USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 821 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 50 HIS : no HD1:sc= 0.837 K(o=1.6,f=-6.1!) USER MOD Set 1.2: A 105 CYS SG : rot 180:sc= 0.783 USER MOD Set 2.1: A 87 SER OG : rot 150:sc= 0.284 USER MOD Set 2.2: A 89 GLN : amide:sc= -2.13 K(o=-1.8,f=0.3) USER MOD Set 3.1: A 80 GLN : amide:sc= -2.72 K(o=-2.7,f=-7.4!) USER MOD Set 3.2: A 84 THR OG1 : rot 87:sc=-0.00872 USER MOD Set 4.1: A 44 SER OG : rot 80:sc= 0.56 USER MOD Set 4.2: A 52 THR OG1 : rot -4:sc= 1.23 USER MOD Set 5.1: A 45 LYS NZ :NH3+ 156:sc= 0.466 (180deg=0) USER MOD Set 5.2: A 48 CYS SG : rot 5:sc= -0.393 USER MOD Set 6.1: A 38 ASN : amide:sc= -0.348 K(o=-0.71,f=0.017) USER MOD Set 6.2: A 66 ASN : amide:sc= -0.366 X(o=-0.71,f=-0.73) USER MOD Single : A 41 MET CE :methyl -177:sc= -6.57! (180deg=-7.07!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 70:sc= -0.942 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -0:sc= 0.887! USER MOD Single : A 65 TYR OH : rot -65:sc= 0.962 USER MOD Single : A 72 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.4) USER MOD Single : A 78 SER OG : rot 180:sc= -0.335 USER MOD Single : A 88 ASN : amide:sc= -0.016 K(o=-0.016,f=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 94 ASN : amide:sc= -2.3 X(o=-2.3,f=-2) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.009) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-0.81) USER MOD Single : A 108 THR OG1 : rot -138:sc= -2.76 USER MOD Single : A 110 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.43) USER MOD Single : A 112 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-1.4) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.67) USER MOD Single : A 118 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.7!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 1.563 -0.258 0.484 1.00 21.12 N ATOM 2 CA ALA A 23 2.366 -0.240 -0.733 1.00 14.41 C ATOM 3 C ALA A 23 2.363 -1.604 -1.413 1.00 54.22 C ATOM 4 O ALA A 23 2.672 -1.717 -2.600 1.00 61.43 O ATOM 5 CB ALA A 23 3.789 0.193 -0.421 1.00 5.14 C ATOM 0 HA ALA A 23 1.922 0.480 -1.420 1.00 14.41 H new ATOM 0 HB1 ALA A 23 4.376 0.202 -1.339 1.00 5.14 H new ATOM 0 HB2 ALA A 23 3.778 1.193 0.012 1.00 5.14 H new ATOM 0 HB3 ALA A 23 4.234 -0.505 0.288 1.00 5.14 H new ATOM 11 N ARG A 24 2.013 -2.638 -0.655 1.00 40.32 N ATOM 12 CA ARG A 24 1.973 -3.996 -1.185 1.00 52.31 C ATOM 13 C ARG A 24 1.151 -4.054 -2.469 1.00 51.34 C ATOM 14 O ARG A 24 1.412 -4.875 -3.347 1.00 52.45 O ATOM 15 CB ARG A 24 1.385 -4.954 -0.147 1.00 12.21 C ATOM 16 CG ARG A 24 -0.029 -4.595 0.280 1.00 31.13 C ATOM 17 CD ARG A 24 -1.031 -5.648 -0.168 1.00 24.24 C ATOM 18 NE ARG A 24 -0.694 -6.975 0.340 1.00 4.32 N ATOM 19 CZ ARG A 24 -1.526 -8.011 0.299 1.00 45.12 C ATOM 20 NH1 ARG A 24 -2.736 -7.872 -0.225 1.00 31.53 N ATOM 21 NH2 ARG A 24 -1.146 -9.187 0.781 1.00 3.11 N ATOM 0 H ARG A 24 1.753 -2.561 0.328 1.00 40.32 H new ATOM 0 HA ARG A 24 2.994 -4.301 -1.413 1.00 52.31 H new ATOM 0 HB2 ARG A 24 1.387 -5.965 -0.555 1.00 12.21 H new ATOM 0 HB3 ARG A 24 2.030 -4.964 0.732 1.00 12.21 H new ATOM 0 HG2 ARG A 24 -0.068 -4.493 1.364 1.00 31.13 H new ATOM 0 HG3 ARG A 24 -0.303 -3.628 -0.142 1.00 31.13 H new ATOM 0 HD2 ARG A 24 -2.027 -5.370 0.176 1.00 24.24 H new ATOM 0 HD3 ARG A 24 -1.066 -5.675 -1.257 1.00 24.24 H new ATOM 0 HE ARG A 24 0.230 -7.115 0.749 1.00 4.32 H new ATOM 0 HH11 ARG A 24 -3.030 -6.969 -0.598 1.00 31.53 H new ATOM 0 HH12 ARG A 24 -3.373 -8.668 -0.256 1.00 31.53 H new ATOM 0 HH21 ARG A 24 -0.215 -9.297 1.183 1.00 3.11 H new ATOM 0 HH22 ARG A 24 -1.785 -9.982 0.749 1.00 3.11 H new ATOM 35 N GLU A 25 0.157 -3.176 -2.571 1.00 21.13 N ATOM 36 CA GLU A 25 -0.703 -3.129 -3.747 1.00 13.52 C ATOM 37 C GLU A 25 0.011 -2.457 -4.916 1.00 41.33 C ATOM 38 O GLU A 25 -0.170 -2.841 -6.071 1.00 2.04 O ATOM 39 CB GLU A 25 -1.999 -2.382 -3.429 1.00 72.13 C ATOM 40 CG GLU A 25 -3.054 -3.250 -2.763 1.00 54.25 C ATOM 41 CD GLU A 25 -4.221 -2.442 -2.226 1.00 45.13 C ATOM 42 OE1 GLU A 25 -5.072 -2.022 -3.036 1.00 74.21 O ATOM 43 OE2 GLU A 25 -4.280 -2.231 -0.997 1.00 25.23 O ATOM 0 H GLU A 25 -0.072 -2.488 -1.853 1.00 21.13 H new ATOM 0 HA GLU A 25 -0.944 -4.154 -4.031 1.00 13.52 H new ATOM 0 HB2 GLU A 25 -1.772 -1.538 -2.778 1.00 72.13 H new ATOM 0 HB3 GLU A 25 -2.408 -1.972 -4.352 1.00 72.13 H new ATOM 0 HG2 GLU A 25 -3.424 -3.982 -3.481 1.00 54.25 H new ATOM 0 HG3 GLU A 25 -2.597 -3.808 -1.946 1.00 54.25 H new ATOM 50 N GLU A 26 0.821 -1.449 -4.606 1.00 41.14 N ATOM 51 CA GLU A 26 1.561 -0.722 -5.632 1.00 42.21 C ATOM 52 C GLU A 26 2.517 -1.651 -6.375 1.00 31.05 C ATOM 53 O GLU A 26 2.488 -1.737 -7.603 1.00 62.54 O ATOM 54 CB GLU A 26 2.341 0.436 -5.005 1.00 22.42 C ATOM 55 CG GLU A 26 1.467 1.412 -4.234 1.00 24.20 C ATOM 56 CD GLU A 26 1.443 2.793 -4.860 1.00 61.40 C ATOM 57 OE1 GLU A 26 2.530 3.384 -5.034 1.00 32.02 O ATOM 58 OE2 GLU A 26 0.339 3.282 -5.177 1.00 20.22 O ATOM 0 H GLU A 26 0.981 -1.118 -3.655 1.00 41.14 H new ATOM 0 HA GLU A 26 0.842 -0.322 -6.347 1.00 42.21 H new ATOM 0 HB2 GLU A 26 3.099 0.031 -4.334 1.00 22.42 H new ATOM 0 HB3 GLU A 26 2.868 0.976 -5.792 1.00 22.42 H new ATOM 0 HG2 GLU A 26 0.450 1.022 -4.184 1.00 24.20 H new ATOM 0 HG3 GLU A 26 1.830 1.488 -3.209 1.00 24.20 H new ATOM 65 N LEU A 27 3.365 -2.343 -5.621 1.00 51.15 N ATOM 66 CA LEU A 27 4.331 -3.266 -6.207 1.00 15.03 C ATOM 67 C LEU A 27 3.638 -4.275 -7.117 1.00 42.11 C ATOM 68 O LEU A 27 3.998 -4.422 -8.285 1.00 4.03 O ATOM 69 CB LEU A 27 5.098 -3.999 -5.105 1.00 45.41 C ATOM 70 CG LEU A 27 5.951 -5.185 -5.556 1.00 40.02 C ATOM 71 CD1 LEU A 27 7.407 -4.973 -5.172 1.00 70.52 C ATOM 72 CD2 LEU A 27 5.422 -6.480 -4.957 1.00 12.21 C ATOM 0 H LEU A 27 3.403 -2.282 -4.604 1.00 51.15 H new ATOM 0 HA LEU A 27 5.033 -2.686 -6.807 1.00 15.03 H new ATOM 0 HB2 LEU A 27 5.746 -3.281 -4.602 1.00 45.41 H new ATOM 0 HB3 LEU A 27 4.381 -4.354 -4.365 1.00 45.41 H new ATOM 0 HG LEU A 27 5.891 -5.259 -6.642 1.00 40.02 H new ATOM 0 HD11 LEU A 27 7.998 -5.827 -5.501 1.00 70.52 H new ATOM 0 HD12 LEU A 27 7.781 -4.067 -5.649 1.00 70.52 H new ATOM 0 HD13 LEU A 27 7.487 -4.872 -4.090 1.00 70.52 H new ATOM 0 HD21 LEU A 27 6.041 -7.314 -5.289 1.00 12.21 H new ATOM 0 HD22 LEU A 27 5.451 -6.416 -3.869 1.00 12.21 H new ATOM 0 HD23 LEU A 27 4.394 -6.639 -5.284 1.00 12.21 H new ATOM 84 N ARG A 28 2.641 -4.966 -6.574 1.00 64.13 N ATOM 85 CA ARG A 28 1.897 -5.960 -7.338 1.00 74.41 C ATOM 86 C ARG A 28 1.317 -5.348 -8.609 1.00 12.21 C ATOM 87 O ARG A 28 1.052 -6.051 -9.584 1.00 35.04 O ATOM 88 CB ARG A 28 0.774 -6.553 -6.485 1.00 72.22 C ATOM 89 CG ARG A 28 0.685 -8.069 -6.561 1.00 43.03 C ATOM 90 CD ARG A 28 0.535 -8.546 -7.997 1.00 64.12 C ATOM 91 NE ARG A 28 -0.648 -7.982 -8.641 1.00 4.44 N ATOM 92 CZ ARG A 28 -1.880 -8.439 -8.446 1.00 4.24 C ATOM 93 NH1 ARG A 28 -2.089 -9.461 -7.628 1.00 0.44 N ATOM 94 NH2 ARG A 28 -2.905 -7.871 -9.067 1.00 75.31 N ATOM 0 H ARG A 28 2.330 -4.856 -5.609 1.00 64.13 H new ATOM 0 HA ARG A 28 2.587 -6.755 -7.622 1.00 74.41 H new ATOM 0 HB2 ARG A 28 0.924 -6.258 -5.446 1.00 72.22 H new ATOM 0 HB3 ARG A 28 -0.177 -6.126 -6.803 1.00 72.22 H new ATOM 0 HG2 ARG A 28 1.580 -8.510 -6.121 1.00 43.03 H new ATOM 0 HG3 ARG A 28 -0.164 -8.415 -5.971 1.00 43.03 H new ATOM 0 HD2 ARG A 28 1.423 -8.270 -8.565 1.00 64.12 H new ATOM 0 HD3 ARG A 28 0.472 -9.634 -8.013 1.00 64.12 H new ATOM 0 HE ARG A 28 -0.521 -7.194 -9.276 1.00 4.44 H new ATOM 0 HH11 ARG A 28 -1.303 -9.898 -7.147 1.00 0.44 H new ATOM 0 HH12 ARG A 28 -3.036 -9.810 -7.480 1.00 0.44 H new ATOM 0 HH21 ARG A 28 -2.748 -7.083 -9.695 1.00 75.31 H new ATOM 0 HH22 ARG A 28 -3.851 -8.222 -8.917 1.00 75.31 H new ATOM 108 N ARG A 29 1.121 -4.033 -8.590 1.00 42.20 N ATOM 109 CA ARG A 29 0.571 -3.326 -9.739 1.00 64.33 C ATOM 110 C ARG A 29 1.655 -3.051 -10.778 1.00 54.53 C ATOM 111 O ARG A 29 1.360 -2.829 -11.953 1.00 22.32 O ATOM 112 CB ARG A 29 -0.072 -2.011 -9.296 1.00 43.25 C ATOM 113 CG ARG A 29 -1.554 -1.916 -9.622 1.00 22.33 C ATOM 114 CD ARG A 29 -2.382 -1.656 -8.374 1.00 31.34 C ATOM 115 NE ARG A 29 -3.697 -2.287 -8.450 1.00 13.03 N ATOM 116 CZ ARG A 29 -4.525 -2.388 -7.414 1.00 42.25 C ATOM 117 NH1 ARG A 29 -4.174 -1.902 -6.231 1.00 51.03 N ATOM 118 NH2 ARG A 29 -5.705 -2.975 -7.562 1.00 31.33 N ATOM 0 H ARG A 29 1.335 -3.436 -7.791 1.00 42.20 H new ATOM 0 HA ARG A 29 -0.191 -3.959 -10.193 1.00 64.33 H new ATOM 0 HB2 ARG A 29 0.063 -1.895 -8.221 1.00 43.25 H new ATOM 0 HB3 ARG A 29 0.450 -1.182 -9.774 1.00 43.25 H new ATOM 0 HG2 ARG A 29 -1.719 -1.115 -10.343 1.00 22.33 H new ATOM 0 HG3 ARG A 29 -1.884 -2.842 -10.093 1.00 22.33 H new ATOM 0 HD2 ARG A 29 -1.849 -2.032 -7.500 1.00 31.34 H new ATOM 0 HD3 ARG A 29 -2.503 -0.582 -8.236 1.00 31.34 H new ATOM 0 HE ARG A 29 -3.997 -2.671 -9.346 1.00 13.03 H new ATOM 0 HH11 ARG A 29 -3.267 -1.450 -6.114 1.00 51.03 H new ATOM 0 HH12 ARG A 29 -4.811 -1.981 -5.438 1.00 51.03 H new ATOM 0 HH21 ARG A 29 -5.978 -3.349 -8.471 1.00 31.33 H new ATOM 0 HH22 ARG A 29 -6.340 -3.052 -6.767 1.00 31.33 H new ATOM 132 N ARG A 30 2.907 -3.066 -10.337 1.00 4.21 N ATOM 133 CA ARG A 30 4.035 -2.816 -11.228 1.00 11.34 C ATOM 134 C ARG A 30 4.465 -4.099 -11.933 1.00 10.12 C ATOM 135 O ARG A 30 4.680 -4.111 -13.145 1.00 52.42 O ATOM 136 CB ARG A 30 5.212 -2.232 -10.444 1.00 61.22 C ATOM 137 CG ARG A 30 5.525 -0.788 -10.800 1.00 54.12 C ATOM 138 CD ARG A 30 6.936 -0.405 -10.384 1.00 23.41 C ATOM 139 NE ARG A 30 6.955 0.318 -9.115 1.00 25.43 N ATOM 140 CZ ARG A 30 6.489 1.552 -8.966 1.00 33.15 C ATOM 141 NH1 ARG A 30 5.969 2.198 -10.000 1.00 33.31 N ATOM 142 NH2 ARG A 30 6.542 2.144 -7.779 1.00 20.45 N ATOM 0 H ARG A 30 3.168 -3.249 -9.368 1.00 4.21 H new ATOM 0 HA ARG A 30 3.718 -2.096 -11.983 1.00 11.34 H new ATOM 0 HB2 ARG A 30 4.994 -2.295 -9.378 1.00 61.22 H new ATOM 0 HB3 ARG A 30 6.097 -2.842 -10.626 1.00 61.22 H new ATOM 0 HG2 ARG A 30 5.409 -0.644 -11.874 1.00 54.12 H new ATOM 0 HG3 ARG A 30 4.809 -0.128 -10.311 1.00 54.12 H new ATOM 0 HD2 ARG A 30 7.545 -1.305 -10.298 1.00 23.41 H new ATOM 0 HD3 ARG A 30 7.388 0.213 -11.160 1.00 23.41 H new ATOM 0 HE ARG A 30 7.348 -0.151 -8.299 1.00 25.43 H new ATOM 0 HH11 ARG A 30 5.926 1.747 -10.914 1.00 33.31 H new ATOM 0 HH12 ARG A 30 5.612 3.146 -9.882 1.00 33.31 H new ATOM 0 HH21 ARG A 30 6.941 1.651 -6.980 1.00 20.45 H new ATOM 0 HH22 ARG A 30 6.184 3.092 -7.666 1.00 20.45 H new ATOM 156 N LEU A 31 4.589 -5.177 -11.166 1.00 2.55 N ATOM 157 CA LEU A 31 4.994 -6.464 -11.716 1.00 70.52 C ATOM 158 C LEU A 31 4.093 -6.867 -12.880 1.00 43.03 C ATOM 159 O LEU A 31 4.562 -7.406 -13.883 1.00 44.42 O ATOM 160 CB LEU A 31 4.955 -7.541 -10.630 1.00 21.51 C ATOM 161 CG LEU A 31 5.581 -7.162 -9.288 1.00 32.33 C ATOM 162 CD1 LEU A 31 5.624 -8.367 -8.361 1.00 23.12 C ATOM 163 CD2 LEU A 31 6.977 -6.594 -9.492 1.00 4.34 C ATOM 0 H LEU A 31 4.415 -5.184 -10.161 1.00 2.55 H new ATOM 0 HA LEU A 31 6.014 -6.367 -12.087 1.00 70.52 H new ATOM 0 HB2 LEU A 31 3.915 -7.818 -10.458 1.00 21.51 H new ATOM 0 HB3 LEU A 31 5.463 -8.428 -11.008 1.00 21.51 H new ATOM 0 HG LEU A 31 4.963 -6.394 -8.824 1.00 32.33 H new ATOM 0 HD11 LEU A 31 6.073 -8.079 -7.410 1.00 23.12 H new ATOM 0 HD12 LEU A 31 4.611 -8.730 -8.189 1.00 23.12 H new ATOM 0 HD13 LEU A 31 6.219 -9.157 -8.819 1.00 23.12 H new ATOM 0 HD21 LEU A 31 7.407 -6.330 -8.526 1.00 4.34 H new ATOM 0 HD22 LEU A 31 7.606 -7.340 -9.977 1.00 4.34 H new ATOM 0 HD23 LEU A 31 6.920 -5.704 -10.119 1.00 4.34 H new ATOM 175 N ARG A 32 2.799 -6.600 -12.739 1.00 62.32 N ATOM 176 CA ARG A 32 1.833 -6.934 -13.779 1.00 40.20 C ATOM 177 C ARG A 32 1.876 -5.910 -14.909 1.00 32.11 C ATOM 178 O ARG A 32 1.436 -6.184 -16.027 1.00 25.25 O ATOM 179 CB ARG A 32 0.422 -7.002 -13.191 1.00 4.03 C ATOM 180 CG ARG A 32 -0.449 -8.077 -13.821 1.00 44.12 C ATOM 181 CD ARG A 32 -1.292 -8.793 -12.779 1.00 3.13 C ATOM 182 NE ARG A 32 -2.712 -8.783 -13.122 1.00 23.00 N ATOM 183 CZ ARG A 32 -3.503 -7.731 -12.946 1.00 23.55 C ATOM 184 NH1 ARG A 32 -3.016 -6.609 -12.433 1.00 24.45 N ATOM 185 NH2 ARG A 32 -4.785 -7.800 -13.282 1.00 1.10 N