0.57 N ATOM 1408 CA ARG A 114 5.035 -0.465 -10.875 1.00 0.62 C ATOM 1409 C ARG A 114 5.743 -1.197 -12.001 1.00 0.65 C ATOM 1410 O ARG A 114 5.107 -1.656 -12.950 1.00 0.75 O ATOM 1411 CB ARG A 114 5.529 0.970 -10.795 1.00 0.69 C ATOM 1412 CG ARG A 114 5.085 1.828 -11.974 1.00 1.00 C ATOM 1413 CD ARG A 114 6.044 1.707 -13.148 1.00 1.56 C ATOM 1414 NE ARG A 114 5.668 2.582 -14.255 1.00 1.95 N ATOM 1415 CZ ARG A 114 6.377 2.701 -15.373 1.00 2.59 C ATOM 1416 NH1 ARG A 114 7.500 2.011 -15.525 1.00 3.23 N ATOM 1417 NH2 ARG A 114 5.966 3.510 -16.338 1.00 3.01 N ATOM 0 H ARG A 114 5.904 -0.736 -8.980 1.00 0.57 H new ATOM 0 HA ARG A 114 3.968 -0.463 -11.099 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.167 1.420 -9.871 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.618 0.970 -10.745 1.00 0.69 H new ATOM 0 HG2 ARG A 114 4.085 1.527 -12.288 1.00 1.00 H new ATOM 0 HG3 ARG A 114 5.021 2.870 -11.662 1.00 1.00 H new ATOM 0 HD2 ARG A 114 7.053 1.953 -12.818 1.00 1.56 H new ATOM 0 HD3 ARG A 114 6.065 0.674 -13.494 1.00 1.56 H new ATOM 0 HE ARG A 114 4.814 3.132 -14.165 1.00 1.95 H new ATOM 0 HH11 ARG A 114 7.820 1.388 -14.783 1.00 3.23 H new ATOM 0 HH12 ARG A 114 8.043 2.103 -16.383 1.00 3.23 H new ATOM 0 HH21 ARG A 114 5.104 4.043 -16.224 1.00 3.01 H new ATOM 0 HH22 ARG A 114 6.512 3.600 -17.195 1.00 3.01 H new ATOM 1431 N GLU A 115 7.060 -1.315 -11.886 1.00 0.63 N ATOM 1432 CA GLU A 115 7.863 -2.006 -12.887 1.00 0.71 C ATOM 1433 C GLU A 115 7.196 -3.318 -13.275 1.00 0.85 C ATOM 1434 O GLU A 115 7.144 -3.685 -14.450 1.00 1.02 O ATOM 1435 CB GLU A 115 9.266 -2.256 -12.335 1.00 0.67 C ATOM 1436 CG GLU A 115 10.097 -3.229 -13.158 1.00 1.21 C ATOM 1437 CD GLU A 115 10.156 -2.850 -14.625 1.00 1.83 C ATOM 1438 OE1 GLU A 115 10.964 -1.963 -14.977 1.00 1.97 O ATOM 1439 OE2 GLU A 115 9.400 -3.442 -15.422 1.00 2.59 O ATOM 0 H GLU A 115 7.597 -0.939 -11.105 1.00 0.63 H new ATOM 0 HA GLU A 115 7.943 -1.385 -13.780 1.00 0.71 H new ATOM 0 HB2 GLU A 115 9.795 -1.305 -12.275 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.181 -2.639 -11.318 1.00 0.67 H new ATOM 0 HG2 GLU A 115 11.109 -3.267 -12.755 1.00 1.21 H new ATOM 0 HG3 GLU A 115 9.678 -4.231 -13.062 1.00 1.21 H new ATOM 1446 N ALA A 116 6.668 -4.003 -12.273 1.00 0.84 N ATOM 1447 CA ALA A 116 5.975 -5.261 -12.495 1.00 1.03 C ATOM 1448 C ALA A 116 4.766 -5.052 -13.400 1.00 1.11 C ATOM 1449 O ALA A 116 4.542 -5.815 -14.339 1.00 1.28 O ATOM 1450 CB ALA A 116 5.554 -5.877 -11.169 1.00 1.08 C ATOM 0 H ALA A 116 6.706 -3.708 -11.297 1.00 0.84 H new ATOM 0 HA ALA A 116 6.658 -5.950 -12.991 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.036 -6.818 -11.353 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.437 -6.062 -10.557 1.00 1.08 H new ATOM 0 HB3 ALA A 116 4.887 -5.192 -10.645 1.00 1.08 H new ATOM 1456 N GLY A 117 3.992 -4.011 -13.113 1.00 1.01 N ATOM 1457 CA GLY A 117 2.818 -3.720 -13.915 1.00 1.09 C ATOM 1458 C GLY A 117 1.729 -3.054 -13.110 1.00 0.98 C ATOM 1459 O GLY A 117 0.763 -3.703 -12.715 1.00 1.07 O ATOM 0 H GLY A 117 4.156 -3.365 -12.341 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.099 -3.074 -14.747 1.00 1.09 H new ATOM 0 HA3 GLY A 117 2.435 -4.646 -14.345 1.00 1.09 H new ATOM 1463 N LEU A 118 1.896 -1.759 -12.857 1.00 0.99 N ATOM 1464 CA LEU A 118 0.939 -1.003 -12.050 1.00 1.08 C ATOM 