USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 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 110 GLN : amide:sc= -1.38 K(o=-3,f=-13!) USER MOD Set 1.2: A 114 ASN : amide:sc= -1.62 X(o=-3,f=-2.7) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 154:sc= 0.488 (180deg=0) USER MOD Set 2.2: A 48 CYS SG : rot 1:sc= -0.375 USER MOD Set 3.1: A 44 SER OG : rot -148:sc= 1.22 USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 1.11 USER MOD Set 4.1: A 38 ASN : amide:sc= -0.36 X(o=-5.2,f=-4.9) USER MOD Set 4.2: A 41 MET CE :methyl 174:sc= -4.85! (180deg=-4.68!) 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 50 HIS : no HD1:sc= -0.951 X(o=-0.95,f=-1) USER MOD Single : A 51 SER OG : rot -72:sc= -2.65 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 -2:sc= 0.8! USER MOD Single : A 65 TYR OH : rot -64:sc= -0.542 USER MOD Single : A 66 ASN : amide:sc= -0.135 K(o=-0.13,f=-4.8!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.7 K(o=-1.7,f=-5.1!) USER MOD Single : A 84 THR OG1 : rot 89:sc= 0.346 USER MOD Single : A 87 SER OG : rot 150:sc= 0.0297 USER MOD Single : A 88 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.29) USER MOD Single : A 89 GLN : amide:sc= -2.85 K(o=-2.8,f=-1.6) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 94 ASN : amide:sc= -0.512 X(o=-0.51,f=-1) USER MOD Single : A 98 ASN : amide:sc= 0.0182 K(o=0.018,f=-4.4!) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= -0.253 (180deg=-1.2) USER MOD Single : A 101 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.35) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -125:sc= -1.18 USER MOD Single : A 112 HIS : no HD1:sc= -0.929 X(o=-0.93,f=-0.79) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) 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=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 0.747 0.203 -0.070 1.00 10.01 N ATOM 2 CA ALA A 23 1.630 0.206 -1.230 1.00 24.21 C ATOM 3 C ALA A 23 1.832 -1.207 -1.769 1.00 54.15 C ATOM 4 O ALA A 23 2.228 -1.391 -2.920 1.00 40.04 O ATOM 5 CB ALA A 23 2.970 0.832 -0.871 1.00 51.03 C ATOM 0 HA ALA A 23 1.160 0.802 -2.012 1.00 24.21 H new ATOM 0 HB1 ALA A 23 3.620 0.828 -1.746 1.00 51.03 H new ATOM 0 HB2 ALA A 23 2.815 1.859 -0.539 1.00 51.03 H new ATOM 0 HB3 ALA A 23 3.437 0.259 -0.070 1.00 51.03 H new ATOM 11 N ARG A 24 1.557 -2.200 -0.930 1.00 64.53 N ATOM 12 CA ARG A 24 1.710 -3.596 -1.323 1.00 42.43 C ATOM 13 C ARG A 24 0.992 -3.872 -2.641 1.00 12.45 C ATOM 14 O ARG A 24 1.411 -4.727 -3.420 1.00 2.14 O ATOM 15 CB ARG A 24 1.165 -4.518 -0.230 1.00 43.34 C ATOM 16 CG ARG A 24 -0.253 -4.181 0.200 1.00 5.42 C ATOM 17 CD ARG A 24 -1.171 -5.387 0.087 1.00 32.14 C ATOM 18 NE ARG A 24 -2.395 -5.217 0.864 1.00 33.44 N ATOM 19 CZ ARG A 24 -3.187 -6.223 1.218 1.00 32.44 C ATOM 20 NH1 ARG A 24 -2.883 -7.465 0.867 1.00 13.12 N ATOM 21 NH2 ARG A 24 -4.285 -5.989 1.926 1.00 54.42 N ATOM 0 H ARG A 24 1.227 -2.064 0.026 1.00 64.53 H new ATOM 0 HA ARG A 24 2.773 -3.794 -1.460 1.00 42.43 H new ATOM 0 HB2 ARG A 24 1.192 -5.547 -0.588 1.00 43.34 H new ATOM 0 HB3 ARG A 24 1.821 -4.465 0.639 1.00 43.34 H new ATOM 0 HG2 ARG A 24 -0.247 -3.823 1.229 1.00 5.42 H new ATOM 0 HG3 ARG A 24 -0.639 -3.370 -0.418 1.00 5.42 H new ATOM 0 HD2 ARG A 24 -1.426 -5.552 -0.960 1.00 32.14 H new ATOM 0 HD3 ARG A 24 -0.644 -6.277 0.431 1.00 32.14 H new ATOM 0 HE ARG A 24 -2.657 -4.274 1.151 1.00 33.44 H new ATOM 0 HH11 ARG A 24 -2.039 -7.650 0.324 1.00 13.12 H new ATOM 0 HH12 ARG A 24 -3.493 -8.236 1.140 1.00 13.12 H new ATOM 0 HH21 ARG A 24 -4.522 -5.035 2.199 1.00 54.42 H new ATOM 0 HH22 ARG A 24 -4.892 -6.763 2.197 1.00 54.42 H new ATOM 35 N GLU A 25 -0.092 -3.141 -2.883 1.00 21.35 N ATOM 36 CA GLU A 25 -0.869 -3.309 -4.105 1.00 62.24 C ATOM 37 C GLU A 25 -0.170 -2.645 -5.288 1.00 73.24 C ATOM 38 O GLU A 25 -0.216 -3.149 -6.411 1.00 2.41 O ATOM 39 CB GLU A 25 -2.270 -2.721 -3.930 1.00 52.44 C ATOM 40 CG GLU A 25 -3.298 -3.731 -3.448 1.00 1.43 C ATOM 41 CD GLU A 25 -4.405 -3.966 -4.457 1.00 43.55 C ATOM 42 OE1 GLU A 25 -4.124 -3.892 -5.672 1.00 15.12 O ATOM 43 OE2 GLU A 25 -5.550 -4.224 -4.032 1.00 1.50 O ATOM 0 H GLU A 25 -0.451 -2.427 -2.249 1.00 21.35 H new ATOM 0 HA GLU A 25 -0.955 -4.377 -4.308 1.00 62.24 H new ATOM 0 HB2 GLU A 25 -2.222 -1.896 -3.219 1.00 52.44 H new ATOM 0 HB3 GLU A 