ATOM 0 H ARG A 32 2.395 -6.154 -11.915 1.00 62.32 H new ATOM 0 HA ARG A 32 2.097 -7.910 -14.186 1.00 40.20 H new ATOM 0 HB2 ARG A 32 0.493 -7.186 -12.119 1.00 4.03 H new ATOM 0 HB3 ARG A 32 -0.062 -6.034 -13.317 1.00 4.03 H new ATOM 0 HG2 ARG A 32 -1.100 -7.626 -14.570 1.00 44.12 H new ATOM 0 HG3 ARG A 32 0.181 -8.800 -14.340 1.00 44.12 H new ATOM 0 HD2 ARG A 32 -0.950 -9.823 -12.682 1.00 3.13 H new ATOM 0 HD3 ARG A 32 -1.150 -8.317 -11.809 1.00 3.13 H new ATOM 0 HE ARG A 32 -3.118 -9.631 -13.518 1.00 23.00 H new ATOM 0 HH11 ARG A 32 -2.031 -6.553 -12.173 1.00 24.45 H new ATOM 0 HH12 ARG A 32 -3.626 -5.803 -12.299 1.00 24.45 H new ATOM 0 HH21 ARG A 32 -5.163 -8.662 -13.676 1.00 1.10 H new ATOM 0 HH22 ARG A 32 -5.392 -6.992 -13.146 1.00 1.10 H new ATOM 199 N ASP A 33 2.406 -4.729 -14.611 1.00 24.53 N ATOM 200 CA ASP A 33 2.507 -3.664 -15.601 1.00 41.32 C ATOM 201 C ASP A 33 3.756 -3.836 -16.460 1.00 72.22 C ATOM 202 O ASP A 33 3.746 -3.540 -17.656 1.00 0.33 O ATOM 203 CB ASP A 33 2.532 -2.298 -14.912 1.00 40.12 C ATOM 204 CG ASP A 33 1.141 -1.736 -14.692 1.00 21.23 C ATOM 205 OD1 ASP A 33 0.167 -2.513 -14.774 1.00 34.34 O ATOM 206 OD2 ASP A 33 1.027 -0.520 -14.436 1.00 51.52 O ATOM 0 H ASP A 33 2.773 -4.485 -13.691 1.00 24.53 H new ATOM 0 HA ASP A 33 1.632 -3.720 -16.248 1.00 41.32 H new ATOM 0 HB2 ASP A 33 3.041 -2.388 -13.952 1.00 40.12 H new ATOM 0 HB3 ASP A 33 3.112 -1.600 -15.516 1.00 40.12 H new ATOM 211 N LEU A 34 4.830 -4.316 -15.844 1.00 23.01 N ATOM 212 CA LEU A 34 6.088 -4.528 -16.551 1.00 71.24 C ATOM 213 C LEU A 34 5.869 -5.349 -17.818 1.00 22.31 C ATOM 214 O LEU A 34 6.315 -4.968 -18.901 1.00 21.53 O ATOM 215 CB LEU A 34 7.096 -5.232 -15.641 1.00 62.33 C ATOM 216 CG LEU A 34 8.427 -4.510 -15.427 1.00 52.14 C ATOM 217 CD1 LEU A 34 9.403 -5.401 -14.676 1.00 71.00 C ATOM 218 CD2 LEU A 34 9.017 -4.073 -16.761 1.00 34.55 C ATOM 0 H LEU A 34 4.855 -4.566 -14.855 1.00 23.01 H new ATOM 0 HA LEU A 34 6.485 -3.553 -16.836 1.00 71.24 H new ATOM 0 HB2 LEU A 34 6.630 -5.388 -14.668 1.00 62.33 H new ATOM 0 HB3 LEU A 34 7.303 -6.218 -16.057 1.00 62.33 H new ATOM 0 HG LEU A 34 8.243 -3.620 -14.825 1.00 52.14 H new ATOM 0 HD11 LEU A 34 10.344 -4.870 -14.533 1.00 71.00 H new ATOM 0 HD12 LEU A 34 8.983 -5.663 -13.705 1.00 71.00 H new ATOM 0 HD13 LEU A 34 9.582 -6.310 -15.251 1.00 71.00 H new ATOM 0 HD21 LEU A 34 9.964 -3.561 -16.590 1.00 34.55 H new ATOM 0 HD22 LEU A 34 9.186 -4.948 -17.388 1.00 34.55 H new ATOM 0 HD23 LEU A 34 8.324 -3.397 -17.261 1.00 34.55 H new ATOM 230 N ILE A 35 5.179 -6.475 -17.675 1.00 74.33 N ATOM 231 CA ILE A 35 4.898 -7.348 -18.808 1.00 53.21 C ATOM 232 C ILE A 35 4.217 -6.581 -19.937 1.00 65.11 C ATOM 233 O ILE A 35 4.305 -6.966 -21.103 1.00 32.33 O ATOM 234 CB ILE A 35 4.005 -8.533 -18.398 1.00 63.52 C ATOM 235 CG1 ILE A 35 4.689 -9.361 -17.308 1.00 32.25 C ATOM 236 CG2 ILE A 35 3.687 -9.400 -19.607 1.00 60.42 C ATOM 237 CD1 ILE A 35 3.979 -9.306 -15.973 1.00 54.21 C ATOM 0 H ILE A 35 4.804 -6.804 -16.785 1.00 74.33 H new ATOM 0 HA ILE A 35 5.857 -7.730 -19.157 1.00 53.21 H new ATOM 0 HB ILE A 35 3.069 -8.143 -17.999 1.00 63.52 H new ATOM 0 HG12 ILE A 35 4.750 -10.399 -17.636 1.00 32.25 H new ATOM 0 HG13 ILE A 35 5.712 -9.006 -17.181 1.00 32.25 H new ATOM 0 HG21 ILE A 35 3.055 -10.234 -19.301 1.00 60.42 H new ATOM 0 HG22 ILE A 35 3.164 -8.804 -20.355 1.00 60.42 H new ATOM 0 HG23 ILE A 35 4.614 -9.785 -20.033 1.00 60.42 H new ATOM 0 HD11 ILE A 35 4.519 -9.915 -15.248 1.00 54.21 H new ATOM 0 HD12 ILE A 35 3.941 -8.274 -15.623 1.00 54.21 H new ATOM 0 HD13 ILE A 35 2.964 -9.689 -16.084 1.00 54.21 H new ATOM 249 N GLU A 36 3.542 -5.492 -19.583 1.00 20.13 N ATOM 250 CA GLU A 36 2.848 -4.671 -20.568 1.00 13.35 C ATOM 251 C GLU A 36 3.778 -3.606 -21.142 1.00 25.24 C ATOM 252 O GLU A 36 3.649 -3.212 -22.299 1.00 53.12 O ATOM 253 CB GLU A 36 1.623 -4.005 -19.937 1.00 1.13 C ATOM 254 CG GLU A 36 0.723 -3.308 -20.943 1.00 34.11 C ATOM 255 CD GLU A 36 -0.108 -2.205 -20.316 1.00 52.52 C ATOM 256 OE1 GLU A 36 0.484 -1.209 -19.849 1.00 21.41 O ATOM 257 OE2 GLU A 36 -1.350 -2.337 -20.294 1.00 0.34 O ATOM 0 H GLU A 36 3.461 -5.158 -18.623 1.00 20.13 H new ATOM 0 HA GLU A 36 2.523 -5.321 -21.380 1.00 13.35 H new ATOM 0 HB2 GLU A 36 1.043 -4.760 -19.405 1.00 1.13 H new ATOM 0 HB3 GLU A 36 1.956 -3.278 -19.196 1.00 1.13 H new ATOM 0 HG2 GLU A 36 1.334 -2.888 -21.742 1.00 34.11 H new ATOM 0 HG3 GLU A 36 0.060 -4.042 -21.401 1.00 34.11 H new ATOM 264 N GLY A 37 4.719 -3.146 -20.321 1.00 42.24 N ATOM 265 CA GLY A 37 5.657 -2.132 -20.765 1.00 24.32 C ATOM 266 C GLY A 37 6.711 -2.688 -21.702 1.00 45.31 C ATOM 267 O GLY A 37 7.400 -1.934 -22.389 1.00 4.14 O ATOM 0 H GLY A 37 4.848 -3.457 -19.358 1.00 42.24 H new ATOM 0 HA2 GLY A 37 5.112 -1.333 -21.269 1.00 24.32 H new ATOM 0 HA3 GLY A 37 6.145 -1.688 -19.897 1.00 24.32 H new ATOM 271 N ASN A 38 6.838 -4.010 -21.730 1.00 43.21 N ATOM 272 CA ASN A 38 7.818 -4.666 -22.589 1.00 52.11 C ATOM 273 C ASN A 38 7.237 -5.933 -23.209 1.00 13.33 C ATOM 274 O ASN A 38 6.447 -6.637 -22.581 1.00 14.23 O ATOM 275 CB ASN A 38 9.079 -5.007 -21.792 1.00 34.41 C ATOM 276 CG ASN A 38 10.305 -4.282 -22.310 1.00 21.42 C ATOM 277 OD1 ASN A 38 10.778 -4.551 -23.415 1.00 23.44 O ATOM 278 ND2 ASN A 38 10.827 -3.357 -21.513 1.00 53.30 N ATOM 0 H ASN A 38 6.275 -4.649 -21.168 1.00 43.21 H new ATOM 0 HA ASN A 38 8.079 -3.977 -23.392 1.00 52.11 H new ATOM 0 HB2 ASN A 38 8.924 -4.749 -20.744 1.00 34.41 H new ATOM 0 HB3 ASN A 38 9.252 -6.082 -21.834 1.00 34.41 H new ATOM 0 HD21 ASN A 38 11.653 -2.836 -21.808 1.00 53.30 H new ATOM 0 HD22 ASN A 38 10.402 -3.167 -20.605 1.00 53.30 H new ATOM 285 N ARG A 39 7.633 -6.216 -24.446 1.00 14.53 N ATOM 286 CA ARG A 39 7.150 -7.397 -25.151 1.00 43.51 C ATOM 287 C ARG A 39 7.307 -8.647 -24.289 1.00 12.42 C ATOM 288 O ARG A 39 6.339 -9.367 -24.040 1.00 43.33 O ATOM 289 CB ARG A 39 7.908 -7.575 -26.468 1.00 3.31 C ATOM 290 CG ARG A 39 7.582 -8.873 -27.187 1.00 74.33 C ATOM 291 CD ARG A 39 6.088 -9.010 -27.440 1.00 44.01 C ATOM 292 NE ARG A 39 5.577 -7.939 -28.291 1.00 0.21 N ATOM 293 CZ ARG A 39 5.758 -7.895 -29.606 1.00 64.11 C ATOM 294 NH1 ARG A 39 6.435 -8.858 -30.217 1.00 41.33 N ATOM 295 NH2 ARG A 39 5.263 -6.888 -30.313 1.00 31.22 N ATOM 0 H ARG A 39 8.287 -5.644 -24.980 1.00 14.53 H new ATOM 0 HA ARG A 39 6.091 -7.254 -25.365 1.00 43.51 H new ATOM 0 HB2 ARG A 39 7.678 -6.737 -27.126 1.00 3.31 H new ATOM 0 HB3 ARG A 39 8.979 -7.539 -26.269 1.00 3.31 H new ATOM 0 HG2 ARG A 39 8.118 -8.909 -28.136 1.00 74.33 H new ATOM 0 HG3 ARG A 39 7.930 -9.717 -26.592 1.00 74.33 H new ATOM 0 HD2 ARG A 39 5.887 -9.973 -27.909 1.00 44.01 H new ATOM 0 HD3 ARG A 39 5.557 -9.002 -26.488 1.00 44.01 H new ATOM 0 HE ARG A 39 5.052 -7.183 -27.851 1.00 0.21 H new ATOM 0 HH11 ARG A 39 6.818 -9.634 -29.677 1.00 41.33 H new ATOM 0 HH12 ARG A 39 6.573 -8.823 -31.227 1.00 41.33 H new ATOM 0 HH21 ARG A 39 4.742 -6.145 -29.847 1.00 31.22 H new ATOM 0 HH22 ARG A 39 5.403 -6.856 -31.323 1.00 31.22 H new ATOM 309 N VAL A 40 8.531 -8.898 -23.835 1.00 52.30 N ATOM 310 CA VAL A 40 8.814 -10.059 -23.001 1.00 35.44 C ATOM 311 C VAL A 40 9.227 -9.638 -21.595 1.00 72.10 C ATOM 312 O VAL A 40 9.973 -8.676 -21.419 1.00 3.40 O ATOM 313 CB VAL A 40 9.926 -10.932 -23.612 1.00 44.33 C ATOM 314 CG1 VAL A 40 10.450 -11.926 -22.586 1.00 51.43 C ATOM 315 CG2 VAL A 40 9.418 -11.651 -24.853 1.00 34.45 C ATOM 0 H VAL A 40 9.343 -8.312 -24.031 1.00 52.30 H new ATOM 0 HA VAL A 40 7.894 -10.642 -22.947 1.00 35.44 H new ATOM 0 HB VAL A 40 10.751 -10.284 -23.908 1.00 44.33 H new ATOM 0 HG11 VAL A 40 11.235 -12.534 -23.036 1.00 51.43 H new ATOM 0 HG12 VAL A 40 10.855 -11.386 -21.730 1.00 51.43 H new ATOM 0 HG13 VAL A 40 9.636 -12.571 -22.256 1.00 51.43 H new ATOM 0 HG21 VAL A 40 10.217 -12.263 -25.271 1.00 34.45 H new ATOM 0 HG22 VAL A 40 8.575 -12.288 -24.585 1.00 34.45 H new ATOM 0 HG23 VAL A 40 9.097 -10.918 -25.593 1.00 34.45 H new ATOM 325 N MET A 41 8.738 -10.367 -20.597 1.00 74.41 N ATOM 326 CA MET A 41 9.058 -10.070 -19.206 1.00 53.23 C ATOM 327 C MET A 41 9.499 -11.330 -18.469 1.00 63.04 C ATOM 328 O MET A 41 8.788 -12.336 -18.458 1.00 0.34 O ATOM 329 CB MET A 41 7.848 -9.451 -18.503 1.00 22.54 C ATOM 330 CG MET A 41 8.152 -8.125 -17.827 1.00 0.54 C ATOM 331 SD MET A 41 8.722 -6.867 -18.987 1.00 34.44 S ATOM 332 CE MET A 41 10.349 -6.513 -18.330 1.00 24.44 C ATOM 0 H MET A 41 8.119 -11.167 -20.726 1.00 74.41 H new ATOM 0 HA MET A 41 9.881 -9.356 -19.193 1.00 53.23 H new ATOM 0 HB2 MET A 41 7.051 -9.304 -19.232 1.00 22.54 H new ATOM 0 HB3 MET A 41 7.473 -10.152 -17.757 1.00 22.54 H new ATOM 0 HG2 MET A 41 7.256 -7.767 -17.320 1.00 0.54 H new ATOM 0 HG3 MET A 41 8.912 -8.278 -17.061 1.00 0.54 H new ATOM 0 HE1 MET A 41 10.809 -5.713 -18.910 1.00 24.44 H new ATOM 0 HE2 MET A 41 10.261 -6.203 -17.289 1.00 24.44 H new ATOM 0 HE3 MET A 41 10.969 -7.408 -18.391 1.00 24.44 H new ATOM 342 N ILE A 42 10.677 -11.269 -17.856 1.00 34.33 N ATOM 343 CA ILE A 42 11.212 -12.406 -17.116 1.00 15.20 C ATOM 344 C ILE A 42 11.818 -11.962 -15.789 1.00 63.34 C ATOM 345 O ILE A 42 12.467 -10.918 -15.709 1.00 53.00 O ATOM 346 CB ILE A 42 12.281 -13.155 -17.931 1.00 62.45 C ATOM 347 CG1 ILE A 42 13.383 -12.191 -18.377 1.00 23.13 C ATOM 348 CG2 ILE A 42 11.649 -13.836 -19.136 1.00 72.21 C ATOM 349 CD1 ILE A 42 14.779 -12.749 -18.205 1.00 51.30 C ATOM 0 H ILE A 42 11.278 -10.445 -17.857 1.00 34.33 H new ATOM 0 HA ILE A 42 10.376 -13.079 -16.924 1.00 15.20 H new ATOM 0 HB ILE A 42 12.728 -13.921 -17.297 1.00 62.45 H new ATOM 0 HG12 ILE A 42 13.229 -11.936 -19.425 1.00 23.13 H new ATOM 0 HG13 ILE A 42 13.297 -11.265 -17.808 1.00 23.13 H new ATOM 0 HG21 ILE A 42 12.418 -14.361 -19.702 1.00 72.21 H new ATOM 0 HG22 ILE A 42 10.897 -14.549 -18.798 1.00 72.21 H new ATOM 0 HG23 ILE A 42 11.179 -13.086 -19.772 1.00 72.21 H new ATOM 0 HD11 ILE A 42 15.509 -12.013 -18.541 1.00 51.30 H new ATOM 0 HD12 ILE A 42 14.952 -12.978 -17.154 1.00 51.30 H new ATOM 0 HD13 ILE A 42 14.883 -13.659 -18.796 1.00 51.30 H new ATOM 361 N PHE A 43 11.606 -12.763 -14.751 1.00 20.05 N ATOM 362 CA PHE A 43 12.133 -12.454 -13.426 1.00 15.22 C ATOM 363 C PHE A 43 13.110 -13.531 -12.964 1.00 41.44 C ATOM 364 O PHE A 43 12.951 -14.708 -13.288 1.00 23.41 O ATOM 365 CB PHE A 43 10.989 -12.320 -12.418 1.00 24.21 C ATOM 366 CG PHE A 43 10.101 -11.136 -12.673 1.00 1.30 C ATOM 367 CD1 PHE A 43 9.321 -11.072 -13.817 1.00 44.23 C ATOM 368 CD2 PHE A 43 10.044 -10.087 -11.769 1.00 22.42 C ATOM 369 CE1 PHE A 43 8.504 -9.983 -14.054 1.00 33.50 C ATOM 370 CE2 PHE A 43 9.228 -8.997 -12.001 1.00 10.51 C ATOM 371 CZ PHE A 43 8.456 -8.945 -13.144 1.00 64.22 C ATOM 0 H PHE A 43 11.073 -13.631 -14.801 1.00 20.05 H new ATOM 0 HA PHE A 43 12.668 -11.506 -13.487 1.00 15.22 H new ATOM 0 HB2 PHE A 43 10.386 -13.228 -12.442 1.00 24.21 H new ATOM 0 HB3 PHE A 43 11.407 -12.241 -11.414 1.00 24.21 H new ATOM 0 HD1 PHE A 43 9.352 -11.882 -14.531 1.00 44.23 H new ATOM 0 HD2 PHE A 43 10.645 -10.122 -10.872 1.00 22.42 H new ATOM 0 HE1 PHE A 43 7.903 -9.944 -14.951 1.00 33.50 H new ATOM 0 HE2 PHE A 43 9.194 -8.186 -11.289 1.00 10.51 H new ATOM 0 HZ PHE A 43 7.816 -8.095 -13.326 1.00 64.22 H new ATOM 381 N SER A 44 14.120 -13.119 -12.206 1.00 64.11 N ATOM 382 CA SER A 44 15.126 -14.046 -11.702 1.00 61.52 C ATOM 383 C SER A 44 15.735 -13.535 -10.401 1.00 13.41 C ATOM 384 O SER A 44 15.224 -12.597 -9.789 1.00 35.13 O ATOM 385 CB SER A 44 16.226 -14.255 -12.745 1.00 72.53 C ATOM 386 OG SER A 44 16.451 -15.635 -12.980 1.00 5.54 O ATOM 0 H SER A 44 14.264 -12.148 -11.927 1.00 64.11 H new ATOM 0 HA SER A 44 14.637 -14.999 -11.503 1.00 61.52 H new ATOM 0 HB2 SER A 44 15.945 -13.765 -13.677 1.00 72.53 H new ATOM 0 HB3 SER A 44 17.149 -13.786 -12.404 1.00 72.53 H new ATOM 0 HG SER A 44 15.759 -15.981 -13.582 1.00 5.54 H new ATOM 392 N LYS A 45 16.832 -14.157 -9.982 1.00 71.22 N ATOM 393 CA LYS A 45 17.513 -13.766 -8.754 1.00 4.22 C ATOM 394 C LYS A 45 19.027 -13.779 -8.944 1.00 61.21 C ATOM 395 O LYS A 45 19.520 -13.916 -10.063 1.00 1.02 O ATOM 396 CB LYS A 45 