1465 C LEU A 118 -0.407 -0.825 -12.746 1.00 0.96 C ATOM 1466 O LEU A 118 -0.593 0.095 -13.543 1.00 1.25 O ATOM 1467 CB LEU A 118 1.510 0.386 -11.749 1.00 1.61 C ATOM 1468 CG LEU A 118 1.342 0.880 -10.310 1.00 2.05 C ATOM 1469 CD1 LEU A 118 2.398 0.273 -9.398 1.00 2.65 C ATOM 1470 CD2 LEU A 118 1.410 2.398 -10.269 1.00 2.48 C ATOM 0 H LEU A 118 2.685 -1.210 -13.199 1.00 0.99 H new ATOM 0 HA LEU A 118 0.776 -1.574 -11.136 1.00 1.08 H new ATOM 0 HB2 LEU A 118 2.573 0.380 -11.989 1.00 1.61 H new ATOM 0 HB3 LEU A 118 1.036 1.105 -12.417 1.00 1.61 H new ATOM 0 HG LEU A 118 0.364 0.561 -9.949 1.00 2.05 H new ATOM 0 HD11 LEU A 118 2.256 0.641 -8.382 1.00 2.65 H new ATOM 0 HD12 LEU A 118 2.306 -0.813 -9.407 1.00 2.65 H new ATOM 0 HD13 LEU A 118 3.390 0.556 -9.751 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.289 2.740 -9.241 1.00 2.48 H new ATOM 0 HD22 LEU A 118 2.376 2.729 -10.651 1.00 2.48 H new ATOM 0 HD23 LEU A 118 0.614 2.815 -10.886 1.00 2.48 H new ATOM 1482 N GLU A 119 -1.359 -1.687 -12.393 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.713 -1.607 -12.929 1.00 0.78 C ATOM 1484 C GLU A 119 -3.728 -1.911 -11.827 1.00 0.72 C ATOM 1485 O GLU A 119 -3.838 -3.051 -11.387 1.00 0.66 O ATOM 1486 CB GLU A 119 -2.890 -2.589 -14.089 1.00 0.84 C ATOM 1487 CG GLU A 119 -1.896 -2.384 -15.222 1.00 1.48 C ATOM 1488 CD GLU A 119 -2.062 -1.044 -15.912 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -3.152 -0.794 -16.469 1.00 2.56 O ATOM 1490 OE2 GLU A 119 -1.103 -0.245 -15.893 1.00 2.85 O ATOM 0 H GLU A 119 -1.214 -2.452 -11.734 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.881 -0.597 -13.302 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.791 -3.606 -13.710 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -3.902 -2.493 -14.483 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -0.882 -2.462 -14.829 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -2.017 -3.182 -15.954 1.00 1.48 H new ATOM 1497 N PHE A 120 -4.480 -0.913 -11.385 1.00 0.85 N ATOM 1498 CA PHE A 120 -5.466 -1.141 -10.333 1.00 0.91 C ATOM 1499 C PHE A 120 -6.234 0.134 -10.004 1.00 1.15 C ATOM 1500 O PHE A 120 -5.946 0.742 -8.951 1.00 1.57 O ATOM 1501 CB PHE A 120 -4.774 -1.682 -9.082 1.00 0.78 C ATOM 1502 CG PHE A 120 -5.573 -2.682 -8.300 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -6.949 -2.775 -8.439 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.934 -3.536 -7.420 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -7.669 -3.702 -7.709 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -5.649 -4.458 -6.692 1.00 1.97 C ATOM 1507 CZ PHE A 120 -7.014 -4.542 -6.833 1.00 1.95 C ATOM 1508 OXT PHE A 120 -7.114 0.518 -10.803 1.00 1.71 O ATOM 0 H PHE A 120 -4.431 0.046 -11.729 1.00 0.85 H new ATOM 0 HA PHE A 120 -6.185 -1.876 -10.694 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -3.831 -2.143 -9.377 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -4.529 -0.844 -8.429 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -7.463 -2.117 -9.124 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -3.862 -3.478 -7.303 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.741 -3.768 -7.824 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -5.137 -5.118 -6.008 1.00 1.97 H new ATOM 0 HZ PHE A 120 -7.573 -5.265 -6.258 1.00 1.95 H new TER 1518 PHE A 120