25 -2.601 -2.304 -4.881 1.00 52.44 H new ATOM 0 HG2 GLU A 25 -2.800 -4.677 -3.234 1.00 1.43 H new ATOM 0 HG3 GLU A 25 -3.733 -3.382 -2.512 1.00 1.43 H new ATOM 50 N GLU A 26 0.475 -1.512 -5.028 1.00 73.02 N ATOM 51 CA GLU A 26 1.181 -0.779 -6.072 1.00 13.21 C ATOM 52 C GLU A 26 2.231 -1.661 -6.741 1.00 22.34 C ATOM 53 O GLU A 26 2.410 -1.619 -7.958 1.00 72.24 O ATOM 54 CB GLU A 26 1.845 0.470 -5.488 1.00 72.12 C ATOM 55 CG GLU A 26 1.766 1.683 -6.399 1.00 14.11 C ATOM 56 CD GLU A 26 2.245 2.953 -5.723 1.00 32.12 C ATOM 57 OE1 GLU A 26 2.052 3.080 -4.496 1.00 21.45 O ATOM 58 OE2 GLU A 26 2.812 3.820 -6.420 1.00 73.32 O ATOM 0 H GLU A 26 0.523 -1.082 -4.104 1.00 73.02 H new ATOM 0 HA GLU A 26 0.453 -0.477 -6.825 1.00 13.21 H new ATOM 0 HB2 GLU A 26 1.373 0.710 -4.535 1.00 72.12 H new ATOM 0 HB3 GLU A 26 2.892 0.251 -5.279 1.00 72.12 H new ATOM 0 HG2 GLU A 26 2.366 1.502 -7.291 1.00 14.11 H new ATOM 0 HG3 GLU A 26 0.736 1.818 -6.729 1.00 14.11 H new ATOM 65 N LEU A 27 2.925 -2.459 -5.936 1.00 30.30 N ATOM 66 CA LEU A 27 3.958 -3.351 -6.448 1.00 65.43 C ATOM 67 C LEU A 27 3.359 -4.399 -7.382 1.00 2.31 C ATOM 68 O LEU A 27 3.741 -4.495 -8.549 1.00 14.20 O ATOM 69 CB LEU A 27 4.685 -4.039 -5.292 1.00 42.10 C ATOM 70 CG LEU A 27 5.265 -5.422 -5.590 1.00 74.30 C ATOM 71 CD1 LEU A 27 6.416 -5.317 -6.578 1.00 74.33 C ATOM 72 CD2 LEU A 27 5.721 -6.099 -4.306 1.00 14.43 C ATOM 0 H LEU A 27 2.790 -2.506 -4.926 1.00 30.30 H new ATOM 0 HA LEU A 27 4.672 -2.752 -7.013 1.00 65.43 H new ATOM 0 HB2 LEU A 27 5.497 -3.390 -4.963 1.00 42.10 H new ATOM 0 HB3 LEU A 27 3.991 -4.131 -4.456 1.00 42.10 H new ATOM 0 HG LEU A 27 4.482 -6.033 -6.040 1.00 74.30 H new ATOM 0 HD11 LEU A 27 6.816 -6.311 -6.778 1.00 74.33 H new ATOM 0 HD12 LEU A 27 6.058 -4.876 -7.508 1.00 74.33 H new ATOM 0 HD13 LEU A 27 7.201 -4.688 -6.157 1.00 74.33 H new ATOM 0 HD21 LEU A 27 6.131 -7.082 -4.539 1.00 14.43 H new ATOM 0 HD22 LEU A 27 6.488 -5.491 -3.826 1.00 14.43 H new ATOM 0 HD23 LEU A 27 4.872 -6.210 -3.632 1.00 14.43 H new ATOM 84 N ARG A 28 2.419 -5.180 -6.861 1.00 54.35 N ATOM 85 CA ARG A 28 1.766 -6.219 -7.649 1.00 3.01 C ATOM 86 C ARG A 28 1.178 -5.640 -8.932 1.00 33.32 C ATOM 87 O ARG A 28 1.017 -6.347 -9.926 1.00 62.23 O ATOM 88 CB ARG A 28 0.665 -6.894 -6.829 1.00 15.15 C ATOM 89 CG ARG A 28 0.517 -8.379 -7.114 1.00 70.43 C ATOM 90 CD ARG A 28 -0.057 -8.626 -8.500 1.00 12.22 C ATOM 91 NE ARG A 28 -0.752 -9.907 -8.584 1.00 72.24 N ATOM 92 CZ ARG A 28 -1.990 -10.102 -8.144 1.00 60.31 C ATOM 93 NH1 ARG A 28 -2.666 -9.104 -7.591 1.00 54.04 N ATOM 94 NH2 ARG A 28 -2.555 -11.298 -8.257 1.00 2.13 N ATOM 0 H ARG A 28 2.092 -5.113 -5.897 1.00 54.35 H new ATOM 0 HA ARG A 28 2.517 -6.962 -7.918 1.00 3.01 H new ATOM 0 HB2 ARG A 28 0.877 -6.756 -5.769 1.00 15.15 H new ATOM 0 HB3 ARG A 28 -0.284 -6.397 -7.032 1.00 15.15 H new ATOM 0 HG2 ARG A 28 1.489 -8.865 -7.030 1.00 70.43 H new ATOM 0 HG3 ARG A 28 -0.132 -8.831 -6.364 1.00 70.43 H new ATOM 0 HD2 ARG A 28 -0.747 -7.822 -8.755 1.00 12.22 H new ATOM 0 HD3 ARG A 28 0.747 -8.601 -9.235 1.00 12.22 H new ATOM 0 HE ARG A 28 -0.260 -10.696 -9.004 1.00 72.24 H new ATOM 0 HH11 ARG A 28 -2.235 -8.184 -7.503 1.00 54.04 H new ATOM 0 HH12 ARG A 28 -3.617 -9.257 -7.254 1.00 54.04 H new ATOM 0 HH21 ARG A 28 -2.038 -12.068 -8.682 1.00 2.13 H new ATOM 0 HH22 ARG A 28 -3.506 -11.447 -7.919 1.00 2.13 H new ATOM 108 N ARG A 29 0.859 -4.350 -8.902 1.00 32.52 N ATOM 109 CA ARG A 29 0.287 -3.677 -10.062 1.00 1.04 C ATOM 110 C ARG A 29 1.361 -3.382 -11.104 1.00 30.40 C ATOM 111 O ARG A 29 1.067 -3.243 -12.291 1.00 34.44 O ATOM 112 CB ARG A 29 -0.397 -2.376 -9.636 1.00 72.35 C ATOM 113 CG ARG A 29 -1.855 -2.289 -10.056 1.00 23.13 C ATOM 114 CD ARG A 29 -2.747 -3.112 -9.140 1.00 34.34 C ATOM 115 NE ARG A 29 -4.161 -2.789 -9.318 1.00 1.40 N ATOM 116 CZ ARG A 29 -4.747 -1.727 -8.774 1.00 24.42 C ATOM 117 NH1 ARG A 29 -4.044 -0.892 -8.021 1.00 73.31 N ATOM 118 NH2 ARG A 29 -6.038 -1.501 -8.982 1.00 24.44 N ATOM 0 H ARG A 29 0.987 -3.750 -8.087 1.00 32.52 H new ATOM 0 HA ARG A 29 -0.454 -4.341 -10.508 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -0.334 -2.280 -8.552 1.00 72.35 H new ATOM 0 HB3 ARG A 29 0.146 -1.533 -10.063 1.00 72.35 H new ATOM 0 HG2 ARG A 29 -2.178 -1.248 -10.041 1.00 23.13 H new ATOM 0 HG3 ARG A 29 -1.961 -2.641 -11.082 1.00 23.13 H new ATOM 0 HD2 ARG A 29 -2.590 -4.172 -9.338 1.00 34.34 H new ATOM 0 HD3 ARG A 29 -2.463 -2.936 -8.103 1.00 34.34 H new ATOM 0 HE ARG A 29 -4.729 -3.413 -9.891 1.00 1.40 H new ATOM 0 HH11 ARG A 29 -3.052 -1.064 -7.858 1.00 73.31 H new ATOM 0 HH12 ARG A 29 -4.495 -0.078 -7.604 1.00 73.31 H new ATOM 0 HH21 ARG A 29 -6.581 -2.142 -9.560 1.00 24.44 H new ATOM 0 HH22 ARG A 29 -6.487 -0.686 -8.564 1.00 24.44 H new ATOM 132 N ARG A 30 2.608 -3.289 -10.651 1.00 72.30 N ATOM 133 CA ARG A 30 3.726 -3.010 -11.545 1.00 34.23 C ATOM 134 C ARG A 30 4.285 -4.300 -12.136 1.00 75.24 C ATOM 135 O ARG A 30 4.622 -4.358 -13.319 1.00 62.42 O ATOM 136 CB ARG A 30 4.829 -2.260 -10.796 1.00 42.12 C ATOM 137 CG ARG A 30 4.773 -0.753 -10.979 1.00 51.45 C ATOM 138 CD ARG A 30 6.048 -0.084 -10.489 1.00 53.43 C ATOM 139 NE ARG A 30 5.975 1.372 -10.588 1.00 25.24 N ATOM 140 CZ ARG A 30 7.029 2.170 -10.457 1.00 42.15 C ATOM 141 NH1 ARG A 30 8.229 1.657 -10.226 1.00 21.10 N ATOM 142 NH2 ARG A 30 6.883 3.485 -10.560 1.00 71.34 N ATOM 0 H ARG A 30 2.869 -3.403 -9.671 1.00 72.30 H new ATOM 0 HA ARG A 30 3.360 -2.386 -12.361 1.00 34.23 H new ATOM 0 HB2 ARG A 30 4.757 -2.491 -9.733 1.00 42.12 H new ATOM 0 HB3 ARG A 30 5.799 -2.623 -11.136 1.00 42.12 H new ATOM 0 HG2 ARG A 30 4.620 -0.519 -12.032 1.00 51.45 H new ATOM 0 HG3 ARG A 30 3.918 -0.351 -10.436 1.00 51.45 H new ATOM 0 HD2 ARG A 30 6.231 -0.368 -9.453 1.00 53.43 H new ATOM 0 HD3 ARG A 30 6.894 -0.445 -11.073 1.00 53.43 H new ATOM 0 HE ARG A 30 5.066 1.799 -10.767 1.00 25.24 H new ATOM 0 HH11 ARG A 30 8.345 0.647 -10.148 1.00 21.10 H new ATOM 0 HH12 ARG A 30 9.036 2.273 -10.126 1.00 21.10 H new ATOM 0 HH21 ARG A 30 5.961 3.883 -10.740 1.00 71.34 H new ATOM 0 HH22 ARG A 30 7.692 4.097 -10.459 1.00 71.34 H new ATOM 156 N LEU A 31 4.379 -5.334 -11.307 1.00 2.52 N ATOM 157 CA LEU A 31 4.897 -6.624 -11.747 1.00 63.32 C ATOM 158 C LEU A 31 4.124 -7.137 -12.957 1.00 45.13 C ATOM 159 O LEU A 31 4.665 -7.868 -13.788 1.00 20.14 O ATOM 160 CB LEU A 31 4.818 -7.642 -10.609 1.00 21.33 C ATOM 161 CG LEU A 31 5.473 -7.228 -9.290 1.00 13.32 C ATOM 162 CD1 LEU A 31 5.273 -8.303 -8.233 1.00 35.31 C ATOM 163 CD2 LEU A 31 6.955 -6.948 -9.495 1.00 15.10 C ATOM 0 H LEU A 31 4.103 -5.304 -10.326 1.00 2.52 H new ATOM 0 HA LEU A 31 5.940 -6.490 -12.035 1.00 63.32 H new ATOM 0 HB2 LEU A 31 3.768 -7.861 -10.417 1.00 21.33 H new ATOM 0 HB3 LEU A 31 5.281 -8.570 -10.946 1.00 21.33 H new ATOM 0 HG LEU A 31 4.995 -6.312 -8.942 1.00 13.32 H new ATOM 0 HD11 LEU A 31 5.746 -7.990 -7.302 1.00 35.31 H new ATOM 0 HD12 LEU A 31 4.207 -8.455 -8.065 1.00 35.31 H new ATOM 0 HD13 LEU A 31 5.723 -9.236 -8.573 1.00 35.31 H new ATOM 0 HD21 LEU A 31 7.405 -6.655 -8.546 1.00 15.10 H new ATOM 0 HD22 LEU A 31 7.447 -7.847 -9.867 1.00 15.10 H new ATOM 0 HD23 LEU A 31 7.076 -6.142 -10.218 1.00 15.10 H new ATOM 175 N ARG A 32 2.858 -6.746 -13.053 1.00 52.33 N ATOM 176 CA ARG A 32 2.011 -7.166 -14.163 1.00 54.33 C ATOM 177 C ARG A 32 2.197 -6.246 -15.367 1.00 52.41 C ATOM 178 O ARG A 32 2.515 -6.702 -16.466 1.00 31.25 O ATOM 179 CB ARG A 32 0.541 -7.173 -13.737 1.00 24.54 C ATOM 180 CG ARG A 32 -0.146 -8.513 -13.945 1.00 50.41 C ATOM 181 CD ARG A 32 -1.092 -8.837 -12.799 1.00 51.14 C ATOM 182 NE ARG A 32 -2.347 -9.415 -13.273 1.00 55.21 N ATOM 183 CZ ARG A 32 -2.484 -10.687 -13.627 1.00 24.31 C ATOM 184 NH1 ARG A 32 -1.447 -11.512 -13.561 1.00 13.01 N ATOM 185 NH2 ARG A 32 -3.658 -11.138 -14.047 1.00 64.44 N ATOM 0 H ARG A 32 2.396 -6.139 -12.376 1.00 52.33 H new ATOM 0 HA ARG A 32 2.305 -8.176 -14.449 1.00 54.33 H new ATOM 0 HB2 ARG A 32 0.475 -6.900 -12.684 1.00 24.54 H new ATOM 0 HB3 ARG A 32 0.005 -6.408 -14.299 1.00 24.54 H new ATOM 0 HG2 ARG A 32 -0.701 -8.497 -14.883 1.00 50.41 H new ATOM 0 HG3 ARG A 32 0.605 -9.299 -14.032 1.00 50.41 H new ATOM 0 HD2 ARG A 32 -0.608 -9.534 -12.115 1.00 51.14 H new ATOM 0 HD3 ARG A 32 -1.302 -7.929 -12.234 1.00 51.14 H new ATOM 0 HE ARG A 32 -3.164 -8.807 -13.335 1.00 55.21 H new ATOM 0 HH11 ARG A 32 -0.542 -11.169 -13.238 1.00 13.01 H new ATOM 0 HH12 ARG A 32 -1.554 -12.489 -13.833 1.00 13.01 H new ATOM 0 HH21 ARG A 32 -4.458 -10.507 -14.099 1.00 64.44 H new ATOM 0 HH22 ARG A 32 -3.761 -12.116 -14.319 1.00 64.44 H new ATOM 199 N ASP A 33 1.996 -4.950 -15.152 1.00 65.12 N ATOM 200 