17.123 -14.703 -7.609 1.00 65.22 C ATOM 397 CG LYS A 45 15.748 -14.419 -7.031 1.00 55.34 C ATOM 398 CD LYS A 45 15.753 -14.497 -5.514 1.00 65.34 C ATOM 399 CE LYS A 45 14.948 -15.688 -5.015 1.00 13.35 C ATOM 400 NZ LYS A 45 15.579 -16.324 -3.825 1.00 51.24 N ATOM 0 H LYS A 45 17.269 -14.935 -10.476 1.00 71.22 H new ATOM 0 HA LYS A 45 17.205 -12.751 -8.504 1.00 4.22 H new ATOM 0 HB2 LYS A 45 17.152 -15.732 -7.967 1.00 65.22 H new ATOM 0 HB3 LYS A 45 17.865 -14.621 -6.815 1.00 65.22 H new ATOM 0 HG2 LYS A 45 15.418 -13.428 -7.344 1.00 55.34 H new ATOM 0 HG3 LYS A 45 15.030 -15.135 -7.431 1.00 55.34 H new ATOM 0 HD2 LYS A 45 16.780 -14.574 -5.156 1.00 65.34 H new ATOM 0 HD3 LYS A 45 15.339 -13.577 -5.100 1.00 65.34 H new ATOM 0 HE2 LYS A 45 13.939 -15.364 -4.761 1.00 13.35 H new ATOM 0 HE3 LYS A 45 14.855 -16.424 -5.814 1.00 13.35 H new ATOM 0 HZ1 LYS A 45 14.855 -16.833 -3.279 1.00 51.24 H new ATOM 0 HZ2 LYS A 45 16.312 -16.993 -4.137 1.00 51.24 H new ATOM 0 HZ3 LYS A 45 16.011 -15.591 -3.228 1.00 51.24 H new ATOM 414 N SER A 46 19.758 -13.638 -7.843 1.00 31.31 N ATOM 415 CA SER A 46 21.215 -13.632 -7.889 1.00 4.14 C ATOM 416 C SER A 46 21.760 -15.049 -8.033 1.00 61.45 C ATOM 417 O SER A 46 22.555 -15.332 -8.930 1.00 70.41 O ATOM 418 CB SER A 46 21.784 -12.981 -6.625 1.00 70.22 C ATOM 419 OG SER A 46 23.199 -13.054 -6.607 1.00 71.41 O ATOM 0 H SER A 46 19.365 -13.526 -6.908 1.00 31.31 H new ATOM 0 HA SER A 46 21.524 -13.052 -8.759 1.00 4.14 H new ATOM 0 HB2 SER A 46 21.470 -11.938 -6.576 1.00 70.22 H new ATOM 0 HB3 SER A 46 21.380 -13.477 -5.743 1.00 70.22 H new ATOM 0 HG SER A 46 23.538 -12.630 -5.791 1.00 71.41 H new ATOM 425 N TYR A 47 21.327 -15.937 -7.145 1.00 10.13 N ATOM 426 CA TYR A 47 21.772 -17.325 -7.171 1.00 50.11 C ATOM 427 C TYR A 47 20.583 -18.279 -7.117 1.00 64.24 C ATOM 428 O TYR A 47 20.377 -18.976 -6.124 1.00 61.41 O ATOM 429 CB TYR A 47 22.715 -17.602 -5.999 1.00 44.23 C ATOM 430 CG TYR A 47 22.129 -17.246 -4.652 1.00 43.23 C ATOM 431 CD1 TYR A 47 21.954 -15.919 -4.278 1.00 24.43 C ATOM 432 CD2 TYR A 47 21.750 -18.235 -3.754 1.00 14.32 C ATOM 433 CE1 TYR A 47 21.419 -15.589 -3.048 1.00 3.14 C ATOM 434 CE2 TYR A 47 21.213 -17.914 -2.522 1.00 43.32 C ATOM 435 CZ TYR A 47 21.050 -16.590 -2.174 1.00 12.44 C ATOM 436 OH TYR A 47 20.516 -16.266 -0.947 1.00 42.31 O ATOM 0 H TYR A 47 20.668 -15.720 -6.398 1.00 10.13 H new ATOM 0 HA TYR A 47 22.306 -17.491 -8.106 1.00 50.11 H new ATOM 0 HB2 TYR A 47 22.983 -18.659 -6.001 1.00 44.23 H new ATOM 0 HB3 TYR A 47 23.637 -17.039 -6.145 1.00 44.23 H new ATOM 0 HD1 TYR A 47 22.241 -15.133 -4.960 1.00 24.43 H new ATOM 0 HD2 TYR A 47 21.877 -19.273 -4.023 1.00 14.32 H new ATOM 0 HE1 TYR A 47 21.290 -14.553 -2.772 1.00 3.14 H new ATOM 0 HE2 TYR A 47 20.923 -18.696 -1.836 1.00 43.32 H new ATOM 0 HH TYR A 47 20.309 -17.087 -0.453 1.00 42.31 H new ATOM 446 N CYS A 48 19.806 -18.305 -8.194 1.00 2.01 N ATOM 447 CA CYS A 48 18.637 -19.174 -8.273 1.00 33.24 C ATOM 448 C CYS A 48 18.515 -19.799 -9.659 1.00 13.13 C ATOM 449 O CYS A 48 18.111 -19.151 -10.625 1.00 22.42 O ATOM 450 CB CYS A 48 17.368 -18.387 -7.941 1.00 53.13 C ATOM 451 SG CYS A 48 17.267 -17.839 -6.221 1.00 72.00 S ATOM 0 H CYS A 48 19.964 -17.734 -9.025 1.00 2.01 H new ATOM 0 HA CYS A 48 18.761 -19.975 -7.544 1.00 33.24 H new ATOM 0 HB2 CYS A 48 17.313 -17.515 -8.593 1.00 53.13 H new ATOM 0 HB3 CYS A 48 16.500 -19.007 -8.165 1.00 53.13 H new ATOM 0 HG CYS A 48 18.370 -18.143 -5.603 1.00 72.00 H new ATOM 457 N PRO A 49 18.873 -21.087 -9.760 1.00 24.52 N ATOM 458 CA PRO A 49 18.815 -21.828 -11.024 1.00 34.12 C ATOM 459 C PRO A 49 17.382 -22.089 -11.476 1.00 61.20 C ATOM 460 O PRO A 49 16.434 -21.893 -10.714 1.00 52.32 O ATOM 461 CB PRO A 49 19.520 -23.146 -10.697 1.00 23.04 C ATOM 462 CG PRO A 49 19.353 -23.310 -9.226 1.00 24.24 C ATOM 463 CD PRO A 49 19.364 -21.920 -8.650 1.00 61.32 C ATOM 0 HA PRO A 49 19.276 -21.275 -11.842 1.00 34.12 H new ATOM 0 HB2 PRO A 49 19.075 -23.979 -11.241 1.00 23.04 H new ATOM 0 HB3 PRO A 49 20.574 -23.111 -10.974 1.00 23.04 H new ATOM 0 HG2 PRO A 49 18.419 -23.821 -8.994 1.00 24.24 H new ATOM 0 HG3 PRO A 49 20.159 -23.913 -8.807 1.00 24.24 H new ATOM 0 HD2 PRO A 49 18.720 -21.843 -7.774 1.00 61.32 H new ATOM 0 HD3 PRO A 49 20.365 -21.623 -8.337 1.00 61.32 H new ATOM 471 N HIS A 50 17.231 -22.534 -12.720 1.00 35.23 N ATOM 472 CA HIS A 50 15.912 -22.824 -13.273 1.00 35.35 C ATOM 473 C HIS A 50 15.195 -21.537 -13.669 1.00 70.01 C ATOM 474 O HIS A 50 14.675 -21.422 -14.779 1.00 70.24 O ATOM 475 CB HIS A 50 15.070 -23.599 -12.259 1.00 75.41 C ATOM 476 CG HIS A 50 14.017 -24.460 -12.888 1.00 2.41 C ATOM 477 ND1 HIS A 50 14.256 -25.261 -13.984 1.00 64.03 N ATOM 478 CD2 HIS A 50 12.714 -24.641 -12.567 1.00 70.11 C ATOM 479 CE1 HIS A 50 13.145 -25.898 -14.311 1.00 45.23 C ATOM 480 NE2 HIS A 50 12.196 -25.539 -13.468 1.00 34.34 N ATOM 0 H HIS A 50 18.005 -22.701 -13.363 1.00 35.23 H new ATOM 0 HA HIS A 50 16.045 -23.435 -14.166 1.00 35.35 H new ATOM 0 HB2 HIS A 50 15.728 -24.225 -11.656 1.00 75.41 H new ATOM 0 HB3 HIS A 50 14.592 -22.893 -11.580 1.00 75.41 H new ATOM 0 HD2 HIS A 50 12.182 -24.168 -11.755 1.00 70.11 H new ATOM 0 HE1 HIS A 50 13.033 -26.594 -15.129 1.00 45.23 H new ATOM 0 HE2 HIS A 50 11.233 -25.874 -13.483 1.00 34.34 H new ATOM 488 N SER A 51 15.170 -20.573 -12.755 1.00 54.52 N ATOM 489 CA SER A 51 14.513 -19.296 -13.009 1.00 34.43 C ATOM 490 C SER A 51 15.343 -18.436 -13.955 1.00 50.35 C ATOM 491 O SER A 51 14.807 -17.608 -14.694 1.00 34.30 O ATOM 492 CB SER A 51 14.279 -18.549 -11.693 1.00 44.05 C ATOM 493 OG SER A 51 14.940 -19.193 -10.618 1.00 15.30 O ATOM 0 H SER A 51 15.597 -20.652 -11.832 1.00 54.52 H new ATOM 0 HA SER A 51 13.551 -19.497 -13.481 1.00 34.43 H new ATOM 0 HB2 SER A 51 14.639 -17.524 -11.784 1.00 44.05 H new ATOM 0 HB3 SER A 51 13.210 -18.495 -11.487 1.00 44.05 H new ATOM 0 HG SER A 51 15.909 -19.085 -10.718 1.00 15.30 H new ATOM 499 N THR A 52 16.657 -18.637 -13.929 1.00 15.42 N ATOM 500 CA THR A 52 17.563 -17.880 -14.784 1.00 3.12 C ATOM 501 C THR A 52 17.687 -18.524 -16.160 1.00 3.43 C ATOM 502 O THR A 52 17.736 -17.831 -17.177 1.00 61.31 O ATOM 503 CB THR A 52 18.964 -17.766 -14.154 1.00 70.23 C ATOM 504 OG1 THR A 52 18.933 -16.854 -13.051 1.00 33.02 O ATOM 505 CG2 THR A 52 19.982 -17.292 -15.181 1.00 34.10 C ATOM 0 H THR A 52 17.117 -19.318 -13.325 1.00 15.42 H new ATOM 0 HA THR A 52 17.138 -16.882 -14.891 1.00 3.12 H new ATOM 0 HB THR A 52 19.260 -18.754 -13.800 1.00 70.23 H new ATOM 0 HG1 THR A 52 18.043 -16.449 -12.986 1.00 33.02 H new ATOM 0 HG21 THR A 52 20.964 -17.219 -14.713 1.00 34.10 H new ATOM 0 HG22 THR A 52 20.025 -18.003 -16.006 1.00 34.10 H new ATOM 0 HG23 THR A 52 19.687 -16.314 -15.561 1.00 34.10 H new ATOM 513 N ARG A 53 17.737 -19.852 -16.185 1.00 13.41 N ATOM 514 CA ARG A 53 17.856 -20.588 -17.437 1.00 41.34 C ATOM 515 C ARG A 53 16.811 -20.118 -18.445 1.00 22.51 C ATOM 516 O ARG A 53 17.112 -19.927 -19.624 1.00 73.51 O ATOM 517 CB ARG A 53 17.702 -22.089 -17.188 1.00 34.02 C ATOM 518 CG ARG A 53 16.757 -22.774 -18.161 1.00 71.12 C ATOM 519 CD ARG A 53 16.707 -24.276 -17.927 1.00 22.14 C ATOM 520 NE ARG A 53 16.753 -24.609 -16.505 1.00 62.53 N ATOM 521 CZ ARG A 53 17.874 -24.894 -15.852 1.00 64.13 C ATOM 522 NH1 ARG A 53 19.037 -24.884 -16.490 1.00 53.22 N ATOM 523 NH2 ARG A 53 17.835 -25.187 -14.559 1.00 63.41 N ATOM 0 H ARG A 53 17.697 -20.440 -15.352 1.00 13.41 H new ATOM 0 HA ARG A 53 18.846 -20.396 -17.850 1.00 41.34 H new ATOM 0 HB2 ARG A 53 18.682 -22.562 -17.253 1.00 34.02 H new ATOM 0 HB3 ARG A 53 17.339 -22.245 -16.172 1.00 34.02 H new ATOM 0 HG2 ARG A 53 15.757 -22.355 -18.054 1.00 71.12 H new ATOM 0 HG3 ARG A 53 17.079 -22.575 -19.183 1.00 71.12 H new ATOM 0 HD2 ARG A 53 15.795 -24.681 -18.365 1.00 22.14 H new ATOM 0 HD3 ARG A 53 17.544 -24.751 -18.438 1.00 22.14 H new ATOM 0 HE ARG A 53 15.876 -24.623 -15.985 1.00 62.53 H new ATOM 0 HH11 ARG A 53 19.072 -24.657 -17.484 1.00 53.22 H new ATOM 0 HH12 ARG A 53 19.897 -25.103 -15.987 1.00 53.22 H new ATOM 0 HH21 ARG A 53 16.943 -25.194 -14.064 1.00 63.41 H new ATOM 0 HH22 ARG A 53 18.697 -25.406 -14.059 1.00 63.41 H new ATOM 537 N VAL A 54 15.582 -19.935 -17.974 1.00 74.32 N ATOM 538 CA VAL A 54 14.492 -19.489 -18.833 1.00 33.11 C ATOM 539 C VAL A 54 14.888 -18.245 -19.621 1.00 32.11 C ATOM 540 O VAL A 54 14.400 -18.015 -20.727 1.00 32.10 O ATOM 541 CB VAL A 54 13.222 -19.183 -18.016 1.00 25.21 C ATOM 542 CG1 VAL A 54 13.413 -17.925 -17.183 1.00 51.52 C ATOM 543 CG2 VAL A 54 12.018 -19.047 -18.936 1.00 35.24 C ATOM 0 H VAL A 54 15.316 -20.089 -17.001 1.00 74.32 H new ATOM 0 HA VAL A 54 14.281 -20.304 -19.526 1.00 33.11 H new ATOM 0 HB VAL A 54 13.038 -20.015 -17.336 1.00 25.21 H new ATOM 0 HG11 VAL A 54 12.506 -17.725 -16.613 1.00 51.52 H new ATOM 0 HG12 VAL A 54 14.249 -18.066 -16.497 1.00 51.52 H new ATOM 0 HG13 VAL A 54 13.622 -17.081 -17.841 1.00 51.52 H new ATOM 0 HG21 VAL A 54 11.129 -18.831 -18.343 1.00 35.24 H new ATOM 0 HG22 VAL A 54 12.189 -18.234 -19.642 1.00 35.24 H new ATOM 0 HG23 VAL A 54 11.871 -19.978 -19.483 1.00 35.24 H new ATOM 553 N LYS A 55 15.776 -17.443 -19.042 1.00 71.52 N ATOM 554 CA LYS A 55 16.240 -16.222 -19.690 1.00 24.42 C ATOM 555 C LYS A 55 17.145 -16.545 -20.875 1.00 33.43 C ATOM 556 O LYS A 55 17.135 -15.841 -21.884 1.00 42.23 O ATOM 557 CB LYS A 55 16.991 -15.343 -18.687 1.00 13.52 C ATOM 558 CG LYS A 55 18.501 -15.489 -18.760 1.00 14.12 C ATOM 559 CD LYS A 55 19.188 -14.761 -17.617 1.00 20.42 C ATOM 560 CE LYS A 55 20.670 -15.095 -17.555 1.00 1.44 C ATOM 561 NZ LYS A 55 21.503 -14.040 -18.196 1.00 75.51 N ATOM 0 H LYS A 55 16.188 -17.617 -18.125 1.00 71.52 H new ATOM 0 HA LYS A 55 15.368 -15.681 -20.058 1.00 24.42 H new ATOM 0 HB2 LYS A 55 16.727 -14.300 -18.862 1.00 13.52 H new ATOM 0 HB3 LYS A 55 16.659 -15.592 -17.679 1.00 13.52 H new ATOM 0 HG2 LYS A 55 18.767 -16.546 -18.732 1.00 14.12 H new ATOM 0 HG3 LYS A 55 18.860 -15.095 -19.711 1.00 14.12 H new ATOM 0 HD2 LYS A 55 19.061 -13.685 -17.741 1.00 20.42 H new ATOM 0 HD3 LYS A 55 18.713 -15.032 -16.674 1.00 20.42 H new ATOM 0 HE2 LYS A 55 20.972 -15.214 -16.515 1.00 1.44 H new ATOM 0 HE3 LYS A 55 20.848 -16.049 -18.050 1.00 1.44 H new ATOM 0 HZ1 LYS A 55 22.507 -14.304 -18.133 1.00 75.51 H new ATOM 0 HZ2 LYS A 55 21.232 -13.943 -19.195 1.00 75.51 H new ATOM 0 HZ3 LYS A 55 21.352 -13.134 -17.708 1.00 75.51 H new ATOM 575 N GLU A 56 17.924 -17.614 -20.746 1.00 70.10 N ATOM 576 CA GLU A 56 18.833 -18.030 -21.808 1.00 11.42 C ATOM 577 C GLU A 56 18.061 -18.599 -22.993 1.00 31.40 C ATOM 578 O GLU A 56 18.585 -18.693 -24.104 1.00 61.21 O ATOM 579 CB GLU A 56 19.825 -19.069 -21.283 1.00 31.43 C ATOM 580 CG GLU A 56 21.278 -18.715 -21.549 1.00 10.44 C ATOM 581 CD GLU A 56 22.185 -19.930 -21.546 1.00 4.11 C ATOM 582 OE1 GLU A 56 21.884 -20.898 -22.274 1.00 43.30 O ATOM 583 OE2 GLU A 56 23.198 -19.911 -20.814 1.00 74.23 O ATOM 0 H GLU A 56 17.944 -18.208 -19.917 1.00 70.10 H new ATOM 0 HA GLU A 56 19.384 -17.152 -22.145 1.00 11.42 H new ATOM 0 HB2 GLU A 56 19.680 -19.187 -20.209 1.00 31.43 H new ATOM 0 HB3 GLU A 56 19.605 -20.033 -21.742 1.00 31.43 H new ATOM 0 HG2 GLU A 56 21.355 -18.212 -22.513 1.00 10.44 H new ATOM 0 HG3 GLU A 56 21.620 -18.009 -20.792 1.00 10.44 H new ATOM 590 N LEU A 57 16.812 -18.980 -22.750 1.00 33.12 N ATOM 591 CA LEU A 57 15.965 -19.542 -23.797 1.00 52.40 C ATOM 592 C LEU A 57 15.496 -18.456 -24.760 1.00 32.14 C ATOM 593 O LEU A 57 15.725 -18.541 -25.966 1.00 42.25 O ATOM 594 CB LEU A 57 14.757 -20.249 -23.179 1.00 53.32 C ATOM 595 CG LEU A 57 13.581 -20.514 -24.120 1.00 30.11 C ATOM 596 CD1 LEU A 57 14.057 -21.214 -25.383 1.00 60.32 C ATOM 597 CD2 LEU A 57 12.514 -21.342 -23.419 1.00 62.40 C ATOM 0 H LEU A 57 16.363 -18.910 -21.837 1.00 33.12 H new ATOM 0 HA LEU A 57 16.555 -20.267 -24.357 1.00 52.40 H new ATOM 0 HB2 LEU A 57 15.090 -21.202 -22.768 1.00 53.32 H new ATOM 0 HB3 LEU A 57 14.399 -19.649 -22.342 1.00 53.32 H new ATOM 0 HG LEU A 57 13.142 -19.557 -24.402 1.00 30.11 H new ATOM 0 HD11 LEU A 57 13.207 -21.395 -26.041 1.00 60.32 H new ATOM 0 HD12 LEU A 57 14.785 -20.585 -25.895 1.00 60.32 H new ATOM 0 HD13 LEU A 57 14.520 -22.165 -25.119 1.00 60.32 H new ATOM 0 HD21 LEU A 57 11.685 -21.521 -24.103 1.00 62.40 H new ATOM 0 HD22 LEU A 57 12.940 -22.296 -23.107 1.00 62.40 H new ATOM 0 HD23 LEU A 57 12.152 -20.803 -22.543 1.00 62.40 H new ATOM 609 N PHE A 58 14.840 -17.436 -24.217 1.00 41.53 N ATOM 610 CA PHE A 58 14.340 -16.331 -25.028 1.00 12.01 C ATOM 611 C PHE A 58 15.431 -15.795 -25.950 1.00 61.44 C ATOM 612 O PHE A 58 15.216 -15.624 -27.151 1.00 35.55 O ATOM 613 CB PHE A 58 13.818 -15.207 -24.130 1.00 73.15 C ATOM 614 CG PHE A 58 12.391 -15.395 -23.702 1.00 34.30 C ATOM 615 CD1 PHE A 58 11.422 -15.769 -24.620 1.00 43.22 C ATOM 616 CD2 PHE A 58 12.018 -15.198 -22.383 1.00 23.21 C ATOM 617 CE1 PHE A 58 10.107 -15.944 -24.229 1.00 41.41 C ATOM 618 CE2 PHE A 58 10.706 -15.372 -21.986 1.00 0.11 C ATOM 619 CZ PHE A 58 9.749 -15.744 -22.910 1.00 40.22 C ATOM 0 H PHE A 58 14.642 -17.351 -23.220 1.00 41.53 H new ATOM 0 HA PHE A 58 13.522 -16.706 -25.643 1.00 12.01 H new ATOM 0 HB2 PHE A 58 14.449 -15.139 -23.244 1.00 73.15 H new ATOM 0 HB3 PHE A 58 13.908 -14.258 -24.659 1.00 73.15 H new ATOM 0 HD1 PHE A 58 11.697 -15.926 -25.653 1.00 43.22 H new ATOM 0 HD2 PHE A 58 12.761 -14.905 -21.656 1.00 23.21 H new ATOM 0 HE1 PHE A 58 9.361 -16.236 -24.954 1.00 41.41 H new ATOM 0 HE2 PHE A 58 10.429 -15.217 -20.954 1.00 0.11 H new ATOM 0 HZ PHE A 58 8.723 -15.878 -22.602 1.00 40.22 H new ATOM 629 N SER A 59 16.603 -15.533 -25.381 1.00 34.01 N ATOM 630 CA SER A 59 17.727 -15.013 -26.150 1.00 52.20 C ATOM 631 C SER A 59 17.995 -15.881 -27.375 1.00 51.45 C ATOM 632 O SER A 59 18.125 -15.377 -28.491 1.00 11.10 O ATOM 633 CB SER A 59 18.981 -14.942 -25.277 1.00 72.23 C ATOM 634 OG SER A 59 19.766 -13.808 -25.601 1.00 13.14 O ATOM 0 H SER A 59 16.799 -15.672 -24.390 1.00 34.01 H new ATOM 0 HA SER A 59 17.471 -14.009 -26.487 1.00 52.20 H new ATOM 0 HB2 SER A 59 18.694 -14.901 -24.226 1.00 72.23 H new ATOM 0 HB3 SER A 59 19.573 -15.848 -25.411 1.00 72.23 H new ATOM 0 HG SER A 59 20.560 -13.785 -25.028 1.00 13.14 H new ATOM 640 N SER A 60 18.077 -17.190 -27.159 1.00 61.23 N ATOM 641 CA SER A 60 18.333 -18.129 -28.245 1.00 22.50 C ATOM 642 C SER A 60 17.075 -18.354 -29.077 1.00 53.45 C ATOM 643 O SER A 60 17.100 -19.065 -30.083 1.00 10.11 O ATOM 644 CB SER A 60 18.832 -19.463 -27.685 1.00 62.44 C ATOM 645 OG SER A 60 18.766 -20.484 -28.667 1.00 21.45 O ATOM 0 H SER A 60 17.970 -17.624 -26.242 1.00 61.23 H new ATOM 0 HA SER A 60 19.102 -17.701 -28.889 1.00 22.50 H new ATOM 0 HB2 SER A 60 19.859 -19.354 -27.337 1.00 62.44 H new ATOM 0 HB3 SER A 60 18.231 -19.746 -26.820 1.00 62.44 H new ATOM 0 HG SER A 60 18.408 -20.113 -29.501 1.00 21.45 H new ATOM 651 N LEU A 61 15.975 -17.741 -28.653 1.00 55.43 N ATOM 652 CA LEU A 61 14.705 -17.872 -29.359 1.00 63.31 C ATOM 653 C LEU A 61 14.514 -16.732 -30.354 1.00 24.13 C ATOM 654 O LEU A 61 13.415 -16.513 -30.860 1.00 13.43 O ATOM 655 CB LEU A 61 13.545 -17.894 -28.363 1.00 33.11 C ATOM 656 CG LEU A 61 12.171 -18.239 -28.939 1.00 24.34 C ATOM 657 CD1 LEU A 61 12.293 -19.327 -29.994 1.00 45.13 C ATOM 658 CD2 LEU A 61 11.222 -18.673 -27.831 1.00 21.44 C ATOM 0 H LEU A 61 15.937 -17.148 -27.824 1.00 55.43 H new ATOM 0 HA LEU A 61 14.720 -18.812 -29.911 1.00 63.31 H new ATOM 0 HB2 LEU A 61 13.779 -18.614 -27.579 1.00 33.11 H new ATOM 0 HB3 LEU A 61 13.482 -16.915 -27.888 1.00 33.11 H new ATOM 0 HG LEU A 61 11.762 -17.346 -29.412 1.00 24.34 H new ATOM 0 HD11 LEU A 61 11.306 -19.560 -30.393 1.00 45.13 H new ATOM 0 HD12 LEU A 61 12.938 -18.980 -30.801 1.00 45.13 H new ATOM 0 HD13 LEU A 61 12.723 -20.222 -29.545 1.00 45.13 H new ATOM 0 HD21 LEU A 61 10.249 -18.915 -28.259 1.00 21.44 H new ATOM 0 HD22 LEU A 61 11.626 -19.552 -27.329 1.00 21.44 H new ATOM 0 HD23 LEU A 61 11.110 -17.863 -27.110 1.00 21.44 H new ATOM 670 N GLY A 62 15.596 -16.009 -30.632 1.00 12.33 N ATOM 671 CA GLY A 62 15.527 -14.901 -31.567 1.00 63.11 C ATOM 672 C GLY A 62 14.640 -13.777 -31.070 1.00 12.05 C ATOM 673 O GLY A 62 14.209 -12.925 -31.848 1.00 24.32 O ATOM 0 H GLY A 62 16.518 -16.171 -30.227 1.00 12.33 H new ATOM 0 HA2 GLY A 62 16.531 -14.516 -31.744 1.00 63.11 H new ATOM 0 HA3 GLY A 62 15.150 -15.261 -32.525 1.00 63.11 H new ATOM 677 N VAL A 63 14.365 -13.773 -29.769 1.00 72.35 N ATOM 678 CA VAL A 63 13.523 -12.745 -29.169 1.00 72.10 C ATOM 679 C VAL A 63 14.279 -11.975 -28.092 1.00 72.43 C ATOM 680 O VAL A 63 15.253 -12.473 -27.525 1.00 53.55 O ATOM 681 CB VAL A 63 12.249 -13.353 -28.551 1.00 44.43 C ATOM 682 CG1 VAL A 63 12.594 -14.179 -27.321 1.00 52.05 C ATOM 683 CG2 VAL A 63 11.251 -12.258 -28.206 1.00 20.31 C ATOM 0 H VAL A 63 14.713 -14.470 -29.111 1.00 72.35 H new ATOM 0 HA VAL A 63 13.239 -12.061 -29.969 1.00 72.10 H new ATOM 0 HB VAL A 63 11.789 -14.014 -29.285 1.00 44.43 H new ATOM 0 HG11 VAL A 63 11.682 -14.600 -26.898 1.00 52.05 H new ATOM 0 HG12 VAL A 63 13.270 -14.986 -27.603 1.00 52.05 H new ATOM 0 HG13 VAL A 63 13.078 -13.543 -26.580 1.00 52.05 H new ATOM 0 HG21 VAL A 63 10.357 -12.704 -27.771 1.00 20.31 H new ATOM 0 HG22 VAL A 63 11.699 -11.570 -27.489 1.00 20.31 H new ATOM 0 HG23 VAL A 63 10.981 -11.714 -29.111 1.00 20.31 H new ATOM 693 N VAL A 64 13.825 -10.758 -27.813 1.00 34.30 N ATOM 694 CA VAL A 64 14.457 -9.918 -26.802 1.00 30.40 C ATOM 695 C VAL A 64 13.633 -9.888 -25.520 1.00 20.35 C ATOM 696 O VAL A 64 12.408 -10.010 -25.552 1.00 61.24 O ATOM 697 CB VAL A 64 14.648 -8.477 -27.310 1.00 3.31 C ATOM 698 CG1 VAL A 64 15.459 -7.664 -26.313 1.00 13.52 C ATOM 699 CG2 VAL A 64 15.317 -8.478 -28.677 1.00 31.42 C ATOM 0 H VAL A 64 13.021 -10.331 -28.273 1.00 34.30 H new ATOM 0 HA VAL A 64 15.434 -10.354 -26.593 1.00 30.40 H new ATOM 0 HB VAL A 64 13.667 -8.013 -27.411 1.00 3.31 H new ATOM 0 HG11 VAL A 64 15.584 -6.648 -26.688 1.00 13.52 H new ATOM 0 HG12 VAL A 64 14.937 -7.636 -25.357 1.00 13.52 H new ATOM 0 HG13 VAL A 64 16.438 -8.124 -26.179 1.00 13.52 H new ATOM 0 HG21 VAL A 64 15.444 -7.451 -29.021 1.00 31.42 H new ATOM 0 HG22 VAL A 64 16.292 -8.960 -28.605 1.00 31.42 H new ATOM 0 HG23 VAL A 64 14.695 -9.024 -29.386 1.00 31.42 H new ATOM 709 N TYR A 65 14.314 -9.725 -24.391 1.00 1.44 N ATOM 710 CA TYR A 65 13.645 -9.680 -23.096 1.00 23.54 C ATOM 711 C TYR A 65 14.388 -8.761 -22.131 1.00 51.41 C ATOM 712 O TYR A 65 15.511 -8.336 -22.400 1.00 55.52 O ATOM 713 CB TYR A 65 13.544 -11.086 -22.502 1.00 25.45 C ATOM 714 CG TYR A 65 14.886 -11.755 -22.299 1.00 33.44 C ATOM 715 CD1 TYR A 65 15.490 -12.470 -23.325 1.00 30.44 C ATOM 716 CD2 TYR A 65 15.548 -11.671 -21.080 1.00 63.41 C ATOM 717 CE1 TYR A 65 16.714 -13.084 -23.144 1.00 0.33 C ATOM 718 CE2 TYR A 65 16.774 -12.280 -20.891 1.00 25.33 C ATOM 719 CZ TYR A 65 17.353 -12.986 -21.925 1.00 11.43 C ATOM 720 OH TYR A 65 18.573 -13.594 -21.741 1.00 40.01 O ATOM 0 H TYR A 65 15.328 -9.622 -24.346 1.00 1.44 H new ATOM 0 HA TYR A 65 12.641 -9.283 -23.248 1.00 23.54 H new ATOM 0 HB2 TYR A 65 13.026 -11.031 -21.544 1.00 25.45 H new ATOM 0 HB3 TYR A 65 12.934 -11.706 -23.159 1.00 25.45 H new ATOM 0 HD1 TYR A 65 14.994 -12.547 -24.281 1.00 30.44 H new ATOM 0 HD2 TYR A 65 15.097 -11.121 -20.267 1.00 63.41 H new ATOM 0 HE1 TYR A 65 17.168 -13.638 -23.952 1.00 0.33 H new ATOM 0 HE2 TYR A 65 17.277 -12.204 -19.938 1.00 25.33 H new ATOM 0 HH TYR A 65 18.468 -14.566 -21.812 1.00 40.01 H new ATOM 730 N ASN A 66 13.751 -8.457 -21.004 1.00 63.52 N ATOM 731 CA ASN A 66 14.350 -7.589 -19.998 1.00 2.42 C ATOM 732 C ASN A 66 14.942 -8.407 -18.854 1.00 44.44 C ATOM 733 O ASN A 66 14.559 -9.558 -18.638 1.00 2.30 O ATOM 734 CB ASN A 66 13.307 -6.610 -19.453 1.00 22.33 C ATOM 735 CG ASN A 66 13.861 -5.208 -19.285 1.00 71.23 C ATOM 736 OD1 ASN A 66 14.679 -4.953 -18.402 1.00 32.43 O ATOM 737 ND2 ASN A 66 13.416 -4.292 -20.137 1.00 72.35 N ATOM 0 H ASN A 66 12.820 -8.799 -20.765 1.00 63.52 H new ATOM 0 HA ASN A 66 15.154 -7.027 -20.473 1.00 2.42 H new ATOM 0 HB2 ASN A 66 12.452 -6.581 -20.128 1.00 22.33 H new ATOM 0 HB3 ASN A 66 12.942 -6.971 -18.492 1.00 22.33 H new ATOM 0 HD21 ASN A 66 13.753 -3.331 -20.075 1.00 72.35 H new ATOM 0 HD22 ASN A 66 12.737 -4.549 -20.854 1.00 72.35 H new ATOM 744 N ILE A 67 15.877 -7.807 -18.126 1.00 2.53 N ATOM 745 CA ILE A 67 16.521 -8.479 -17.005 1.00 10.33 C ATOM 746 C ILE A 67 16.020 -7.928 -15.673 1.00 22.42 C ATOM 747 O ILE A 67 16.242 -6.760 -15.350 1.00 13.14 O ATOM 748 CB ILE A 67 18.052 -8.333 -17.065 1.00 24.33 C ATOM 749 CG1 ILE A 67 18.562 -8.653 -18.472 1.00 24.34 C ATOM 750 CG2 ILE A 67 18.711 -9.242 -16.038 1.00 23.15 C ATOM 751 CD1 ILE A 67 18.315 -10.084 -18.893 1.00 23.22 C ATOM 0 H ILE A 67 16.206 -6.856 -18.293 1.00 2.53 H new ATOM 0 HA ILE A 67 16.263 -9.535 -17.079 1.00 10.33 H new ATOM 0 HB ILE A 67 18.313 -7.301 -16.830 1.00 24.33 H new ATOM 0 HG12 ILE A 67 18.080 -7.985 -19.185 1.00 24.34 H new ATOM 0 HG13 ILE A 67 19.632 -8.449 -18.517 1.00 24.34 H new ATOM 0 HG21 ILE A 67 19.794 -9.128 -16.092 1.00 23.15 H new ATOM 0 HG22 ILE A 67 18.367 -8.972 -15.039 1.00 23.15 H new ATOM 0 HG23 ILE A 67 18.445 -10.278 -16.245 1.00 23.15 H new ATOM 0 HD11 ILE A 67 18.702 -10.239 -19.900 1.00 23.22 H new ATOM 0 HD12 ILE A 67 18.820 -10.759 -18.202 1.00 23.22 H new ATOM 0 HD13 ILE A 67 17.244 -10.287 -18.881 1.00 23.22 H new ATOM 763 N LEU A 68 15.347 -8.776 -14.904 1.00 25.42 N ATOM 764 CA LEU A 68 14.817 -8.375 -13.605 1.00 21.44 C ATOM 765 C LEU A 68 15.216 -9.374 -12.522 1.00 74.01 C ATOM 766 O LEU A 68 14.854 -10.548 -12.585 1.00 71.22 O ATOM 767 CB LEU A 68 13.294 -8.256 -13.669 1.00 73.54 C ATOM 768 CG LEU A 68 12.698 -7.985 -15.051 1.00 44.12 C ATOM 769 CD1 LEU A 68 11.185 -8.123 -15.018 1.00 30.43 C ATOM 770 CD2 LEU A 68 13.099 -6.601 -15.541 1.00 14.00 C ATOM 0 H LEU A 68 15.155 -9.745 -15.157 1.00 25.42 H new ATOM 0 HA LEU A 68 15.241 -7.403 -13.351 1.00 21.44 H new ATOM 0 HB2 LEU A 68 12.861 -9.179 -13.284 1.00 73.54 H new ATOM 0 HB3 LEU A 68 12.984 -7.455 -12.998 1.00 73.54 H new ATOM 0 HG LEU A 68 13.093 -8.725 -15.747 1.00 44.12 H new ATOM 0 HD11 LEU A 68 10.780 -7.926 -16.011 1.00 30.43 H new ATOM 0 HD12 LEU A 68 10.919 -9.134 -14.711 1.00 30.43 H new ATOM 0 HD13 LEU A 68 10.770 -7.407 -14.308 1.00 30.43 H new ATOM 0 HD21 LEU A 68 12.667 -6.424 -16.526 1.00 14.00 H new ATOM 0 HD22 LEU A 68 12.733 -5.848 -14.843 1.00 14.00 H new ATOM 0 HD23 LEU A 68 14.185 -6.538 -15.605 1.00 14.00 H new ATOM 782 N GLU A 69 15.962 -8.897 -11.530 1.00 53.13 N ATOM 783 CA GLU A 69 16.408 -9.748 -10.434 1.00 52.44 C ATOM 784 C GLU A 69 15.817 -9.280 -9.107 1.00 45.54 C ATOM 785 O GLU A 69 16.154 -8.204 -8.610 1.00 73.10 O ATOM 786 CB GLU A 69 17.936 -9.752 -10.352 1.00 34.41 C ATOM 787 CG GLU A 69 18.617 -9.912 -11.700 1.00 51.44 C ATOM 788 CD GLU A 69 19.115 -8.594 -12.262 1.00 34.43 C ATOM 789 OE1 GLU A 69 18.273 -7.717 -12.551 1.00 21.34 O ATOM 790 OE2 GLU A 69 20.345 -8.440 -12.412 1.00 11.35 O ATOM 0 H GLU A 69 16.270 -7.927 -11.463 1.00 53.13 H new ATOM 0 HA GLU A 69 16.059 -10.762 -10.629 1.00 52.44 H new ATOM 0 HB2 GLU A 69 18.269 -8.821 -9.894 1.00 34.41 H new ATOM 0 HB3 GLU A 69 18.254 -10.562 -9.695 1.00 34.41 H new ATOM 0 HG2 GLU A 69 19.456 -10.600 -11.599 1.00 51.44 H new ATOM 0 HG3 GLU A 69 17.918 -10.362 -12.405 1.00 51.44 H new ATOM 797 N LEU A 70 14.935 -10.094 -8.539 1.00 3.12 N ATOM 798 CA LEU A 70 14.296 -9.765 -7.269 1.00 44.34 C ATOM 799 C LEU A 70 15.314 -9.762 -6.132 1.00 51.23 C ATOM 800 O LEU A 70 15.043 -9.250 -5.045 1.00 72.32 O ATOM 801 CB LEU A 70 13.177 -10.762 -6.965 1.00 0.01 C ATOM 802 CG LEU A 70 12.387 -11.273 -8.170 1.00 0.21 C ATOM 803 CD1 LEU A 70 12.690 -12.742 -8.422 1.00 10.11 C ATOM 804 CD2 LEU A 70 10.895 -11.062 -7.959 1.00 30.14 C ATOM 0 H LEU A 70 14.645 -10.987 -8.937 1.00 3.12 H new ATOM 0 HA LEU A 70 13.870 -8.765 -7.353 1.00 44.34 H new ATOM 0 HB2 LEU A 70 13.611 -11.619 -6.451 1.00 0.01 H new ATOM 0 HB3 LEU A 70 12.479 -10.294 -6.271 1.00 0.01 H new ATOM 0 HG LEU A 70 12.692 -10.704 -9.048 1.00 0.21 H new ATOM 0 HD11 LEU A 70 12.119 -13.089 -9.283 1.00 10.11 H new ATOM 0 HD12 LEU A 70 13.755 -12.865 -8.619 1.00 10.11 H new ATOM 0 HD13 LEU A 70 12.414 -13.326 -7.544 1.00 10.11 H new ATOM 0 HD21 LEU A 70 10.349 -11.432 -8.827 1.00 30.14 H new ATOM 0 HD22 LEU A 70 10.573 -11.604 -7.070 1.00 30.14 H new ATOM 0 HD23 LEU A 70 10.693 -9.999 -7.829 1.00 30.14 H new ATOM 816 N ASP A 71 16.484 -10.333 -6.391 1.00 61.02 N ATOM 817 CA ASP A 71 17.544 -10.394 -5.391 1.00 42.42 C ATOM 818 C ASP A 71 18.455 -9.173 -5.490 1.00 11.25 C ATOM 819 O ASP A 71 19.477 -9.094 -4.809 1.00 74.24 O ATOM 820 CB ASP A 71 18.365 -11.672 -5.563 1.00 74.54 C ATOM 821 CG ASP A 71 18.768 -12.284 -4.236 1.00 30.14 C ATOM 822 OD1 ASP A 71 17.879 -12.491 -3.383 1.00 13.34 O ATOM 823 OD2 ASP A 71 19.971 -12.557 -4.051 1.00 4.14 O ATOM 0 H ASP A 71 16.723 -10.761 -7.285 1.00 61.02 H new ATOM 0 HA ASP A 71 17.079 -10.400 -4.405 1.00 42.42 H new ATOM 0 HB2 ASP A 71 17.786 -12.398 -6.134 1.00 74.54 H new ATOM 0 HB3 ASP A 71 19.260 -11.450 -6.144 1.00 74.54 H new ATOM 828 N GLN A 72 18.076 -8.225 -6.342 1.00 31.41 N ATOM 829 CA GLN A 72 18.859 -7.011 -6.530 1.00 61.02 C ATOM 830 C GLN A 72 18.038 -5.773 -6.185 1.00 32.13 C ATOM 831 O GLN A 72 18.552 -4.815 -5.608 1.00 11.32 O ATOM 832 CB GLN A 72 19.358 -6.919 -7.973 1.00 43.22 C ATOM 833 CG GLN A 72 20.335 -8.022 -8.351 1.00 54.20 C ATOM 834 CD GLN A 72 21.190 -7.660 -9.548 1.00 14.41 C ATOM 835 OE1 GLN A 72 21.021 -6.597 -10.148 1.00 30.31 O ATOM 836 NE2 GLN A 72 22.116 -8.542 -9.904 1.00 31.22 N ATOM 0 H GLN A 72 17.232 -8.275 -6.912 1.00 31.41 H new ATOM 0 HA GLN A 72 19.716 -7.055 -5.858 1.00 61.02 H new ATOM 0 HB2 GLN A 72 18.503 -6.956 -8.647 1.00 43.22 H new ATOM 0 HB3 GLN A 72 19.839 -5.952 -8.121 1.00 43.22 H new ATOM 0 HG2 GLN A 72 20.981 -8.237 -7.500 1.00 54.20 H new ATOM 0 HG3 GLN A 72 19.780 -8.935 -8.569 1.00 54.20 H new ATOM 0 HE21 GLN A 72 22.222 -9.410 -9.379 1.00 31.22 H new ATOM 0 HE22 GLN A 72 22.722 -8.352 -10.702 1.00 31.22 H new ATOM 845 N VAL A 73 16.757 -5.801 -6.541 1.00 11.23 N ATOM 846 CA VAL A 73 15.864 -4.682 -6.267 1.00 73.42 C ATOM 847 C VAL A 73 15.759 -4.415 -4.770 1.00 31.12 C ATOM 848 O VAL A 73 16.150 -5.247 -3.951 1.00 60.15 O ATOM 849 CB VAL A 73 14.453 -4.939 -6.831 1.00 71.11 C ATOM 850 CG1 VAL A 73 14.488 -5.000 -8.351 1.00 50.31 C ATOM 851 CG2 VAL A 73 13.874 -6.221 -6.252 1.00 13.11 C ATOM 0 H VAL A 73 16.315 -6.586 -7.019 1.00 11.23 H new ATOM 0 HA VAL A 73 16.292 -3.809 -6.759 1.00 73.42 H new ATOM 0 HB VAL A 73 13.808 -4.111 -6.539 1.00 71.11 H new ATOM 0 HG11 VAL A 73 13.483 -5.182 -8.731 1.00 50.31 H new ATOM 0 HG12 VAL A 73 14.859 -4.054 -8.745 1.00 50.31 H new ATOM 0 HG13 VAL A 73 15.148 -5.808 -8.668 1.00 50.31 H new ATOM 0 HG21 VAL A 73 12.877 -6.387 -6.661 1.00 13.11 H new ATOM 0 HG22 VAL A 73 14.518 -7.061 -6.512 1.00 13.11 H new ATOM 0 HG23 VAL A 73 13.811 -6.135 -5.167 1.00 13.11 H new ATOM 861 N ASP A 74 15.230 -3.249 -4.419 1.00 13.53 N ATOM 862 CA ASP A 74 15.072 -2.871 -3.019 1.00 11.34 C ATOM 863 C ASP A 74 13.886 -3.596 -2.390 1.00 52.13 C ATOM 864 O ASP A 74 13.898 -3.913 -1.202 1.00 25.22 O ATOM 865 CB ASP A 74 14.885 -1.358 -2.894 1.00 51.23 C ATOM 866 CG ASP A 74 15.997 -0.580 -3.568 1.00 41.54 C ATOM 867 OD1 ASP A 74 16.010 -0.521 -4.815 1.00 33.11 O ATOM 868 OD2 ASP A 74 16.857 -0.029 -2.848 1.00 33.22 O ATOM 0 H ASP A 74 14.903 -2.548 -5.084 1.00 13.53 H new ATOM 0 HA ASP A 74 15.977 -3.162 -2.486 1.00 11.34 H new ATOM 0 HB2 ASP A 74 13.929 -1.075 -3.335 1.00 51.23 H new ATOM 0 HB3 ASP A 74 14.843 -1.086 -1.839 1.00 51.23 H new ATOM 873 N ASP A 75 12.863 -3.855 -3.198 1.00 0.35 N ATOM 874 CA ASP A 75 11.668 -4.542 -2.721 1.00 71.51 C ATOM 875 C ASP A 75 11.758 -6.040 -2.996 1.00 62.21 C ATOM 876 O ASP A 75 10.743 -6.708 -3.193 1.00 55.22 O ATOM 877 CB ASP A 75 10.419 -3.963 -3.387 1.00 42.11 C ATOM 878 CG ASP A 75 10.529 -2.469 -3.621 1.00 4.24 C ATOM 879 OD1 ASP A 75 10.236 -1.699 -2.683 1.00 30.21 O ATOM 880 OD2 ASP A 75 10.907 -2.069 -4.742 1.00 72.51 O ATOM 0 H ASP A 75 12.837 -3.600 -4.185 1.00 0.35 H new ATOM 0 HA ASP A 75 11.598 -4.391 -1.644 1.00 71.51 H new ATOM 0 HB2 ASP A 75 10.252 -4.466 -4.340 1.00 42.11 H new ATOM 0 HB3 ASP A 75 9.550 -4.167 -2.762 1.00 42.11 H new ATOM 885 N GLY A 76 12.980 -6.563 -3.009 1.00 10.22 N ATOM 886 CA GLY A 76 13.180 -7.978 -3.261 1.00 44.32 C ATOM 887 C GLY A 76 12.310 -8.852 -2.381 1.00 31.21 C ATOM 888 O GLY A 76 12.060 -10.014 -2.702 1.00 21.24 O ATOM 0 H GLY A 76 13.836 -6.031 -2.849 1.00 10.22 H new ATOM 0 HA2 GLY A 76 12.963 -8.192 -4.308 1.00 44.32 H new ATOM 0 HA3 GLY A 76 14.228 -8.229 -3.095 1.00 44.32 H new ATOM 892 N ALA A 77 11.850 -8.294 -1.265 1.00 74.25 N ATOM 893 CA ALA A 77 11.002 -9.032 -0.336 1.00 42.22 C ATOM 894 C ALA A 77 9.568 -9.111 -0.846 1.00 72.44 C ATOM 895 O ALA A 77 9.019 -10.200 -1.019 1.00 65.32 O ATOM 896 CB ALA A 77 11.040 -8.384 1.040 1.00 45.34 C ATOM 0 H ALA A 77 12.050 -7.334 -0.983 1.00 74.25 H new ATOM 0 HA ALA A 77 11.388 -10.048 -0.258 1.00 42.22 H new ATOM 0 HB1 ALA A 77 10.403 -8.945 1.724 1.00 45.34 H new ATOM 0 HB2 ALA A 77 12.064 -8.385 1.415 1.00 45.34 H new ATOM 0 HB3 ALA A 77 10.681 -7.357 0.969 1.00 45.34 H new ATOM 902 N SER A 78 8.963 -7.952 -1.084 1.00 21.13 N ATOM 903 CA SER A 78 7.590 -7.891 -1.570 1.00 3.23 C ATOM 904 C SER A 78 7.518 -8.268 -3.046 1.00 22.13 C ATOM 905 O SER A 78 6.680 -9.072 -3.453 1.00 33.42 O ATOM 906 CB SER A 78 7.016 -6.488 -1.362 1.00 74.00 C ATOM 907 OG SER A 78 8.008 -5.496 -1.559 1.00 0.24 O ATOM 0 H SER A 78 9.403 -7.042 -0.948 1.00 21.13 H new ATOM 0 HA SER A 78 6.997 -8.607 -1.001 1.00 3.23 H new ATOM 0 HB2 SER A 78 6.190 -6.323 -2.054 1.00 74.00 H new ATOM 0 HB3 SER A 78 6.609 -6.404 -0.354 1.00 74.00 H new ATOM 0 HG SER A 78 7.615 -4.609 -1.422 1.00 0.24 H new ATOM 913 N VAL A 79 8.405 -7.681 -3.844 1.00 71.34 N ATOM 914 CA VAL A 79 8.445 -7.956 -5.276 1.00 30.42 C ATOM 915 C VAL A 79 8.375 -9.454 -5.549 1.00 61.14 C ATOM 916 O VAL A 79 7.680 -9.895 -6.465 1.00 4.01 O ATOM 917 CB VAL A 79 9.722 -7.386 -5.922 1.00 14.34 C ATOM 918 CG1 VAL A 79 10.917 -8.276 -5.618 1.00 70.31 C ATOM 919 CG2 VAL A 79 9.533 -7.226 -7.422 1.00 3.52 C ATOM 0 H VAL A 79 9.105 -7.012 -3.523 1.00 71.34 H new ATOM 0 HA VAL A 79 7.576 -7.468 -5.717 1.00 30.42 H new ATOM 0 HB VAL A 79 9.916 -6.401 -5.496 1.00 14.34 H new ATOM 0 HG11 VAL A 79 11.810 -7.857 -6.082 1.00 70.31 H new ATOM 0 HG12 VAL A 79 11.062 -8.334 -4.539 1.00 70.31 H new ATOM 0 HG13 VAL A 79 10.736 -9.275 -6.014 1.00 70.31 H new ATOM 0 HG21 VAL A 79 10.445 -6.822 -7.863 1.00 3.52 H new ATOM 0 HG22 VAL A 79 9.314 -8.197 -7.867 1.00 3.52 H new ATOM 0 HG23 VAL A 79 8.705 -6.544 -7.614 1.00 3.52 H new ATOM 929 N GLN A 80 9.098 -10.231 -4.749 1.00 41.24 N ATOM 930 CA GLN A 80 9.119 -11.680 -4.907 1.00 71.31 C ATOM 931 C GLN A 80 7.981 -12.328 -4.125 1.00 25.42 C ATOM 932 O GLN A 80 7.553 -13.439 -4.439 1.00 11.43 O ATOM 933 CB GLN A 80 10.461 -12.247 -4.442 1.00 40.42 C ATOM 934 CG GLN A 80 10.989 -13.365 -5.326 1.00 1.11 C ATOM 935 CD GLN A 80 11.406 -14.588 -4.532 1.00 63.14 C ATOM 936 OE1 GLN A 80 11.085 -15.719 -4.898 1.00 45.12 O ATOM 937 NE2 GLN A 80 12.127 -14.367 -3.440 1.00 31.44 N ATOM 0 H GLN A 80 9.677 -9.881 -3.985 1.00 41.24 H new ATOM 0 HA GLN A 80 8.985 -11.907 -5.965 1.00 71.31 H new ATOM 0 HB2 GLN A 80 11.195 -11.442 -4.412 1.00 40.42 H new ATOM 0 HB3 GLN A 80 10.355 -12.620 -3.423 1.00 40.42 H new ATOM 0 HG2 GLN A 80 10.221 -13.648 -6.046 1.00 1.11 H new ATOM 0 HG3 GLN A 80 11.842 -12.999 -5.898 1.00 1.11 H new ATOM 0 HE21 GLN A 80 12.370 -13.413 -3.174 1.00 31.44 H new ATOM 0 HE22 GLN A 80 12.438 -15.151 -2.867 1.00 31.44 H new ATOM 946 N GLU A 81 7.497 -11.628 -3.103 1.00 63.22 N ATOM 947 CA GLU A 81 6.410 -12.137 -2.275 1.00 63.14 C ATOM 948 C GLU A 81 5.231 -12.578 -3.138 1.00 13.22 C ATOM 949 O GLU A 81 4.736 -13.697 -3.007 1.00 61.03 O ATOM 950 CB GLU A 81 5.957 -11.069 -1.278 1.00 24.42 C ATOM 951 CG GLU A 81 4.897 -11.558 -0.305 1.00 14.15 C ATOM 952 CD GLU A 81 4.825 -10.713 0.952 1.00 24.13 C ATOM 953 OE1 GLU A 81 5.820 -10.686 1.707 1.00 42.03 O ATOM 954 OE2 GLU A 81 3.774 -10.078 1.182 1.00 61.31 O ATOM 0 H GLU A 81 7.841 -10.707 -2.829 1.00 63.22 H new ATOM 0 HA GLU A 81 6.779 -13.003 -1.725 1.00 63.14 H new ATOM 0 HB2 GLU A 81 6.822 -10.719 -0.715 1.00 24.42 H new ATOM 0 HB3 GLU A 81 5.567 -10.212 -1.828 1.00 24.42 H new ATOM 0 HG2 GLU A 81 3.925 -11.552 -0.799 1.00 14.15 H new ATOM 0 HG3 GLU A 81 5.109 -12.592 -0.032 1.00 14.15 H new ATOM 961 N VAL A 82 4.783 -11.687 -4.017 1.00 44.35 N ATOM 962 CA VAL A 82 3.662 -11.983 -4.901 1.00 12.11 C ATOM 963 C VAL A 82 4.129 -12.710 -6.157 1.00 63.43 C ATOM 964 O VAL A 82 3.357 -13.427 -6.796 1.00 64.51 O ATOM 965 CB VAL A 82 2.917 -10.698 -5.312 1.00 63.12 C ATOM 966 CG1 VAL A 82 3.730 -9.912 -6.330 1.00 64.31 C ATOM 967 CG2 VAL A 82 1.540 -11.034 -5.862 1.00 74.41 C ATOM 0 H VAL A 82 5.179 -10.755 -4.136 1.00 44.35 H new ATOM 0 HA VAL A 82 2.981 -12.627 -4.344 1.00 12.11 H new ATOM 0 HB VAL A 82 2.787 -10.075 -4.427 1.00 63.12 H new ATOM 0 HG11 VAL A 82 3.188 -9.008 -6.609 1.00 64.31 H new ATOM 0 HG12 VAL A 82 4.692 -9.639 -5.895 1.00 64.31 H new ATOM 0 HG13 VAL A 82 3.893 -10.525 -7.217 1.00 64.31 H new ATOM 0 HG21 VAL A 82 1.028 -10.115 -6.147 1.00 74.41 H new ATOM 0 HG22 VAL A 82 1.644 -11.677 -6.736 1.00 74.41 H new ATOM 0 HG23 VAL A 82 0.959 -11.551 -5.098 1.00 74.41 H new ATOM 977 N LEU A 83 5.397 -12.521 -6.506 1.00 73.11 N ATOM 978 CA LEU A 83 5.968 -13.160 -7.686 1.00 51.24 C ATOM 979 C LEU A 83 6.018 -14.675 -7.516 1.00 53.43 C ATOM 980 O LEU A 83 5.575 -15.424 -8.387 1.00 64.05 O ATOM 981 CB LEU A 83 7.374 -12.619 -7.954 1.00 20.15 C ATOM 982 CG LEU A 83 7.646 -12.131 -9.376 1.00 45.35 C ATOM 983 CD1 LEU A 83 7.603 -13.293 -10.357 1.00 41.33 C ATOM 984 CD2 LEU A 83 6.644 -11.057 -9.774 1.00 32.21 C ATOM 0 H LEU A 83 6.049 -11.931 -5.989 1.00 73.11 H new ATOM 0 HA LEU A 83 5.328 -12.930 -8.538 1.00 51.24 H new ATOM 0 HB2 LEU A 83 7.561 -11.794 -7.266 1.00 20.15 H new ATOM 0 HB3 LEU A 83 8.094 -13.402 -7.716 1.00 20.15 H new ATOM 0 HG LEU A 83 8.645 -11.695 -9.404 1.00 45.35 H new ATOM 0 HD11 LEU A 83 7.799 -12.926 -11.364 1.00 41.33 H new ATOM 0 HD12 LEU A 83 8.361 -14.027 -10.085 1.00 41.33 H new ATOM 0 HD13 LEU A 83 6.618 -13.759 -10.326 1.00 41.33 H new ATOM 0 HD21 LEU A 83 6.854 -10.722 -10.790 1.00 32.21 H new ATOM 0 HD22 LEU A 83 5.635 -11.466 -9.728 1.00 32.21 H new ATOM 0 HD23 LEU A 83 6.725 -10.213 -9.090 1.00 32.21 H new ATOM 996 N THR A 84 6.557 -15.121 -6.385 1.00 52.42 N ATOM 997 CA THR A 84 6.663 -16.546 -6.099 1.00 44.12 C ATOM 998 C THR A 84 5.301 -17.226 -6.178 1.00 23.03 C ATOM 999 O THR A 84 5.212 -18.429 -6.419 1.00 1.22 O ATOM 1000 CB THR A 84 7.269 -16.795 -4.704 1.00 43.24 C ATOM 1001 OG1 THR A 84 8.697 -16.727 -4.772 1.00 23.42 O ATOM 1002 CG2 THR A 84 6.845 -18.152 -4.165 1.00 22.23 C ATOM 0 H THR A 84 6.927 -14.515 -5.652 1.00 52.42 H new ATOM 0 HA THR A 84 7.322 -16.972 -6.855 1.00 44.12 H new ATOM 0 HB THR A 84 6.901 -16.023 -4.028 1.00 43.24 H new ATOM 0 HG1 THR A 84 8.986 -15.798 -4.655 1.00 23.42 H new ATOM 0 HG21 THR A 84 7.285 -18.306 -3.180 1.00 22.23 H new ATOM 0 HG22 THR A 84 5.758 -18.189 -4.087 1.00 22.23 H new ATOM 0 HG23 THR A 84 7.187 -18.935 -4.841 1.00 22.23 H new ATOM 1010 N GLU A 85 4.243 -16.447 -5.975 1.00 25.14 N ATOM 1011 CA GLU A 85 2.886 -16.976 -6.023 1.00 33.25 C ATOM 1012 C GLU A 85 2.398 -17.091 -7.464 1.00 32.53 C ATOM 1013 O GLU A 85 1.567 -17.942 -7.783 1.00 30.30 O ATOM 1014 CB GLU A 85 1.938 -16.082 -5.222 1.00 55.30 C ATOM 1015 CG GLU A 85 0.469 -16.326 -5.526 1.00 31.25 C ATOM 1016 CD GLU A 85 -0.432 -15.998 -4.350 1.00 61.01 C ATOM 1017 OE1 GLU A 85 0.052 -15.359 -3.393 1.00 60.30 O ATOM 1018 OE2 GLU A 85 -1.621 -16.381 -4.388 1.00 4.52 O ATOM 0 H GLU A 85 4.300 -15.448 -5.776 1.00 25.14 H new ATOM 0 HA GLU A 85 2.896 -17.972 -5.580 1.00 33.25 H new ATOM 0 HB2 GLU A 85 2.112 -16.243 -4.158 1.00 55.30 H new ATOM 0 HB3 GLU A 85 2.175 -15.038 -5.429 1.00 55.30 H new ATOM 0 HG2 GLU A 85 0.174 -15.722 -6.384 1.00 31.25 H new ATOM 0 HG3 GLU A 85 0.328 -17.370 -5.807 1.00 31.25 H new ATOM 1025 N ILE A 86 2.921 -16.229 -8.330 1.00 15.05 N ATOM 1026 CA ILE A 86 2.539 -16.235 -9.737 1.00 22.12 C ATOM 1027 C ILE A 86 2.654 -17.634 -10.332 1.00 21.31 C ATOM 1028 O ILE A 86 1.826 -18.044 -11.145 1.00 60.41 O ATOM 1029 CB ILE A 86 3.408 -15.266 -10.560 1.00 3.23 C ATOM 1030 CG1 ILE A 86 3.242 -13.835 -10.044 1.00 60.02 C ATOM 1031 CG2 ILE A 86 3.044 -15.349 -12.034 1.00 71.43 C ATOM 1032 CD1 ILE A 86 4.021 -12.812 -10.841 1.00 4.40 C ATOM 0 H ILE A 86 3.610 -15.518 -8.082 1.00 15.05 H new ATOM 0 HA ILE A 86 1.500 -15.908 -9.783 1.00 22.12 H new ATOM 0 HB ILE A 86 4.453 -15.554 -10.448 1.00 3.23 H new ATOM 0 HG12 ILE A 86 2.185 -13.571 -10.063 1.00 60.02 H new ATOM 0 HG13 ILE A 86 3.562 -13.793 -9.003 1.00 60.02 H new ATOM 0 HG21 ILE A 86 3.667 -14.658 -12.602 1.00 71.43 H new ATOM 0 HG22 ILE A 86 3.209 -16.365 -12.393 1.00 71.43 H new ATOM 0 HG23 ILE A 86 1.995 -15.083 -12.165 1.00 71.43 H new ATOM 0 HD11 ILE A 86 3.857 -11.820 -10.419 1.00 4.40 H new ATOM 0 HD12 ILE A 86 5.084 -13.052 -10.801 1.00 4.40 H new ATOM 0 HD13 ILE A 86 3.685 -12.826 -11.878 1.00 4.40 H new ATOM 1044 N SER A 87 3.687 -18.363 -9.921 1.00 73.30 N ATOM 1045 CA SER A 87 3.913 -19.716 -10.415 1.00 34.22 C ATOM 1046 C SER A 87 3.930 -20.719 -9.264 1.00 54.02 C ATOM 1047 O SER A 87 3.914 -21.929 -9.482 1.00 31.15 O ATOM 1048 CB SER A 87 5.231 -19.787 -11.187 1.00 40.12 C ATOM 1049 OG SER A 87 5.050 -20.407 -12.449 1.00 22.34 O ATOM 0 H SER A 87 4.381 -18.039 -9.247 1.00 73.30 H new ATOM 0 HA SER A 87 3.093 -19.972 -11.086 1.00 34.22 H new ATOM 0 HB2 SER A 87 5.629 -18.782 -11.326 1.00 40.12 H new ATOM 0 HB3 SER A 87 5.967 -20.344 -10.607 1.00 40.12 H new ATOM 0 HG SER A 87 5.697 -20.042 -13.088 1.00 22.34 H new ATOM 1055 N ASN A 88 3.963 -20.204 -8.040 1.00 34.13 N ATOM 1056 CA ASN A 88 3.983 -21.052 -6.854 1.00 74.34 C ATOM 1057 C ASN A 88 5.081 -22.107 -6.958 1.00 4.50 C ATOM 1058 O ASN A 88 4.862 -23.277 -6.648 1.00 1.35 O ATOM 1059 CB ASN A 88 2.624 -21.732 -6.664 1.00 65.14 C ATOM 1060 CG ASN A 88 2.238 -21.852 -5.203 1.00 31.30 C ATOM 1061 OD1 ASN A 88 3.098 -21.937 -4.326 1.00 74.14 O ATOM 1062 ND2 ASN A 88 0.937 -21.862 -4.935 1.00 50.44 N ATOM 0 H ASN A 88 3.976 -19.203 -7.843 1.00 34.13 H new ATOM 0 HA ASN A 88 4.190 -20.420 -5.990 1.00 74.34 H new ATOM 0 HB2 ASN A 88 1.859 -21.164 -7.194 1.00 65.14 H new ATOM 0 HB3 ASN A 88 2.652 -22.725 -7.113 1.00 65.14 H new ATOM 0 HD21 ASN A 88 0.616 -21.943 -3.970 1.00 50.44 H new ATOM 0 HD22 ASN A 88 0.259 -21.789 -5.694 1.00 50.44 H new ATOM 1069 N GLN A 89 6.261 -21.681 -7.396 1.00 24.32 N ATOM 1070 CA GLN A 89 7.394 -22.588 -7.540 1.00 64.41 C ATOM 1071 C GLN A 89 8.575 -22.125 -6.694 1.00 51.01 C ATOM 1072 O GLN A 89 8.735 -20.932 -6.433 1.00 31.13 O ATOM 1073 CB GLN A 89 7.811 -22.687 -9.009 1.00 64.22 C ATOM 1074 CG GLN A 89 7.070 -23.766 -9.781 1.00 71.22 C ATOM 1075 CD GLN A 89 6.254 -23.206 -10.930 1.00 20.13 C ATOM 1076 OE1 GLN A 89 5.091 -23.564 -11.112 1.00 54.14 O ATOM 1077 NE2 GLN A 89 6.863 -22.322 -11.712 1.00 33.31 N ATOM 0 H GLN A 89 6.458 -20.715 -7.657 1.00 24.32 H new ATOM 0 HA GLN A 89 7.085 -23.573 -7.190 1.00 64.41 H new ATOM 0 HB2 GLN A 89 7.641 -21.725 -9.492 1.00 64.22 H new ATOM 0 HB3 GLN A 89 8.882 -22.885 -9.061 1.00 64.22 H new ATOM 0 HG2 GLN A 89 7.788 -24.488 -10.169 1.00 71.22 H new ATOM 0 HG3 GLN A 89 6.411 -24.306 -9.101 1.00 71.22 H new ATOM 0 HE21 GLN A 89 7.829 -22.054 -11.523 1.00 33.31 H new ATOM 0 HE22 GLN A 89 6.365 -21.911 -12.501 1.00 33.31 H new ATOM 1086 N LYS A 90 9.400 -23.075 -6.267 1.00 14.41 N ATOM 1087 CA LYS A 90 10.568 -22.764 -5.451 1.00 35.32 C ATOM 1088 C LYS A 90 11.328 -21.571 -6.020 1.00 23.31 C ATOM 1089 O LYS A 90 11.812 -20.717 -5.276 1.00 12.20 O ATOM 1090 CB LYS A 90 11.493 -23.980 -5.366 1.00 2.13 C ATOM 1091 CG LYS A 90 12.132 -24.164 -4.000 1.00 44.52 C ATOM 1092 CD LYS A 90 13.070 -25.360 -3.979 1.00 53.34 C ATOM 1093 CE LYS A 90 13.826 -25.452 -2.663 1.00 74.31 C ATOM 1094 NZ LYS A 90 13.250 -26.492 -1.765 1.00 50.33 N ATOM 0 H LYS A 90 9.281 -24.067 -6.473 1.00 14.41 H new ATOM 0 HA LYS A 90 10.223 -22.507 -4.450 1.00 35.32 H new ATOM 0 HB2 LYS A 90 10.925 -24.876 -5.616 1.00 2.13 H new ATOM 0 HB3 LYS A 90 12.279 -23.881 -6.115 1.00 2.13 H new ATOM 0 HG2 LYS A 90 12.684 -23.263 -3.731 1.00 44.52 H new ATOM 0 HG3 LYS A 90 11.354 -24.298 -3.248 1.00 44.52 H new ATOM 0 HD2 LYS A 90 12.499 -26.275 -4.136 1.00 53.34 H new ATOM 0 HD3 LYS A 90 13.780 -25.282 -4.803 1.00 53.34 H new ATOM 0 HE2 LYS A 90 14.873 -25.682 -2.861 1.00 74.31 H new ATOM 0 HE3 LYS A 90 13.801 -24.485 -2.161 1.00 74.31 H new ATOM 0 HZ1 LYS A 90 13.793 -26.524 -0.878 1.00 50.33 H new ATOM 0 HZ2 LYS A 90 12.258 -26.259 -1.556 1.00 50.33 H new ATOM 0 HZ3 LYS A 90 13.297 -27.419 -2.233 1.00 50.33 H new ATOM 1108 N THR A 91 11.431 -21.517 -7.345 1.00 34.45 N ATOM 1109 CA THR A 91 12.132 -20.430 -8.014 1.00 11.35 C ATOM 1110 C THR A 91 11.171 -19.312 -8.401 1.00 10.13 C ATOM 1111 O THR A 91 9.985 -19.358 -8.074 1.00 14.35 O ATOM 1112 CB THR A 91 12.863 -20.924 -9.276 1.00 50.31 C ATOM 1113 OG1 THR A 91 12.064 -21.902 -9.952 1.00 2.12 O ATOM 1114 CG2 THR A 91 14.214 -21.523 -8.920 1.00 24.31 C ATOM 0 H THR A 91 11.037 -22.215 -7.976 1.00 34.45 H new ATOM 0 HA THR A 91 12.866 -20.045 -7.306 1.00 11.35 H new ATOM 0 HB THR A 91 13.025 -20.070 -9.933 1.00 50.31 H new ATOM 0 HG1 THR A 91 12.534 -22.211 -10.755 1.00 2.12 H new ATOM 0 HG21 THR A 91 14.711 -21.865 -9.828 1.00 24.31 H new ATOM 0 HG22 THR A 91 14.830 -20.768 -8.432 1.00 24.31 H new ATOM 0 HG23 THR A 91 14.071 -22.367 -8.245 1.00 24.31 H new ATOM 1122 N VAL A 92 11.689 -18.307 -9.101 1.00 21.51 N ATOM 1123 CA VAL A 92 10.876 -17.179 -9.536 1.00 2.54 C ATOM 1124 C VAL A 92 10.804 -17.106 -11.056 1.00 41.32 C ATOM 1125 O VAL A 92 11.093 -16.077 -11.668 1.00 40.42 O ATOM 1126 CB VAL A 92 11.430 -15.846 -8.995 1.00 31.53 C ATOM 1127 CG1 VAL A 92 10.337 -14.789 -8.959 1.00 25.31 C ATOM 1128 CG2 VAL A 92 12.037 -16.045 -7.614 1.00 34.12 C ATOM 0 H VAL A 92 12.669 -18.252 -9.379 1.00 21.51 H new ATOM 0 HA VAL A 92 9.875 -17.338 -9.135 1.00 2.54 H new ATOM 0 HB VAL A 92 12.215 -15.498 -9.666 1.00 31.53 H new ATOM 0 HG11 VAL A 92 10.747 -13.855 -8.574 1.00 25.31 H new ATOM 0 HG12 VAL A 92 9.952 -14.629 -9.966 1.00 25.31 H new ATOM 0 HG13 VAL A 92 9.528 -15.124 -8.311 1.00 25.31 H new ATOM 0 HG21 VAL A 92 12.424 -15.095 -7.246 1.00 34.12 H new ATOM 0 HG22 VAL A 92 11.273 -16.415 -6.930 1.00 34.12 H new ATOM 0 HG23 VAL A 92 12.850 -16.768 -7.675 1.00 34.12 H new ATOM 1138 N PRO A 93 10.408 -18.223 -11.684 1.00 22.51 N ATOM 1139 CA PRO A 93 10.287 -18.311 -13.142 1.00 21.33 C ATOM 1140 C PRO A 93 9.126 -17.482 -13.679 1.00 2.24 C ATOM 1141 O PRO A 93 7.977 -17.673 -13.281 1.00 2.32 O ATOM 1142 CB PRO A 93 10.037 -19.802 -13.388 1.00 4.42 C ATOM 1143 CG PRO A 93 9.428 -20.297 -12.122 1.00 15.30 C ATOM 1144 CD PRO A 93 10.047 -19.486 -11.018 1.00 64.54 C ATOM 0 HA PRO A 93 11.171 -17.923 -13.648 1.00 21.33 H new ATOM 0 HB2 PRO A 93 9.370 -19.957 -14.236 1.00 4.42 H new ATOM 0 HB3 PRO A 93 10.965 -20.327 -13.613 1.00 4.42 H new ATOM 0 HG2 PRO A 93 8.345 -20.174 -12.136 1.00 15.30 H new ATOM 0 HG3 PRO A 93 9.626 -21.360 -11.983 1.00 15.30 H new ATOM 0 HD2 PRO A 93 9.347 -19.322 -10.199 1.00 64.54 H new ATOM 0 HD3 PRO A 93 10.921 -19.982 -10.596 1.00 64.54 H new ATOM 1152 N ASN A 94 9.433 -16.559 -14.586 1.00 22.04 N ATOM 1153 CA ASN A 94 8.414 -15.700 -15.177 1.00 54.41 C ATOM 1154 C ASN A 94 8.569 -15.636 -16.694 1.00 31.33 C ATOM 1155 O ASN A 94 9.587 -15.168 -17.204 1.00 63.00 O ATOM 1156 CB ASN A 94 8.499 -14.292 -14.585 1.00 40.42 C ATOM 1157 CG ASN A 94 7.370 -14.003 -13.614 1.00 22.20 C ATOM 1158 OD1 ASN A 94 6.801 -12.911 -13.612 1.00 64.43 O ATOM 1159 ND2 ASN A 94 7.040 -14.984 -12.782 1.00 30.30 N ATOM 0 H ASN A 94 10.379 -16.387 -14.927 1.00 22.04 H new ATOM 0 HA ASN A 94 7.437 -16.126 -14.947 1.00 54.41 H new ATOM 0 HB2 ASN A 94 9.454 -14.173 -14.073 1.00 40.42 H new ATOM 0 HB3 ASN A 94 8.477 -13.560 -15.392 1.00 40.42 H new ATOM 0 HD21 ASN A 94 6.288 -14.848 -12.106 1.00 30.30 H new ATOM 0 HD22 ASN A 94 7.539 -15.873 -12.819 1.00 30.30 H new ATOM 1166 N ILE A 95 7.553 -16.110 -17.406 1.00 42.14 N ATOM 1167 CA ILE A 95 7.576 -16.105 -18.864 1.00 1.12 C ATOM 1168 C ILE A 95 6.261 -15.584 -19.433 1.00 14.21 C ATOM 1169 O ILE A 95 5.258 -16.296 -19.459 1.00 13.25 O ATOM 1170 CB ILE A 95 7.844 -17.513 -19.428 1.00 32.25 C ATOM 1171 CG1 ILE A 95 7.366 -18.580 -18.440 1.00 54.03 C ATOM 1172 CG2 ILE A 95 9.324 -17.690 -19.731 1.00 61.51 C ATOM 1173 CD1 ILE A 95 8.405 -18.957 -17.408 1.00 31.10 C ATOM 0 H ILE A 95 6.704 -16.502 -16.998 1.00 42.14 H new ATOM 0 HA ILE A 95 8.387 -15.442 -19.164 1.00 1.12 H new ATOM 0 HB ILE A 95 7.287 -17.628 -20.358 1.00 32.25 H new ATOM 0 HG12 ILE A 95 6.474 -18.217 -17.930 1.00 54.03 H new ATOM 0 HG13 ILE A 95 7.076 -19.473 -18.994 1.00 54.03 H new ATOM 0 HG21 ILE A 95 9.497 -18.690 -20.129 1.00 61.51 H new ATOM 0 HG22 ILE A 95 9.636 -16.948 -20.466 1.00 61.51 H new ATOM 0 HG23 ILE A 95 9.901 -17.559 -18.816 1.00 61.51 H new ATOM 0 HD11 ILE A 95 7.997 -19.717 -16.742 1.00 31.10 H new ATOM 0 HD12 ILE A 95 9.290 -19.350 -17.909 1.00 31.10 H new ATOM 0 HD13 ILE A 95 8.678 -18.076 -16.828 1.00 31.10 H new ATOM 1185 N PHE A 96 6.274 -14.336 -19.890 1.00 2.12 N ATOM 1186 CA PHE A 96 5.082 -13.718 -20.459 1.00 44.14 C ATOM 1187 C PHE A 96 5.446 -12.819 -21.637 1.00 45.25 C ATOM 1188 O PHE A 96 6.182 -11.843 -21.484 1.00 21.32 O ATOM 1189 CB PHE A 96 4.343 -12.907 -19.394 1.00 12.24 C ATOM 1190 CG PHE A 96 4.105 -13.667 -18.120 1.00 34.23 C ATOM 1191 CD1 PHE A 96 5.123 -13.832 -17.196 1.00 30.51 C ATOM 1192 CD2 PHE A 96 2.862 -14.216 -17.847 1.00 14.21 C ATOM 1193 CE1 PHE A 96 4.907 -14.532 -16.024 1.00 32.24 C ATOM 1194 CE2 PHE A 96 2.639 -14.916 -16.677 1.00 24.21 C ATOM 1195 CZ PHE A 96 3.664 -15.074 -15.763 1.00 52.42 C ATOM 0 H PHE A 96 7.097 -13.733 -19.877 1.00 2.12 H new ATOM 0 HA PHE A 96 4.428 -14.513 -20.818 1.00 44.14 H new ATOM 0 HB2 PHE A 96 4.917 -12.008 -19.170 1.00 12.24 H new ATOM 0 HB3 PHE A 96 3.385 -12.580 -19.797 1.00 12.24 H new ATOM 0 HD1 PHE A 96 6.097 -13.409 -17.393 1.00 30.51 H new ATOM 0 HD2 PHE A 96 2.058 -14.095 -18.558 1.00 14.21 H new ATOM 0 HE1 PHE A 96 5.710 -14.655 -15.313 1.00 32.24 H new ATOM 0 HE2 PHE A 96 1.666 -15.339 -16.477 1.00 24.21 H new ATOM 0 HZ PHE A 96 3.493 -15.620 -14.847 1.00 52.42 H new ATOM 1205 N VAL A 97 4.926 -13.154 -22.813 1.00 55.21 N ATOM 1206 CA VAL A 97 5.194 -12.377 -24.018 1.00 43.32 C ATOM 1207 C VAL A 97 3.901 -11.861 -24.639 1.00 31.21 C ATOM 1208 O VAL A 97 2.883 -12.553 -24.643 1.00 1.22 O ATOM 1209 CB VAL A 97 5.957 -13.210 -25.064 1.00 64.42 C ATOM 1210 CG1 VAL A 97 5.051 -14.274 -25.665 1.00 34.22 C ATOM 1211 CG2 VAL A 97 6.528 -12.310 -26.149 1.00 54.24 C ATOM 0 H VAL A 97 4.316 -13.959 -22.958 1.00 55.21 H new ATOM 0 HA VAL A 97 5.812 -11.530 -23.718 1.00 43.32 H new ATOM 0 HB VAL A 97 6.787 -13.712 -24.567 1.00 64.42 H new ATOM 0 HG11 VAL A 97 5.608 -14.852 -26.402 1.00 34.22 H new ATOM 0 HG12 VAL A 97 4.696 -14.937 -24.876 1.00 34.22 H new ATOM 0 HG13 VAL A 97 4.199 -13.796 -26.148 1.00 34.22 H new ATOM 0 HG21 VAL A 97 7.064 -12.916 -26.880 1.00 54.24 H new ATOM 0 HG22 VAL A 97 5.716 -11.778 -26.645 1.00 54.24 H new ATOM 0 HG23 VAL A 97 7.214 -11.591 -25.701 1.00 54.24 H new ATOM 1221 N ASN A 98 3.949 -10.642 -25.166 1.00 75.32 N ATOM 1222 CA ASN A 98 2.780 -10.033 -25.791 1.00 30.41 C ATOM 1223 C ASN A 98 1.615 -9.956 -24.809 1.00 21.44 C ATOM 1224 O ASN A 98 0.456 -10.129 -25.187 1.00 25.33 O ATOM 1225 CB ASN A 98 2.366 -10.829 -27.030 1.00 74.21 C ATOM 1226 CG ASN A 98 1.838 -9.940 -28.139 1.00 34.23 C ATOM 1227 OD1 ASN A 98 0.645 -9.640 -28.194 1.00 35.53 O ATOM 1228 ND2 ASN A 98 2.726 -9.514 -29.029 1.00 41.45 N ATOM 0 H ASN A 98 4.784 -10.056 -25.173 1.00 75.32 H new ATOM 0 HA ASN A 98 3.046 -9.019 -26.091 1.00 30.41 H new ATOM 0 HB2 ASN A 98 3.222 -11.394 -27.398 