CA ASP A 33 2.143 -3.966 -16.218 1.00 70.45 C ATOM 201 C ASP A 33 3.531 -4.049 -16.847 1.00 24.12 C ATOM 202 O ASP A 33 3.697 -3.810 -18.044 1.00 21.45 O ATOM 203 CB ASP A 33 1.897 -2.557 -15.678 1.00 52.34 C ATOM 204 CG ASP A 33 0.461 -2.108 -15.866 1.00 12.11 C ATOM 205 OD1 ASP A 33 -0.103 -2.361 -16.951 1.00 72.31 O ATOM 206 OD2 ASP A 33 -0.098 -1.504 -14.927 1.00 13.22 O ATOM 0 H ASP A 33 1.731 -4.557 -14.249 1.00 65.12 H new ATOM 0 HA ASP A 33 1.402 -4.186 -16.987 1.00 70.45 H new ATOM 0 HB2 ASP A 33 2.148 -2.528 -14.618 1.00 52.34 H new ATOM 0 HB3 ASP A 33 2.563 -1.856 -16.182 1.00 52.34 H new ATOM 211 N LEU A 34 4.525 -4.387 -16.032 1.00 35.01 N ATOM 212 CA LEU A 34 5.899 -4.499 -16.507 1.00 61.42 C ATOM 213 C LEU A 34 5.997 -5.499 -17.655 1.00 64.24 C ATOM 214 O LEU A 34 6.941 -5.460 -18.446 1.00 54.32 O ATOM 215 CB LEU A 34 6.822 -4.925 -15.364 1.00 52.12 C ATOM 216 CG LEU A 34 8.158 -5.546 -15.775 1.00 33.15 C ATOM 217 CD1 LEU A 34 8.992 -4.545 -16.557 1.00 45.21 C ATOM 218 CD2 LEU A 34 8.917 -6.036 -14.551 1.00 15.32 C ATOM 0 H LEU A 34 4.404 -4.588 -15.039 1.00 35.01 H new ATOM 0 HA LEU A 34 6.212 -3.521 -16.873 1.00 61.42 H new ATOM 0 HB2 LEU A 34 7.026 -4.052 -14.744 1.00 52.12 H new ATOM 0 HB3 LEU A 34 6.288 -5.642 -14.740 1.00 52.12 H new ATOM 0 HG LEU A 34 7.957 -6.402 -16.419 1.00 33.15 H new ATOM 0 HD11 LEU A 34 9.939 -5.004 -16.841 1.00 45.21 H new ATOM 0 HD12 LEU A 34 8.451 -4.243 -17.454 1.00 45.21 H new ATOM 0 HD13 LEU A 34 9.185 -3.669 -15.937 1.00 45.21 H new ATOM 0 HD21 LEU A 34 9.865 -6.475 -14.862 1.00 15.32 H new ATOM 0 HD22 LEU A 34 9.108 -5.197 -13.881 1.00 15.32 H new ATOM 0 HD23 LEU A 34 8.323 -6.787 -14.031 1.00 15.32 H new ATOM 230 N ILE A 35 5.018 -6.393 -17.741 1.00 4.34 N ATOM 231 CA ILE A 35 4.994 -7.401 -18.793 1.00 51.44 C ATOM 232 C ILE A 35 4.499 -6.809 -20.109 1.00 74.31 C ATOM 233 O ILE A 35 4.797 -7.327 -21.184 1.00 52.31 O ATOM 234 CB ILE A 35 4.098 -8.594 -18.410 1.00 51.24 C ATOM 235 CG1 ILE A 35 4.542 -9.182 -17.070 1.00 31.42 C ATOM 236 CG2 ILE A 35 4.134 -9.655 -19.500 1.00 41.03 C ATOM 237 CD1 ILE A 35 6.006 -9.562 -17.032 1.00 1.44 C ATOM 0 H ILE A 35 4.231 -6.440 -17.094 1.00 4.34 H new ATOM 0 HA ILE A 35 6.018 -7.753 -18.917 1.00 51.44 H new ATOM 0 HB ILE A 35 3.072 -8.242 -18.308 1.00 51.24 H new ATOM 0 HG12 ILE A 35 4.342 -8.457 -16.281 1.00 31.42 H new ATOM 0 HG13 ILE A 35 3.940 -10.064 -16.852 1.00 31.42 H new ATOM 0 HG21 ILE A 35 3.496 -10.491 -19.215 1.00 41.03 H new ATOM 0 HG22 ILE A 35 3.775 -9.227 -20.436 1.00 41.03 H new ATOM 0 HG23 ILE A 35 5.157 -10.007 -19.631 1.00 41.03 H new ATOM 0 HD11 ILE A 35 6.250 -9.972 -16.052 1.00 1.44 H new ATOM 0 HD12 ILE A 35 6.208 -10.310 -17.799 1.00 1.44 H new ATOM 0 HD13 ILE A 35 6.616 -8.678 -17.218 1.00 1.44 H new ATOM 249 N GLU A 36 3.742 -5.720 -20.014 1.00 11.10 N ATOM 250 CA GLU A 36 3.206 -5.058 -21.197 1.00 55.42 C ATOM 251 C GLU A 36 4.168 -3.986 -21.703 1.00 74.02 C ATOM 252 O GLU A 36 4.273 -3.749 -22.906 1.00 12.43 O ATOM 253 CB GLU A 36 1.845 -4.432 -20.887 1.00 52.30 C ATOM 254 CG GLU A 36 1.195 -3.762 -22.086 1.00 62.12 C ATOM 255 CD GLU A 36 -0.302 -3.586 -21.916 1.00 1.14 C ATOM 256 OE1 GLU A 36 -0.771 -3.578 -20.759 1.00 1.43 O ATOM 257 OE2 GLU A 36 -1.004 -3.455 -22.940 1.00 21.11 O ATOM 0 H GLU A 36 3.487 -5.278 -19.131 1.00 11.10 H new ATOM 0 HA GLU A 36 3.082 -5.809 -21.977 1.00 55.42 H new ATOM 0 HB2 GLU A 36 1.177 -5.205 -20.507 1.00 52.30 H new ATOM 0 HB3 GLU A 36 1.966 -3.696 -20.092 1.00 52.30 H new ATOM 0 HG2 GLU A 36 1.656 -2.787 -22.247 1.00 62.12 H new ATOM 0 HG3 GLU A 36 1.388 -4.357 -22.979 1.00 62.12 H new ATOM 264 N GLY A 37 4.868 -3.342 -20.775 1.00 73.23 N ATOM 265 CA GLY A 37 5.811 -2.303 -21.146 1.00 33.34 C ATOM 266 C GLY A 37 6.905 -2.814 -22.062 1.00 4.24 C ATOM 267 O GLY A 37 7.521 -2.041 -22.795 1.00 55.34 O ATOM 0 H GLY A 37 4.799 -3.521 -19.773 1.00 73.23 H new ATOM 0 HA2 GLY A 37 5.277 -1.491 -21.640 1.00 33.34 H new ATOM 0 HA3 GLY A 37 6.261 -1.886 -20.245 1.00 33.34 H new ATOM 271 N ASN A 38 7.149 -4.120 -22.019 1.00 45.51 N ATOM 272 CA ASN A 38 8.179 -4.731 -22.850 1.00 24.01 C ATOM 273 C ASN A 38 7.669 -6.020 -23.487 1.00 64.52 C ATOM 274 O ASN A 38 6.850 -6.731 -22.904 1.00 12.34 O ATOM 275 CB ASN A 38 9.431 -5.021 -22.018 1.00 53.05 C ATOM 276 CG ASN A 38 