1.00 74.21 H new ATOM 0 HB3 ASN A 98 1.600 -11.554 -26.754 1.00 74.21 H new ATOM 0 HD21 ASN A 98 2.429 -8.913 -29.798 1.00 41.45 H new ATOM 0 HD22 ASN A 98 3.705 -9.788 -28.944 1.00 41.45 H new ATOM 1235 N LYS A 99 1.931 -9.696 -23.544 1.00 24.32 N ATOM 1236 CA LYS A 99 0.912 -9.594 -22.506 1.00 4.02 C ATOM 1237 C LYS A 99 0.149 -10.907 -22.362 1.00 73.53 C ATOM 1238 O LYS A 99 -1.050 -10.913 -22.086 1.00 14.32 O ATOM 1239 CB LYS A 99 -0.062 -8.459 -22.829 1.00 10.35 C ATOM 1240 CG LYS A 99 0.619 -7.120 -23.057 1.00 63.03 C ATOM 1241 CD LYS A 99 -0.291 -6.150 -23.791 1.00 33.00 C ATOM 1242 CE LYS A 99 0.497 -5.005 -24.409 1.00 35.24 C ATOM 1243 NZ LYS A 99 0.828 -5.266 -25.837 1.00 15.32 N ATOM 0 H LYS A 99 2.885 -9.552 -23.213 1.00 24.32 H new ATOM 0 HA LYS A 99 1.411 -9.379 -21.561 1.00 4.02 H new ATOM 0 HB2 LYS A 99 -0.633 -8.723 -23.719 1.00 10.35 H new ATOM 0 HB3 LYS A 99 -0.775 -8.360 -22.011 1.00 10.35 H new ATOM 0 HG2 LYS A 99 0.911 -6.692 -22.098 1.00 63.03 H new ATOM 0 HG3 LYS A 99 1.533 -7.269 -23.632 1.00 63.03 H new ATOM 0 HD2 LYS A 99 -0.836 -6.681 -24.571 1.00 33.00 H new ATOM 0 HD3 LYS A 99 -1.033 -5.751 -23.099 1.00 33.00 H new ATOM 0 HE2 LYS A 99 -0.081 -4.084 -24.333 1.00 35.24 H new ATOM 0 HE3 LYS A 99 1.417 -4.852 -23.845 1.00 35.24 H new ATOM 0 HZ1 LYS A 99 1.365 -4.463 -26.221 1.00 15.32 H new ATOM 0 HZ2 LYS A 99 1.401 -6.131 -25.908 1.00 15.32 H new ATOM 0 HZ3 LYS A 99 -0.050 -5.387 -26.380 1.00 15.32 H new ATOM 1257 N VAL A 100 0.853 -12.019 -22.549 1.00 53.04 N ATOM 1258 CA VAL A 100 0.241 -13.338 -22.438 1.00 25.30 C ATOM 1259 C VAL A 100 1.073 -14.256 -21.548 1.00 0.01 C ATOM 1260 O VAL A 100 2.267 -14.030 -21.349 1.00 23.12 O ATOM 1261 CB VAL A 100 0.073 -13.997 -23.820 1.00 21.13 C ATOM 1262 CG1 VAL A 100 1.235 -14.935 -24.110 1.00 53.22 C ATOM 1263 CG2 VAL A 100 -1.253 -14.738 -23.897 1.00 73.24 C ATOM 0 H VAL A 100 1.847 -12.033 -22.778 1.00 53.04 H new ATOM 0 HA VAL A 100 -0.742 -13.194 -21.990 1.00 25.30 H new ATOM 0 HB VAL A 100 0.072 -13.215 -24.579 1.00 21.13 H new ATOM 0 HG11 VAL A 100 1.098 -15.391 -25.091 1.00 53.22 H new ATOM 0 HG12 VAL A 100 2.168 -14.372 -24.098 1.00 53.22 H new ATOM 0 HG13 VAL A 100 1.272 -15.715 -23.349 1.00 53.22 H new ATOM 0 HG21 VAL A 100 -1.356 -15.198 -24.880 1.00 73.24 H new ATOM 0 HG22 VAL A 100 -1.283 -15.511 -23.129 1.00 73.24 H new ATOM 0 HG23 VAL A 100 -2.072 -14.036 -23.737 1.00 73.24 H new ATOM 1273 N HIS A 101 0.435 -15.292 -21.015 1.00 15.35 N ATOM 1274 CA HIS A 101 1.116 -16.245 -20.146 1.00 32.54 C ATOM 1275 C HIS A 101 1.658 -17.423 -20.951 1.00 14.30 C ATOM 1276 O HIS A 101 0.913 -18.101 -21.656 1.00 73.41 O ATOM 1277 CB HIS A 101 0.163 -16.750 -19.061 1.00 70.42 C ATOM 1278 CG HIS A 101 -1.156 -17.218 -19.594 1.00 54.11 C ATOM 1279 ND1 HIS A 101 -2.247 -16.387 -19.740 1.00 53.30 N ATOM 1280 CD2 HIS A 101 -1.557 -18.439 -20.017 1.00 75.45 C ATOM 1281 CE1 HIS A 101 -3.262 -17.078 -20.229 1.00 5.52 C ATOM 1282 NE2 HIS A 101 -2.869 -18.326 -20.406 1.00 43.21 N ATOM 0 H HIS A 101 -0.553 -15.493 -21.169 1.00 15.35 H new ATOM 0 HA HIS A 101 1.954 -15.733 -19.674 1.00 32.54 H new ATOM 0 HB2 HIS A 101 0.640 -17.569 -18.523 1.00 70.42 H new ATOM 0 HB3 HIS A 101 -0.009 -15.952 -18.339 1.00 70.42 H new ATOM 0 HD2 HIS A 101 -0.956 -19.336 -20.044 1.00 75.45 H new ATOM 0 HE1 HIS A 101 -4.245 -16.688 -20.447 1.00 5.52 H new ATOM 0 HE2 HIS A 101 -3.446 -19.083 -20.772 1.00 43.21 H new ATOM 1290 N VAL A 102 2.962 -17.657 -20.841 1.00 32.25 N ATOM 1291 CA VAL A 102 3.605 -18.752 -21.557 1.00 55.25 C ATOM 1292 C VAL A 102 3.645 -20.017 -20.708 1.00 73.10 C ATOM 1293 O VAL A 102 3.384 -21.115 -21.197 1.00 33.04 O ATOM 1294 CB VAL A 102 5.040 -18.382 -21.977 1.00 71.43 C ATOM 1295 CG1 VAL A 102 5.633 -19.467 -22.864 1.00 11.54 C ATOM 1296 CG2 VAL A 102 5.057 -17.035 -22.684 1.00 21.11 C ATOM 0 H VAL A 102 3.594 -17.103 -20.263 1.00 32.25 H new ATOM 0 HA VAL A 102 3.009 -18.938 -22.451 1.00 55.25 H new ATOM 0 HB VAL A 102 5.654 -18.303 -21.080 1.00 71.43 H new ATOM 0 HG11 VAL A 102 6.647 -19.188 -23.151 1.00 11.54 H new ATOM 0 HG12 VAL A 102 5.656 -20.410 -22.319 1.00 11.54 H new ATOM 0 HG13 VAL A 102 5.021 -19.580 -23.759 1.00 11.54 H new ATOM 0 HG21 VAL A 102 6.079 -16.789 -22.974 1.00 21.11 H new ATOM 0 HG22 VAL A 102 4.429 -17.083 -23.574 1.00 21.11 H new ATOM 0 HG23 VAL A 102 4.676 -16.266 -22.012 1.00 21.11 H new ATOM 1306 N GLY A 103 3.974 -19.855 -19.430 1.00 1.34 N ATOM 1307 CA GLY A 103 4.042 -20.992 -18.531 1.00 63.22 C ATOM 1308 C GLY A 103 5.455 -21.276 -18.062 1.00 64.42 C ATOM 1309 O GLY A 103 5.886 -20.776 -17.025 1.00 1.13 O ATOM 0 H GLY A 103 4.195 -18.956 -19.001 1.00 1.34 H new ATOM 0 HA2 GLY A 103 3.406 -20.806 -17.666 1.00 63.22 H new ATOM 0 HA3 GLY A 103 3.645 -21.874 -19.034 1.00 63.22 H new ATOM 1313 N GLY A 104 6.180 -22.085 -18.831 1.00 33.25 N ATOM 1314 CA GLY A 104 7.544 -22.423 -18.471 1.00 23.42 C ATOM 1315 C GLY A 104 7.624 -23.656 -17.592 1.00 65.41 C ATOM 1316 O GLY A 104 6.604 -24.149 -17.109 1.00 30.05 O ATOM 0 H GLY A 104 5.846 -22.511 -19.696 1.00 33.25 H new ATOM 0 HA2 GLY A 104 8.125 -22.589 -19.378 1.00 23.42 H new ATOM 0 HA3 GLY A 104 7.999 -21.580 -17.951 1.00 23.42 H new ATOM 1320 N CYS A 105 8.837 -24.157 -17.386 1.00 44.34 N ATOM 1321 CA CYS A 105 9.046 -25.342 -16.562 1.00 13.42 C ATOM 1322 C CYS A 105 8.519 -26.590 -17.262 1.00 62.01 C ATOM 1323 O CYS A 105 8.528 -27.683 -16.694 1.00 43.41 O ATOM 1324 CB CYS A 105 8.357 -25.173 -15.207 1.00 25.02 C ATOM 1325 SG CYS A 105 9.007 -26.252 -13.909 1.00 42.41 S ATOM 0 H CYS A 105 9.691 -23.761 -17.779 1.00 44.34 H new ATOM 0 HA CYS A 105 10.118 -25.461 -16.404 1.00 13.42 H new ATOM 0 HB2 CYS A 105 8.458 -24.136 -14.887 1.00 25.02 H new ATOM 0 HB3 CYS A 105 7.291 -25.368 -15.327 1.00 25.02 H new ATOM 0 HG CYS A 105 8.363 -26.034 -12.801 1.00 42.41 H new ATOM 1331 N ASP A 106 8.060 -26.421 -18.497 1.00 1.22 N ATOM 1332 CA ASP A 106 7.529 -27.534 -19.274 1.00 70.30 C ATOM 1333 C ASP A 106 6.901 -27.038 -20.573 1.00 34.24 C ATOM 1334 O ASP A 106 7.030 -27.674 -21.620 1.00 4.34 O ATOM 1335 CB ASP A 106 6.496 -28.309 -18.456 1.00 13.34 C ATOM 1336 CG ASP A 106 5.561 -29.126 -19.326 1.00 42.33 C ATOM 1337 OD1 ASP A 106 4.641 -28.532 -19.927 1.00 33.40 O ATOM 1338 OD2 ASP A 106 5.750 -30.358 -19.406 1.00 51.43 O ATOM 0 H ASP A 106 8.045 -25.524 -18.981 1.00 1.22 H new ATOM 0 HA ASP A 106 8.356 -28.199 -19.522 1.00 70.30 H new ATOM 0 HB2 ASP A 106 7.011 -28.971 -17.760 1.00 13.34 H new ATOM 0 HB3 ASP A 106 5.912 -27.610 -17.858 1.00 13.34 H new ATOM 1343 N ARG A 107 6.218 -25.901 -20.497 1.00 75.03 N ATOM 1344 CA ARG A 107 5.566 -25.321 -21.666 1.00 31.24 C ATOM 1345 C ARG A 107 6.550 -24.483 -22.476 1.00 42.44 C ATOM 1346 O ARG A 107 6.776 -24.742 -23.659 1.00 3.41 O ATOM 1347 CB ARG A 107 4.376 -24.460 -21.239 1.00 1.14 C ATOM 1348 CG ARG A 107 3.862 -23.544 -22.336 1.00 42.35 C ATOM 1349 CD ARG A 107 3.740 -24.277 -23.663 1.00 21.10 C ATOM 1350 NE ARG A 107 2.526 -23.905 -24.385 1.00 2.31 N ATOM 1351 CZ ARG A 107 1.319 -24.372 -24.084 1.00 43.30 C ATOM 1352 NH1 ARG A 107 1.166 -25.225 -23.080 1.00 40.23 N ATOM 1353 NH2 ARG A 107 0.262 -23.985 -24.788 1.00 4.25 N ATOM 0 H ARG A 107 6.101 -25.363 -19.639 1.00 75.03 H new ATOM 0 HA ARG A 107 5.207 -26.137 -22.293 1.00 31.24 H new ATOM 0 HB2 ARG A 107 3.566 -25.112 -20.912 1.00 1.14 H new ATOM 0 HB3 ARG A 107 4.666 -23.856 -20.379 1.00 1.14 H new ATOM 0 HG2 ARG A 107 2.890 -23.142 -22.050 1.00 42.35 H new ATOM 0 HG3 ARG A 107 4.537 -22.695 -22.449 1.00 42.35 H new ATOM 0 HD2 ARG A 107 4.611 -24.056 -24.280 1.00 21.10 H new ATOM 0 HD3 ARG A 107 3.740 -25.352 -23.484 1.00 21.10 H new ATOM 0 HE ARG A 107 2.609 -23.251 -25.163 1.00 2.31 H new ATOM 0 HH11 ARG A 107 1.976 -25.524 -22.537 1.00 40.23 H new ATOM 0 HH12 ARG A 107 0.238 -25.582 -22.851 1.00 40.23 H new ATOM 0 HH21 ARG A 107 0.376 -23.329 -25.561 1.00 4.25 H new ATOM 0 HH22 ARG A 107 -0.664 -24.344 -24.556 1.00 4.25 H new ATOM 1367 N THR A 108 7.132 -23.476 -21.833 1.00 20.15 N ATOM 1368 CA THR A 108 8.089 -22.598 -22.494 1.00 21.44 C ATOM 1369 C THR A 108 9.358 -23.354 -22.872 1.00 52.13 C ATOM 1370 O THR A 108 10.115 -22.921 -23.741 1.00 53.32 O ATOM 1371 CB THR A 108 8.465 -21.402 -21.598 1.00 22.31 C ATOM 1372 OG1 THR A 108 7.292 -20.870 -20.973 1.00 2.11 O ATOM 1373 CG2 THR A 108 9.152 -20.314 -22.410 1.00 12.45 C ATOM 0 H THR A 108 6.957 -23.248 -20.854 1.00 20.15 H new ATOM 0 HA THR A 108 7.607 -22.228 -23.399 1.00 21.44 H new ATOM 0 HB THR A 108 9.156 -21.753 -20.832 1.00 22.31 H new ATOM 0 HG1 THR A 108 7.327 -19.891 -20.991 1.00 2.11 H new ATOM 0 HG21 THR A 108 9.408 -19.480 -21.757 1.00 12.45 H new ATOM 0 HG22 THR A 108 10.060 -20.715 -22.860 1.00 12.45 H new ATOM 0 HG23 THR A 108 8.480 -19.967 -23.195 1.00 12.45 H new ATOM 1381 N PHE A 109 9.585 -24.487 -22.214 1.00 55.45 N ATOM 1382 CA PHE A 109 10.763 -25.303 -22.482 1.00 74.13 C ATOM 1383 C PHE A 109 10.521 -26.235 -23.666 1.00 74.42 C ATOM 1384 O PHE A 109 11.427 -26.501 -24.454 1.00 70.25 O ATOM 1385 CB PHE A 109 11.135 -26.120 -21.244 1.00 22.45 C ATOM 1386 CG PHE A 109 11.890 -25.332 -20.211 1.00 72.41 C ATOM 1387 CD1 PHE A 109 12.993 -24.575 -20.569 1.00 23.20 C ATOM 1388 CD2 PHE A 109 11.496 -25.351 -18.883 1.00 51.43 C ATOM 1389 CE1 PHE A 109 13.690 -23.849 -19.621 1.00 52.02 C ATOM 1390 CE2 PHE A 109 12.188 -24.626 -17.931 1.00 61.13 C ATOM 1391 CZ PHE A 109 13.287 -23.875 -18.300 1.00 1.12 C ATOM 0 H PHE A 109 8.969 -24.860 -21.492 1.00 55.45 H new ATOM 0 HA PHE A 109 11.588 -24.635 -22.730 1.00 74.13 H new ATOM 0 HB2 PHE A 109 10.225 -26.517 -20.793 1.00 22.45 H new ATOM 0 HB3 PHE A 109 11.738 -26.975 -21.550 1.00 22.45 H new ATOM 0 HD1 PHE A 109 13.312 -24.551 -21.600 1.00 23.20 H new ATOM 0 HD2 PHE A 109 10.639 -25.939 -18.588 1.00 51.43 H new ATOM 0 HE1 PHE A 109 14.548 -23.262 -19.913 1.00 52.02 H new ATOM 0 HE2 PHE A 109 11.870 -24.647 -16.899 1.00 61.13 H new ATOM 0 HZ PHE A 109 13.830 -23.309 -17.557 1.00 1.12 H new ATOM 1401 N GLN A 110 9.292 -26.727 -23.783 1.00 31.52 N ATOM 1402 CA GLN A 110 8.931 -27.631 -24.869 1.00 32.24 C ATOM 1403 C GLN A 110 8.564 -26.850 -26.126 1.00 61.30 C ATOM 1404 O GLN A 110 9.041 -27.156 -27.219 1.00 55.30 O ATOM 1405 CB GLN A 110 7.762 -28.524 -24.450 1.00 22.35 C ATOM 1406 CG GLN A 110 8.177 -29.703 -23.585 1.00 64.32 C ATOM 1407 CD GLN A 110 7.039 -30.235 -22.737 1.00 11.22 C ATOM 1408 OE1 GLN A 110 7.211 -30.510 -21.549 1.00 54.10 O ATOM 1409 NE2 GLN A 110 5.866 -30.381 -23.343 1.00 22.32 N ATOM 0 H GLN A 110 8.530 -26.515 -23.139 1.00 31.52 H new ATOM 0 HA GLN A 110 9.796 -28.257 -25.091 1.00 32.24 H new ATOM 0 HB2 GLN A 110 7.034 -27.923 -23.906 1.00 22.35 H new ATOM 0 HB3 GLN A 110 7.263 -28.898 -25.344 1.00 22.35 H new ATOM 0 HG2 GLN A 110 8.553 -30.502 -24.224 1.00 64.32 H new ATOM 0 HG3 GLN A 110 8.998 -29.401 -22.935 1.00 64.32 H new ATOM 0 HE21 GLN A 110 5.768 -30.141 -24.329 1.00 22.32 H new ATOM 0 HE22 GLN A 110 5.063 -30.733 -22.822 1.00 22.32 H new ATOM 1418 N ALA A 111 7.714 -25.841 -25.965 1.00 35.25 N ATOM 1419 CA ALA A 111 7.284 -25.017 -27.087 1.00 1.44 C ATOM 1420 C ALA A 111 8.481 -24.506 -27.882 1.00 13.05 C ATOM 1421 O ALA A 111 8.379 -24.254 -29.082 1.00 40.24 O ATOM 1422 CB ALA A 111 6.440 -23.851 -26.592 1.00 44.50 C ATOM 0 H ALA A 111 7.310 -25.575 -25.067 1.00 35.25 H new ATOM 0 HA ALA A 111 6.678 -25.635 -27.749 1.00 1.44 H new ATOM 0 HB1 ALA A 111 6.125 -23.243 -27.441 1.00 44.50 H new ATOM 0 HB2 ALA A 111 5.561 -24.233 -26.073 1.00 44.50 H new ATOM 0 HB3 ALA A 111 7.029 -23.241 -25.907 1.00 44.50 H new ATOM 1428 N HIS A 112 9.615 -24.354 -27.205 1.00 13.34 N ATOM 1429 CA HIS A 112 10.831 -23.873 -27.848 1.00 43.43 C ATOM 1430 C HIS A 112 11.308 -24.856 -28.913 1.00 13.31 C ATOM 1431 O HIS A 112 11.665 -24.458 -30.021 1.00 65.24 O ATOM 1432 CB HIS A 112 11.932 -23.655 -26.809 1.00 54.02 C ATOM 1433 CG HIS A 112 13.302 -23.538 -27.403 1.00 33.20 C ATOM 1434 ND1 HIS A 112 14.353 -24.352 -27.035 1.00 51.31 N ATOM 1435 CD2 HIS A 112 13.789 -22.699 -28.346 1.00 4.33 C ATOM 1436 CE1 HIS A 112 15.429 -24.016 -27.724 1.00 61.54 C ATOM 1437 NE2 HIS A 112 15.114 -23.016 -28.528 1.00 32.15 N ATOM 0 H HIS A 112 9.716 -24.557 -26.211 1.00 13.34 H new ATOM 0 HA HIS A 112 10.605 -22.922 -28.331 1.00 43.43 H new ATOM 0 HB2 HIS A 112 11.712 -22.750 -26.243 1.00 54.02 H new ATOM 0 HB3 HIS A 112 11.921 -24.484 -26.101 1.00 54.02 H new ATOM 0 HD2 HIS A 112 13.239 -21.924 -28.860 1.00 4.33 H new ATOM 0 HE1 HIS A 112 16.401 -24.480 -27.644 1.00 61.54 H new ATOM 0 HE2 HIS A 112 15.750 -22.554 -29.178 1.00 32.15 H new ATOM 1445 N GLN A 113 11.311 -26.139 -28.568 1.00 55.22 N ATOM 1446 CA GLN A 113 11.745 -27.178 -29.494 1.00 43.40 C ATOM 1447 C GLN A 113 10.586 -27.647 -30.369 1.00 43.20 C ATOM 1448 O GLN A 113 10.795 -28.220 -31.437 1.00 24.12 O ATOM 1449 CB GLN A 113 12.332 -28.363 -28.726 1.00 15.01 C ATOM 1450 CG GLN A 113 13.614 -28.031 -27.980 1.00 54.20 C ATOM 1451 CD GLN A 113 14.112 -29.185 -27.133 1.00 52.13 C ATOM 1452 OE1 GLN A 113 14.769 -30.099 -27.632 1.00 31.21 O ATOM 1453 NE2 GLN A 113 13.802 -29.149 -25.842 1.00 71.13 N ATOM 0 H GLN A 113 11.018 -26.484 -27.654 1.00 55.22 H new ATOM 0 HA GLN A 113 12.515 -26.755 -30.139 1.00 43.40 H new ATOM 0 HB2 GLN A 113 11.591 -28.726 -28.014 1.00 15.01 H new ATOM 0 HB3 GLN A 113 12.528 -29.176 -29.425 1.00 15.01 H new ATOM 0 HG2 GLN A 113 14.386 -27.753 -28.698 1.00 54.20 H new ATOM 0 HG3 GLN A 113 13.444 -27.164 -27.342 1.00 54.20 H new ATOM 0 HE21 GLN A 113 13.255 -28.372 -25.470 1.00 71.13 H new ATOM 0 HE22 GLN A 113 14.111 -29.898 -25.222 1.00 71.13 H new ATOM 1462 N ASN A 114 9.365 -27.398 -29.907 1.00 73.11 N ATOM 1463 CA ASN A 114 8.173 -27.795 -30.647 1.00 71.42 C ATOM 1464 C ASN A 114 7.773 -26.720 -31.654 1.00 5.05 C ATOM 1465 O ASN A 114 6.990 -26.971 -32.568 1.00 44.11 O ATOM 1466 CB ASN A 114 7.015 -28.064 -29.684 1.00 3.23 C ATOM 1467 CG ASN A 114 6.968 -29.508 -29.225 1.00 64.21 C ATOM 1468 OD1 ASN A 114 7.148 -30.431 -30.021 1.00 14.34 O ATOM 1469 ND2 ASN A 114 6.726 -29.712 -27.935 1.00 54.55 N ATOM 0 H ASN A 114 9.175 -26.923 -29.024 1.00 73.11 H new ATOM 0 HA ASN A 114 8.403 -28.710 -31.192 1.00 71.42 H new ATOM 0 HB2 ASN A 114 7.110 -27.412 -28.815 1.00 3.23 H new ATOM 0 HB3 ASN A 114 6.074 -27.810 -30.172 1.00 3.23 H new ATOM 0 HD21 ASN A 114 6.683 -30.663 -27.568 1.00 54.55 H new ATOM 0 HD22 ASN A 114 6.583 -28.918 -27.311 1.00 54.55 H new ATOM 1476 N GLY A 115 8.318 -25.520 -31.477 1.00 0.32 N ATOM 1477 CA GLY A 115 8.007 -24.424 -32.376 1.00 22.53 C ATOM 1478 C GLY A 115 6.792 -23.635 -31.930 1.00 31.42 C ATOM 1479 O GLY A 115 6.460 -22.606 -32.520 1.00 72.24 O ATOM 0 H GLY A 115 8.969 -25.288 -30.727 1.00 0.32 H new ATOM 0 HA2 GLY A 115 8.866 -23.756 -32.441 1.00 22.53 H new ATOM 0 HA3 GLY A 115 7.833 -24.818 -33.377 1.00 22.53 H new ATOM 1483 N LEU A 116 6.126 -24.117 -30.886 1.00 74.41 N ATOM 1484 CA LEU A 116 4.939 -23.450 -30.362 1.00 31.40 C ATOM 1485 C LEU A 116 5.310 -22.144 -29.667 1.00 62.25 C ATOM 1486 O LEU A 116 4.457 -21.283 -29.445 1.00 43.13 O ATOM 1487 CB LEU A 116 4.203 -24.370 -29.385 1.00 44.13 C ATOM 1488 CG LEU A 116 3.196 -23.693 -28.455 1.00 51.23 C ATOM 1489 CD1 LEU A 116 2.133 -22.963 -29.261 1.00 52.44 C ATOM 1490 CD2 LEU A 116 2.556 -24.715 -27.527 1.00 3.40 C ATOM 0 H LEU A 116 6.388 -24.967 -30.386 1.00 74.41 H new ATOM 0 HA LEU A 116 4.282 -23.220 -31.200 1.00 31.40 H new ATOM 0 HB2 LEU A 116 3.680 -25.134 -29.960 1.00 44.13 H new ATOM 0 HB3 LEU A 116 4.944 -24.884 -28.773 1.00 44.13 H new ATOM 0 HG LEU A 116 3.727 -22.962 -27.846 1.00 51.23 H new ATOM 0 HD11 LEU A 116 1.425 -22.487 -28.583 1.00 52.44 H new ATOM 0 HD12 LEU A 116 2.606 -22.203 -29.883 1.00 52.44 H new ATOM 0 HD13 LEU A 116 1.605 -23.675 -29.896 1.00 52.44 H new ATOM 0 HD21 LEU A 116 1.842 -24.215 -26.872 1.00 3.40 H new ATOM 0 HD22 LEU A 116 2.039 -25.470 -28.119 1.00 3.40 H new ATOM 0 HD23 LEU A 116 3.328 -25.193 -26.924 1.00 3.40 H new ATOM 1502 N LEU A 117 6.586 -22.002 -29.329 1.00 25.34 N ATOM 1503 CA LEU A 117 7.072 -20.800 -28.661 1.00 51.23 C ATOM 1504 C LEU A 117 7.474 -19.737 -29.678 1.00 42.23 C ATOM 1505 O LEU A 117 7.050 -18.586 -29.588 1.00 62.12 O ATOM 1506 CB LEU A 117 8.262 -21.137 -27.761 1.00 34.21 C ATOM 1507 CG LEU A 117 8.433 -20.260 -26.519 1.00 44.03 C ATOM 1508 CD1 LEU A 117 7.249 -20.428 -25.579 1.00 53.33 C ATOM 1509 CD2 LEU A 117 9.734 -20.596 -25.805 1.00 60.43 C ATOM 0 H LEU A 117 7.304 -22.705 -29.507 1.00 25.34 H new ATOM 0 HA LEU A 117 6.263 -20.403 -28.048 1.00 51.23 H new ATOM 0 HB2 LEU A 117 8.166 -22.174 -27.439 1.00 34.21 H new ATOM 0 HB3 LEU A 117 9.173 -21.071 -28.356 1.00 34.21 H new ATOM 0 HG LEU A 117 8.473 -19.218 -26.836 1.00 44.03 H new ATOM 0 HD11 LEU A 117 7.389 -19.797 -24.702 1.00 53.33 H new ATOM 0 HD12 LEU A 117 6.333 -20.138 -26.093 1.00 53.33 H new ATOM 0 HD13 LEU A 117 7.176 -21.470 -25.268 1.00 53.33 H new ATOM 0 HD21 LEU A 117 9.840 -19.963 -24.924 1.00 60.43 H new ATOM 0 HD22 LEU A 117 9.722 -21.643 -25.500 1.00 60.43 H new ATOM 0 HD23 LEU A 117 10.574 -20.424 -26.478 1.00 60.43 H new ATOM 1521 N GLN A 118 8.295 -20.134 -30.646 1.00 41.44 N ATOM 1522 CA GLN A 118 8.754 -19.215 -31.682 1.00 52.32 C ATOM 1523 C GLN A 118 7.574 -18.623 -32.446 1.00 62.54 C ATOM 1524 O GLN A 118 7.606 -17.464 -32.861 1.00 23.22 O ATOM 1525 CB GLN A 118 9.696 -19.933 -32.650 1.00 12.01 C ATOM 1526 CG GLN A 118 8.975 -20.795 -33.673 1.00 33.30 C ATOM 1527 CD GLN A 118 8.556 -20.013 -34.903 1.00 71.12 C ATOM 1528 OE1 GLN A 118 7.376 -19.973 -35.256 1.00 23.44 O ATOM 1529 NE2 GLN A 118 9.522 -19.386 -35.564 1.00 1.04 N ATOM 0 H GLN A 118 8.655 -21.084 -30.734 1.00 41.44 H new ATOM 0 HA GLN A 118 9.294 -18.402 -31.198 1.00 52.32 H new ATOM 0 HB2 GLN A 118 10.300 -19.192 -33.173 1.00 12.01 H new ATOM 0 HB3 GLN A 118 10.382 -20.558 -32.079 1.00 12.01 H new ATOM 0 HG2 GLN A 118 9.625 -21.616 -33.973 1.00 33.30 H new ATOM 0 HG3 GLN A 118 8.093 -21.239 -33.211 1.00 33.30 H new ATOM 0 HE21 GLN A 118 10.486 -19.446 -35.236 1.00 1.04 H new ATOM 0 HE22 GLN A 118 9.300 -18.844 -36.399 1.00 1.04 H new ATOM 1538 N LYS A 119 6.533 -19.427 -32.632 1.00 14.04 N ATOM 1539 CA LYS A 119 5.341 -18.985 -33.345 1.00 53.04 C ATOM 1540 C LYS A 119 4.531 -18.009 -32.499 1.00 54.13 C ATOM 1541 O LYS A 119 3.745 -17.219 -33.025 1.00 64.14 O ATOM 1542 CB LYS A 119 4.474 -20.187 -33.728 1.00 4.04 C ATOM 1543 CG LYS A 119 4.039 -21.025 -32.538 1.00 51.33 C ATOM 1544 CD LYS A 119 2.702 -20.559 -31.987 1.00 52.23 C ATOM 1545 CE LYS A 119 1.560 -21.435 -32.480 1.00 42.34 C ATOM 1546 NZ LYS A 119 0.514 -20.639 -33.182 1.00 35.23 N ATOM 0 H LYS A 119 6.491 -20.390 -32.298 1.00 14.04 H new ATOM 0 HA LYS A 119 5.661 -18.473 -34.252 1.00 53.04 H new ATOM 0 HB2 LYS A 119 3.589 -19.833 -34.256 1.00 4.04 H new ATOM 0 HB3 LYS A 119 5.028 -20.818 -34.423 1.00 4.04 H new ATOM 0 HG2 LYS A 119 3.966 -22.071 -32.836 1.00 51.33 H new ATOM 0 HG3 LYS A 119 4.796 -20.968 -31.756 1.00 51.33 H new ATOM 0 HD2 LYS A 119 2.731 -20.576 -30.898 1.00 52.23 H new ATOM 0 HD3 LYS A 119 2.524 -19.526 -32.285 1.00 52.23 H new ATOM 0 HE2 LYS A 119 1.951 -22.196 -33.155 1.00 42.34 H new ATOM 0 HE3 LYS A 119 1.112 -21.958 -31.635 1.00 42.34 H new ATOM 0 HZ1 LYS A 119 -0.247 -21.272 -33.503 1.00 35.23 H new ATOM 0 HZ2 LYS A 119 0.122 -19.929 -32.531 1.00 35.23 H new ATOM 0 HZ3 LYS A 119 0.935 -20.160 -34.003 1.00 35.23 H new ATOM 1560 N LEU A 120 4.727 -18.067 -31.187 1.00 72.01 N ATOM 1561 CA LEU A 120 4.014 -17.186 -30.267 1.00 60.41 C ATOM 1562 C LEU A 120 4.731 -15.847 -30.131 1.00 54.01 C ATOM 1563 O LEU A 120 4.099 -14.789 -30.138 1.00 72.43 O ATOM 1564 CB LEU A 120 3.883 -17.850 -28.894 1.00 52.44 C ATOM 1565 CG LEU A 120 3.078 -17.075 -27.850 1.00 23.22 C ATOM 1566 CD1 LEU A 120 1.697 -17.685 -27.680 1.00 74.43 C ATOM 1567 CD2 LEU A 120 3.818 -17.047 -26.519 1.00 61.44 C ATOM 0 H LEU A 120 5.373 -18.714 -30.735 1.00 72.01 H new ATOM 0 HA LEU A 120 3.019 -17.004 -30.673 1.00 60.41 H new ATOM 0 HB2 LEU A 120 3.421 -18.828 -29.028 1.00 52.44 H new ATOM 0 HB3 LEU A 120 4.884 -18.022 -28.498 1.00 52.44 H new ATOM 0 HG LEU A 120 2.959 -16.049 -28.199 1.00 23.22 H new ATOM 0 HD11 LEU A 120 1.139 -17.120 -26.933 1.00 74.43 H new ATOM 0 HD12 LEU A 120 1.165 -17.653 -28.631 1.00 74.43 H new ATOM 0 HD13 LEU A 120 1.794 -18.720 -27.354 1.00 74.43 H new ATOM 0 HD21 LEU A 120 3.231 -16.491 -25.788 1.00 61.44 H new ATOM 0 HD22 LEU A 120 3.968 -18.067 -26.165 1.00 61.44 H new ATOM 0 HD23 LEU A 120 4.786 -16.563 -26.651 1.00 61.44 H new ATOM 1579 N LEU A 121 6.052 -15.898 -30.009 1.00 61.12 N ATOM 1580 CA LEU A 121 6.857 -14.689 -29.874 1.00 53.30 C ATOM 1581 C LEU A 121 6.785 -13.844 -31.142 1.00 54.53 C ATOM 1582 O LEU A 121 6.986 -12.630 -31.102 1.00 22.33 O ATOM 1583 CB LEU A 121 8.312 -15.050 -29.570 1.00 55.14 C ATOM 1584 CG LEU A 121 8.535 -15.998 -28.391 1.00 33.40 C ATOM 1585 CD1 LEU A 121 9.918 -15.791 -27.795 1.00 61.34 C ATOM 1586 CD2 LEU A 121 7.460 -15.796 -27.332 1.00 43.33 C ATOM 0 H LEU A 121 6.590 -16.765 -30.001 1.00 61.12 H new ATOM 0 HA LEU A 121 6.455 -14.105 -29.046 1.00 53.30 H new ATOM 0 HB2 LEU A 121 8.747 -15.502 -30.461 1.00 55.14 H new ATOM 0 HB3 LEU A 121 8.862 -14.129 -29.379 1.00 55.14 H new ATOM 0 HG LEU A 121 8.468 -17.023 -28.756 1.00 33.40 H new ATOM 0 HD11 LEU A 121 10.059 -16.474 -26.957 1.00 61.34 H new ATOM 0 HD12 LEU A 121 10.675 -15.987 -28.555 1.00 61.34 H new ATOM 0 HD13 LEU A 121 10.013 -14.763 -27.445 1.00 61.34 H new ATOM 0 HD21 LEU A 121 7.635 -16.479 -26.501 1.00 43.33 H new ATOM 0 HD22 LEU A 121 7.494 -14.768 -26.970 1.00 43.33 H new ATOM 0 HD23 LEU A 121 6.480 -15.996 -27.766 1.00 43.33 H new ATOM 1598 N GLN A 122 6.495 -14.493 -32.265 1.00 41.01 N ATOM 1599 CA GLN A 122 6.396 -13.800 -33.544 1.00 34.22 C ATOM 1600 C GLN A 122 5.221 -12.827 -33.546 1.00 0.03 C ATOM 1601 O GLN A 122 5.199 -11.868 -34.318 1.00 0.14 O ATOM 1602 CB GLN A 122 6.239 -14.808 -34.683 1.00 3.30 C ATOM 1603 CG GLN A 122 7.529 -15.533 -35.036 1.00 13.43 C ATOM 1604 CD GLN A 122 8.157 -15.015 -36.314 1.00 24.20 C ATOM 1605 OE1 GLN A 122 9.125 -14.255 -36.281 1.00 1.43 O ATOM 1606 NE2 GLN A 122 7.610 -15.428 -37.452 1.00 2.43 N ATOM 0 H GLN A 122 6.325 -15.497 -32.315 1.00 41.01 H new ATOM 0 HA GLN A 122 7.315 -13.233 -33.694 1.00 34.22 H new ATOM 0 HB2 GLN A 122 5.483 -15.543 -34.405 1.00 3.30 H new ATOM 0 HB3 GLN A 122 5.870 -14.289 -35.568 1.00 3.30 H new ATOM 0 HG2 GLN A 122 8.239 -15.424 -34.216 1.00 13.43 H new ATOM 0 HG3 GLN A 122 7.326 -16.599 -35.141 1.00 13.43 H new ATOM 0 HE21 GLN A 122 6.808 -16.058 -37.433 1.00 2.43 H new ATOM 0 HE22 GLN A 122 7.992 -15.115 -38.345 1.00 2.43 H new ATOM 1615 N ASP A 123 4.248 -13.080 -32.678 1.00 20.13 N ATOM 1616 CA ASP A 123 3.071 -12.226 -32.579 1.00 34.21 C ATOM 1617 C ASP A 123 2.117 -12.736 -31.503 1.00 23.33 C ATOM 1618 O ASP A 123 1.693 -11.983 -30.626 1.00 60.03 O ATOM 1619 CB ASP A 123 2.349 -12.157 -33.925 1.00 62.42 C ATOM 1620 CG ASP A 123 1.879 -10.756 -34.261 1.00 1.25 C ATOM 1621 OD1 ASP A 123 0.969 -10.253 -33.567 1.00 60.44 O ATOM 1622 OD2 ASP A 123 2.421 -10.160 -35.214 1.00 1.44 O ATOM 0 H ASP A 123 4.251 -13.870 -32.033 1.00 20.13 H new ATOM 0 HA ASP A 123 3.403 -11.226 -32.301 1.00 34.21 H new ATOM 0 HB2 ASP A 123 3.017 -12.511 -34.710 1.00 62.42 H new ATOM 0 HB3 ASP A 123 1.492 -12.830 -33.909 1.00 62.42 H new ATOM 1627 N ASP A 124 1.784 -14.020 -31.576 1.00 24.23 N ATOM 1628 CA ASP A 124 0.881 -14.632 -30.608 1.00 60.32 C ATOM 1629 C ASP A 124 0.695 -16.118 -30.903 1.00 14.23 C ATOM 1630 O ASP A 124 0.675 -16.532 -32.063 1.00 22.33 O ATOM 1631 CB ASP A 124 -0.473 -13.923 -30.622 1.00 12.32 C ATOM 1632 CG ASP A 124 -0.984 -13.678 -32.028 1.00 42.34 C ATOM 1633 OD1 ASP A 124 -1.687 -14.559 -32.565 1.00 51.11 O ATOM 1634 OD2 ASP A 124 -0.680 -12.606 -32.592 1.00 63.03 O ATOM 0 H ASP A 124 2.126 -14.657 -32.295 1.00 24.23 H new ATOM 0 HA ASP A 124 1.325 -14.529 -29.618 1.00 60.32 H new ATOM 0 HB2 ASP A 124 -1.200 -14.523 -30.074 1.00 12.32 H new ATOM 0 HB3 ASP A 124 -0.387 -12.971 -30.099 1.00 12.32 H new TER 1639 ASP A 124