10.548 -4.033 -22.292 1.00 62.14 C ATOM 277 OD1 ASN A 38 11.173 -4.062 -23.353 1.00 73.43 O ATOM 278 ND2 ASN A 38 10.806 -3.151 -21.334 1.00 13.54 N ATOM 0 H ASN A 38 6.648 -4.774 -21.418 1.00 45.51 H new ATOM 0 HA ASN A 38 8.434 -4.029 -23.644 1.00 24.01 H new ATOM 0 HB2 ASN A 38 9.175 -4.992 -20.959 1.00 53.05 H new ATOM 0 HB3 ASN A 38 9.781 -6.030 -22.233 1.00 53.05 H new ATOM 0 HD21 ASN A 38 11.547 -2.462 -21.462 1.00 13.54 H new ATOM 0 HD22 ASN A 38 10.263 -3.163 -20.470 1.00 13.54 H new ATOM 285 N ARG A 39 8.160 -6.316 -24.687 1.00 22.24 N ATOM 286 CA ARG A 39 7.753 -7.519 -25.403 1.00 10.13 C ATOM 287 C ARG A 39 7.901 -8.755 -24.519 1.00 51.23 C ATOM 288 O ARG A 39 6.937 -9.484 -24.287 1.00 64.01 O ATOM 289 CB ARG A 39 8.586 -7.687 -26.675 1.00 40.11 C ATOM 290 CG ARG A 39 8.240 -8.935 -27.469 1.00 30.51 C ATOM 291 CD ARG A 39 6.994 -8.729 -28.316 1.00 43.24 C ATOM 292 NE ARG A 39 7.234 -7.814 -29.429 1.00 52.21 N ATOM 293 CZ ARG A 39 6.282 -7.398 -30.257 1.00 71.04 C ATOM 294 NH1 ARG A 39 5.032 -7.813 -30.098 1.00 64.05 N ATOM 295 NH2 ARG A 39 6.579 -6.565 -31.246 1.00 41.21 N ATOM 0 H ARG A 39 8.840 -5.739 -25.183 1.00 22.24 H new ATOM 0 HA ARG A 39 6.703 -7.412 -25.675 1.00 10.13 H new ATOM 0 HB2 ARG A 39 8.445 -6.812 -27.310 1.00 40.11 H new ATOM 0 HB3 ARG A 39 9.642 -7.719 -26.406 1.00 40.11 H new ATOM 0 HG2 ARG A 39 9.078 -9.202 -28.112 1.00 30.51 H new ATOM 0 HG3 ARG A 39 8.083 -9.770 -26.786 1.00 30.51 H new ATOM 0 HD2 ARG A 39 6.656 -9.690 -28.703 1.00 43.24 H new ATOM 0 HD3 ARG A 39 6.192 -8.337 -27.691 1.00 43.24 H new ATOM 0 HE ARG A 39 8.185 -7.476 -29.579 1.00 52.21 H new ATOM 0 HH11 ARG A 39 4.800 -8.453 -29.339 1.00 64.05 H new ATOM 0 HH12 ARG A 39 4.303 -7.492 -30.735 1.00 64.05 H new ATOM 0 HH21 ARG A 39 7.539 -6.243 -31.371 1.00 41.21 H new ATOM 0 HH22 ARG A 39 5.847 -6.246 -31.881 1.00 41.21 H new ATOM 309 N VAL A 40 9.116 -8.983 -24.029 1.00 33.34 N ATOM 310 CA VAL A 40 9.390 -10.129 -23.171 1.00 22.45 C ATOM 311 C VAL A 40 9.981 -9.687 -21.836 1.00 61.43 C ATOM 312 O VAL A 40 10.988 -8.981 -21.796 1.00 34.43 O ATOM 313 CB VAL A 40 10.359 -11.118 -23.846 1.00 41.50 C ATOM 314 CG1 VAL A 40 10.584 -12.335 -22.961 1.00 51.54 C ATOM 315 CG2 VAL A 40 9.830 -11.531 -25.211 1.00 60.53 C ATOM 0 H VAL A 40 9.925 -8.389 -24.212 1.00 33.34 H new ATOM 0 HA VAL A 40 8.437 -10.628 -22.997 1.00 22.45 H new ATOM 0 HB VAL A 40 11.319 -10.621 -23.988 1.00 41.50 H new ATOM 0 HG11 VAL A 40 11.271 -13.022 -23.455 1.00 51.54 H new ATOM 0 HG12 VAL A 40 11.009 -12.019 -22.009 1.00 51.54 H new ATOM 0 HG13 VAL A 40 9.633 -12.837 -22.785 1.00 51.54 H new ATOM 0 HG21 VAL A 40 10.526 -12.230 -25.675 1.00 60.53 H new ATOM 0 HG22 VAL A 40 8.858 -12.010 -25.095 1.00 60.53 H new ATOM 0 HG23 VAL A 40 9.726 -10.649 -25.843 1.00 60.53 H new ATOM 325 N MET A 41 9.349 -10.109 -20.746 1.00 35.22 N ATOM 326 CA MET A 41 9.813 -9.758 -19.409 1.00 42.35 C ATOM 327 C MET A 41 9.829 -10.983 -18.500 1.00 11.20 C ATOM 328 O MET A 41 8.815 -11.664 -18.345 1.00 73.52 O ATOM 329 CB MET A 41 8.922 -8.671 -18.805 1.00 74.43 C ATOM 330 CG MET A 41 9.693 -7.458 -18.311 1.00 52.41 C ATOM 331 SD MET A 41 10.757 -6.747 -19.581 1.00 53.45 S ATOM 332 CE MET A 41 11.085 -5.131 -18.883 1.00 70.21 C ATOM 0 H MET A 41 8.514 -10.695 -20.762 1.00 35.22 H new ATOM 0 HA MET A 41 10.831 -9.377 -19.493 1.00 42.35 H new ATOM 0 HB2 MET A 41 8.197 -8.350 -19.553 1.00 74.43 H new ATOM 0 HB3 MET A 41 8.358 -9.095 -17.975 1.00 74.43 H new ATOM 0 HG2 MET A 41 8.989 -6.701 -17.966 1.00 52.41 H new ATOM 0 HG3 MET A 41 10.300 -7.743 -17.452 1.00 52.41 H new ATOM 0 HE1 MET A 41 11.816 -4.609 -19.501 1.00 70.21 H new ATOM 0 HE2 MET A 41 10.161 -4.554 -18.850 1.00 70.21 H new ATOM 0 HE3 MET A 41 11.478 -5.244 -17.873 1.00 70.21 H new ATOM 342 N ILE A 42 10.984 -11.255 -17.902 1.00 35.43 N ATOM 343 CA ILE A 42 11.129 -12.397 -17.009 1.00 22.15 C ATOM 344 C ILE A 42 11.808 -11.992 -15.704 1.00 63.44 C ATOM 345 O ILE A 42 12.570 -11.026 -15.663 1.00 61.13 O ATOM 346 CB ILE A 42 11.941 -13.528 -17.668 1.00 11.14 C ATOM 347 CG1 ILE A 42 13.440 -13.267 -17.511 1.00 44.23 C ATOM 348 CG2 ILE A 42 11.570 -13.659 -19.137 1.00 11.34 C ATOM 349 CD1 ILE A 42 13.899 -11.977 -18.157 1.00 31.45 C ATOM 0 H ILE A 42 11.832 -10.700 -18.020 1.00 35.43 H new ATOM 0 HA ILE A 42 10.124 -12.760 -16.795 1.00 22.15 H new ATOM 0 HB ILE A 42 11.701 -14.467 -17.169 1.00 11.14 H new ATOM 0 HG12 ILE A 42 13.687 -13.241 -16.450 1.00 44.23 H new ATOM 0 HG13 ILE A 42 13.993 -14.099 -17.946 1.00 44.23 H new ATOM 0 HG21 ILE A 42 12.152 -14.462 -19.589 1.00 11.34 H new ATOM 0 HG22 ILE A 42 10.508 -13.887 -19.225 1.00 11.34 H new ATOM 0 HG23 ILE A 42 11.784 -12.722 -19.651 1.00 11.34 H new ATOM 0 HD11 ILE A 42 14.972 -11.856 -18.007 1.00 31.45 H new ATOM 0 HD12 ILE A 42 13.684 -12.008 -19.225 1.00 31.45 H new ATOM 0 HD13 ILE A 42 13.373 -11.136 -17.705 1.00 31.45 H new ATOM 361 N PHE A 43 11.529 -12.738 -14.641 1.00 22.52 N ATOM 362 CA PHE A 43 12.115 -12.458 -13.335 1.00 14.52 C ATOM 363 C PHE A 43 13.063 -13.576 -12.913 1.00 72.01 C ATOM 364 O PHE A 43 12.853 -14.742 -13.244 1.00 74.24 O ATOM 365 CB PHE A 43 11.014 -12.284 -12.287 1.00 1.12 C ATOM 366 CG PHE A 43 10.159 -11.069 -12.509 1.00 44.41 C ATOM 367 CD1 PHE A 43 9.320 -10.988 -13.609 1.00 2.52 C ATOM 368 CD2 PHE A 43 10.197 -10.007 -11.620 1.00 31.14 C ATOM 369 CE1 PHE A 43 8.534 -9.871 -13.816 1.00 43.42 C ATOM 370 CE2 PHE A 43 9.412 -8.888 -11.822 1.00 11.43 C ATOM 371 CZ PHE A 43 8.579 -8.819 -12.920 1.00 63.45 C ATOM 0 H PHE A 43 10.901 -13.541 -14.658 1.00 22.52 H new ATOM 0 HA PHE A 43 12.685 -11.532 -13.411 1.00 14.52 H new ATOM 0 HB2 PHE A 43 10.379 -13.170 -12.289 1.00 1.12 H new ATOM 0 HB3 PHE A 43 11.471 -12.221 -11.299 1.00 1.12 H new ATOM 0 HD1 PHE A 43 9.280 -11.807 -14.312 1.00 2.52 H new ATOM 0 HD2 PHE A 43 10.848 -10.054 -10.759 1.00 31.14 H new ATOM 0 HE1 PHE A 43 7.885 -9.820 -14.677 1.00 43.42 H new ATOM 0 HE2 PHE A 43 9.450 -8.068 -11.121 1.00 11.43 H new ATOM 0 HZ PHE A 43 7.964 -7.946 -13.079 1.00 63.45 H new ATOM 381 N SER A 44 14.110 -13.209 -12.178 1.00 75.45 N ATOM 382 CA SER A 44 15.094 -14.180 -11.714 1.00 75.42 C ATOM 383 C SER A 44 15.745 -13.713 -10.416 1.00 25.11 C ATOM 384 O SER A 44 15.238 -12.819 -9.738 1.00 55.13 O ATOM 385 CB SER A 44 16.165 -14.404 -12.784 1.00 34.41 C ATOM 386 OG SER A 44 16.387 -15.787 -13.000 1.00 61.14 O ATOM 0 H SER A 44 14.298 -12.248 -11.892 1.00 75.45 H new ATOM 0 HA SER A 44 14.579 -15.122 -11.524 1.00 75.42 H new ATOM 0 HB2 SER A 44 15.856 -13.932 -13.717 1.00 34.41 H new ATOM 0 HB3 SER A 44 17.096 -13.926 -12.478 1.00 34.41 H new ATOM 0 HG SER A 44 17.326 -15.934 -13.239 1.00 61.14 H new ATOM 392 N LYS A 45 16.875 -14.325 -10.075 1.00 33.02 N ATOM 393 CA LYS A 45 17.598 -13.974 -8.859 1.00 64.12 C ATOM 394 C LYS A 45 19.103 -13.945 -9.111 1.00 63.14 C ATOM 395 O LYS A 45 19.553 -14.039 -10.254 1.00 33.11 O ATOM 396 CB LYS A 45 17.277 -14.970 -7.744 1.00 21.44 C ATOM 397 CG LYS A 45 15.956 -14.696 -7.045 1.00 43.45 C ATOM 398 CD LYS A 45 16.109 -14.716 -5.533 1.00 45.04 C ATOM 399 CE LYS A 45 15.441 -15.938 -4.923 1.00 31.35 C ATOM 400 NZ LYS A 45 16.257 -16.526 -3.825 1.00 21.33 N ATOM 0 H LYS A 45 17.309 -15.067 -10.624 1.00 33.02 H new ATOM 0 HA LYS A 45 17.279 -12.978 -8.551 1.00 64.12 H new ATOM 0 HB2 LYS A 45 17.255 -15.976 -8.162 1.00 21.44 H new ATOM 0 HB3 LYS A 45 18.080 -14.949 -7.007 1.00 21.44 H new ATOM 0 HG2 LYS A 45 15.571 -13.726 -7.360 1.00 43.45 H new ATOM 0 HG3 LYS A 45 15.222 -15.443 -7.347 1.00 43.45 H new ATOM 0 HD2 LYS A 45 17.168 -14.711 -5.273 1.00 45.04 H new ATOM 0 HD3 LYS A 45 15.672 -13.812 -5.110 1.00 45.04 H new ATOM 0 HE2 LYS A 45 14.460 -15.661 -4.538 1.00 31.35 H new ATOM 0 HE3 LYS A 45 15.280 -16.688 -5.697 1.00 31.35 H new ATOM 0 HZ1 LYS A 45 15.635 -17.035 -3.165 1.00 21.33 H new ATOM 0 HZ2 LYS A 45 16.952 -17.188 -4.225 1.00 21.33 H new ATOM 0 HZ3 LYS A 45 16.754 -15.767 -3.317 1.00 21.33 H new ATOM 414 N SER A 46 19.876 -13.816 -8.038 1.00 32.25 N ATOM 415 CA SER A 46 21.330 -13.773 -8.143 1.00 62.55 C ATOM 416 C SER A 46 21.908 -15.181 -8.259 1.00 42.42 C ATOM 417 O SER A 46 22.700 -15.466 -9.158 1.00 1.02 O ATOM 418 CB SER A 46 21.930 -13.063 -6.928 1.00 54.21 C ATOM 419 OG SER A 46 22.107 -11.680 -7.184 1.00 21.34 O ATOM 0 H SER A 46 19.520 -13.739 -7.085 1.00 32.25 H new ATOM 0 HA SER A 46 21.588 -13.217 -9.044 1.00 62.55 H new ATOM 0 HB2 SER A 46 21.277 -13.196 -6.065 1.00 54.21 H new ATOM 0 HB3 SER A 46 22.889 -13.515 -6.675 1.00 54.21 H new ATOM 0 HG SER A 46 22.490 -11.247 -6.393 1.00 21.34 H new ATOM 425 N TYR A 47 21.505 -16.056 -7.345 1.00 63.33 N ATOM 426 CA TYR A 47 21.984 -17.433 -7.342 1.00 43.13 C ATOM 427 C TYR A 47 20.818 -18.416 -7.306 1.00 24.15 C ATOM 428 O TYR A 47 20.595 -19.095 -6.303 1.00 4.35 O ATOM 429 CB TYR A 47 22.906 -17.673 -6.145 1.00 52.11 C ATOM 430 CG TYR A 47 22.292 -17.276 -4.821 1.00 22.53 C ATOM 431 CD1 TYR A 47 22.148 -15.939 -4.473 1.00 53.11 C ATOM 432 CD2 TYR A 47 21.859 -18.238 -3.917 1.00 51.25 C ATOM 433 CE1 TYR A 47 21.589 -15.571 -3.265 1.00 4.14 C ATOM 434 CE2 TYR A 47 21.297 -17.880 -2.707 1.00 70.15 C ATOM 435 CZ TYR A 47 21.165 -16.546 -2.385 1.00 54.35 C ATOM 436 OH TYR A 47 20.608 -16.184 -1.179 1.00 74.35 O ATOM 0 H TYR A 47 20.848 -15.836 -6.597 1.00 63.33 H new ATOM 0 HA TYR A 47 22.545 -17.597 -8.262 1.00 43.13 H new ATOM 0 HB2 TYR A 47 23.175 -18.729 -6.110 1.00 52.11 H new ATOM 0 HB3 TYR A 47 23.830 -17.113 -6.290 1.00 52.11 H new ATOM 0 HD1 TYR A 47 22.479 -15.174 -5.159 1.00 53.11 H new ATOM 0 HD2 TYR A 47 21.964 -19.284 -4.165 1.00 51.25 H new ATOM 0 HE1 TYR A 47 21.484 -14.527 -3.010 1.00 4.14 H new ATOM 0 HE2 TYR A 47 20.963 -18.641 -2.017 1.00 70.15 H new ATOM 0 HH TYR A 47 20.362 -16.989 -0.678 1.00 74.35 H new ATOM 446 N CYS A 48 20.078 -18.486 -8.407 1.00 23.13 N ATOM 447 CA CYS A 48 18.933 -19.385 -8.503 1.00 4.24 C ATOM 448 C CYS A 48 18.798 -19.944 -9.915 1.00 12.34 C ATOM 449 O CYS A 48 18.256 -19.301 -10.815 1.00 14.15 O ATOM 450 CB CYS A 48 17.650 -18.654 -8.104 1.00 61.34 C ATOM 451 SG CYS A 48 17.637 -18.062 -6.396 1.00 41.33 S ATOM 0 H CYS A 48 20.250 -17.931 -9.246 1.00 23.13 H new ATOM 0 HA CYS A 48 19.096 -20.217 -7.818 1.00 4.24 H new ATOM 0 HB2 CYS A 48 17.506 -17.805 -8.772 1.00 61.34 H new ATOM 0 HB3 CYS A 48 16.803 -19.323 -8.251 1.00 61.34 H new ATOM 0 HG CYS A 48 18.763 -18.368 -5.822 1.00 41.33 H new ATOM 457 N PRO A 49 19.302 -21.170 -10.117 1.00 40.35 N ATOM 458 CA PRO A 49 19.250 -21.842 -11.419 1.00 31.33 C ATOM 459 C PRO A 49 17.833 -22.256 -11.802 1.00 50.32 C ATOM 460 O PRO A 49 16.911 -22.178 -10.989 1.00 4.04 O ATOM 461 CB PRO A 49 20.130 -23.078 -11.216 1.00 20.05 C ATOM 462 CG PRO A 49 20.080 -23.341 -9.750 1.00 20.31 C ATOM 463 CD PRO A 49 19.961 -21.995 -9.091 1.00 70.43 C ATOM 0 HA PRO A 49 19.585 -21.191 -12.227 1.00 31.33 H new ATOM 0 HB2 PRO A 49 19.755 -23.929 -11.784 1.00 20.05 H new ATOM 0 HB3 PRO A 49 21.151 -22.897 -11.551 1.00 20.05 H new ATOM 0 HG2 PRO A 49 19.231 -23.976 -9.496 1.00 20.31 H new ATOM 0 HG3 PRO A 49 20.978 -23.861 -9.416 1.00 20.31 H new ATOM 0 HD2 PRO A 49 19.370 -22.046 -8.176 1.00 70.43 H new ATOM 0 HD3 PRO A 49 20.937 -21.593 -8.818 1.00 70.43 H new ATOM 471 N HIS A 50 17.665 -22.695 -13.046 1.00 21.24 N ATOM 472 CA HIS A 50 16.360 -23.122 -13.536 1.00 54.20 C ATOM 473 C HIS A 50 15.483 -21.917 -13.867 1.00 10.23 C ATOM 474 O HIS A 50 14.901 -21.840 -14.948 1.00 53.51 O ATOM 475 CB HIS A 50 15.664 -24.003 -12.498 1.00 2.41 C ATOM 476 CG HIS A 50 16.576 -24.997 -11.849 1.00 3.13 C ATOM 477 ND1 HIS A 50 16.727 -25.101 -10.482 1.00 52.31 N ATOM 478 CD2 HIS A 50 17.386 -25.938 -12.388 1.00 20.25 C ATOM 479 CE1 HIS A 50 17.592 -26.061 -10.208 1.00 51.41 C ATOM 480 NE2 HIS A 50 18.007 -26.586 -11.347 1.00 55.14 N ATOM 0 H HIS A 50 18.416 -22.764 -13.732 1.00 21.24 H new ATOM 0 HA HIS A 50 16.514 -23.700 -14.447 1.00 54.20 H new ATOM 0 HB2 HIS A 50 15.226 -23.367 -11.728 1.00 2.41 H new ATOM 0 HB3 HIS A 50 14.842 -24.535 -12.977 1.00 2.41 H new ATOM 0 HD2 HIS A 50 17.520 -26.142 -13.440 1.00 20.25 H new ATOM 0 HE1 HIS A 50 17.907 -26.365 -9.221 1.00 51.41 H new ATOM 0 HE2 HIS A 50 18.679 -27.348 -11.439 1.00 55.14 H new ATOM 488 N SER A 51 15.395 -20.980 -12.928 1.00 40.14 N ATOM 489 CA SER A 51 14.586 -19.781 -13.119 1.00 45.22 C ATOM 490 C SER A 51 15.251 -18.829 -14.108 1.00 41.24 C ATOM 491 O SER A 51 14.579 -18.062 -14.798 1.00 1.40 O ATOM 492 CB SER A 51 14.364 -19.072 -11.782 1.00 54.10 C ATOM 493 OG SER A 51 13.028 -18.614 -11.664 1.00 3.25 O ATOM 0 H SER A 51 15.873 -21.028 -12.028 1.00 40.14 H new ATOM 0 HA SER A 51 13.621 -20.084 -13.526 1.00 45.22 H new ATOM 0 HB2 SER A 51 14.592 -19.754 -10.963 1.00 54.10 H new ATOM 0 HB3 SER A 51 15.050 -18.229 -11.695 1.00 54.10 H new ATOM 0 HG SER A 51 12.890 -17.849 -12.261 1.00 3.25 H new ATOM 499 N THR A 52 16.579 -18.884 -14.171 1.00 55.45 N ATOM 500 CA THR A 52 17.336 -18.026 -15.074 1.00 72.15 C ATOM 501 C THR A 52 17.427 -18.638 -16.467 1.00 64.41 C ATOM 502 O THR A 52 17.342 -17.932 -17.472 1.00 73.31 O ATOM 503 CB THR A 52 18.759 -17.771 -14.544 1.00 24.12 C ATOM 504 OG1 THR A 52 18.715 -16.858 -13.441 1.00 63.41 O ATOM 505 CG2 THR A 52 19.652 -17.208 -15.639 1.00 23.41 C ATOM 0 H THR A 52 17.151 -19.513 -13.608 1.00 55.45 H new ATOM 0 HA THR A 52 16.802 -17.078 -15.131 1.00 72.15 H new ATOM 0 HB THR A 52 19.175 -18.722 -14.212 1.00 24.12 H new ATOM 0 HG1 THR A 52 19.624 -16.702 -13.109 1.00 63.41 H new ATOM 0 HG21 THR A 52 20.652 -17.036 -15.241 1.00 23.41 H new ATOM 0 HG22 THR A 52 19.707 -17.918 -16.464 1.00 23.41 H new ATOM 0 HG23 THR A 52 19.238 -16.266 -15.998 1.00 23.41 H new ATOM 513 N ARG A 53 17.601 -19.955 -16.519 1.00 54.24 N ATOM 514 CA ARG A 53 17.704 -20.661 -17.790 1.00 61.33 C ATOM 515 C ARG A 53 16.543 -20.297 -18.712 1.00 22.11 C ATOM 516 O ARG A 53 16.736 -20.044 -19.901 1.00 15.21 O ATOM 517 CB ARG A 53 17.728 -22.174 -17.557 1.00 41.10 C ATOM 518 CG ARG A 53 16.856 -22.954 -18.528 1.00 5.33 C ATOM 519 CD ARG A 53 16.984 -24.453 -18.310 1.00 61.22 C ATOM 520 NE ARG A 53 16.993 -25.190 -19.571 1.00 53.00 N ATOM 521 CZ ARG A 53 18.000 -25.154 -20.437 1.00 63.21 C ATOM 522 NH1 ARG A 53 19.074 -24.421 -20.178 1.00 60.41 N ATOM 523 NH2 ARG A 53 17.934 -25.853 -21.563 1.00 22.02 N ATOM 0 H ARG A 53 17.673 -20.554 -15.696 1.00 54.24 H new ATOM 0 HA ARG A 53 18.635 -20.358 -18.270 1.00 61.33 H new ATOM 0 HB2 ARG A 53 18.755 -22.529 -17.638 1.00 41.10 H new ATOM 0 HB3 ARG A 53 17.399 -22.382 -16.539 1.00 41.10 H new ATOM 0 HG2 ARG A 53 15.815 -22.655 -18.405 1.00 5.33 H new ATOM 0 HG3 ARG A 53 17.140 -22.708 -19.551 1.00 5.33 H new ATOM 0 HD2 ARG A 53 17.902 -24.663 -17.761 1.00 61.22 H new ATOM 0 HD3 ARG A 53 16.156 -24.802 -17.692 1.00 61.22 H new ATOM 0 HE ARG A 53 16.181 -25.764 -19.799 1.00 53.00 H new ATOM 0 HH11 ARG A 53 19.128 -23.884 -19.313 1.00 60.41 H new ATOM 0 HH12 ARG A 53 19.846 -24.395 -20.844 1.00 60.41 H new ATOM 0 HH21 ARG A 53 17.110 -26.419 -21.764 1.00 22.02 H new ATOM 0 HH22 ARG A 53 18.708 -25.825 -22.227 1.00 22.02 H new ATOM 537 N VAL A 54 15.337 -20.273 -18.153 1.00 52.41 N ATOM 538 CA VAL A 54 14.145 -19.938 -18.924 1.00 71.00 C ATOM 539 C VAL A 54 14.331 -18.631 -19.686 1.00 63.10 C ATOM 540 O VAL A 54 13.722 -18.419 -20.735 1.00 1.32 O ATOM 541 CB VAL A 54 12.906 -19.818 -18.017 1.00 0.24 C ATOM 542 CG1 VAL A 54 13.000 -18.573 -17.146 1.00 62.44 C ATOM 543 CG2 VAL A 54 11.635 -19.798 -18.851 1.00 31.32 C ATOM 0 H VAL A 54 15.160 -20.481 -17.170 1.00 52.41 H new ATOM 0 HA VAL A 54 13.990 -20.750 -19.635 1.00 71.00 H new ATOM 0 HB VAL A 54 12.871 -20.689 -17.363 1.00 0.24 H new ATOM 0 HG11 VAL A 54 12.116 -18.505 -16.512 1.00 62.44 H new ATOM 0 HG12 VAL A 54 13.891 -18.633 -16.521 1.00 62.44 H new ATOM 0 HG13 VAL A 54 13.060 -17.689 -17.781 1.00 62.44 H new ATOM 0 HG21 VAL A 54 10.770 -19.713 -18.194 1.00 31.32 H new ATOM 0 HG22 VAL A 54 11.659 -18.946 -19.531 1.00 31.32 H new ATOM 0 HG23 VAL A 54 11.563 -20.720 -19.427 1.00 31.32 H new ATOM 553 N LYS A 55 15.180 -17.758 -19.154 1.00 23.21 N ATOM 554 CA LYS A 55 15.451 -16.471 -19.784 1.00 75.52 C ATOM 555 C LYS A 55 16.350 -16.641 -21.003 1.00 62.45 C ATOM 556 O LYS A 55 16.244 -15.893 -21.974 1.00 54.41 O ATOM 557 CB LYS A 55 16.105 -15.517 -18.783 1.00 72.40 C ATOM 558 CG LYS A 55 17.612 -15.410 -18.941 1.00 20.34 C ATOM 559 CD LYS A 55 18.244 -14.674 -17.772 1.00 23.25 C ATOM 560 CE LYS A 55 19.763 -14.704 -17.849 1.00 72.14 C ATOM 561 NZ LYS A 55 20.322 -13.396 -18.287 1.00 43.10 N ATOM 0 H LYS A 55 15.693 -17.919 -18.287 1.00 23.21 H new ATOM 0 HA LYS A 55 14.501 -16.048 -20.111 1.00 75.52 H new ATOM 0 HB2 LYS A 55 15.665 -14.526 -18.897 1.00 72.40 H new ATOM 0 HB3 LYS A 55 15.877 -15.853 -17.771 1.00 72.40 H new ATOM 0 HG2 LYS A 55 18.042 -16.408 -19.019 1.00 20.34 H new ATOM 0 HG3 LYS A 55 17.845 -14.889 -19.869 1.00 20.34 H new ATOM 0 HD2 LYS A 55 17.900 -13.640 -17.763 1.00 23.25 H new ATOM 0 HD3 LYS A 55 17.917 -15.127 -16.836 1.00 23.25 H new ATOM 0 HE2 LYS A 55 20.171 -14.965 -16.872 1.00 72.14 H new ATOM 0 HE3 LYS A 55 20.076 -15.484 -18.544 1.00 72.14 H new ATOM 0 HZ1 LYS A 55 21.359 -13.458 -18.327 1.00 43.10 H new ATOM 0 HZ2 LYS A 55 19.953 -13.159 -19.230 1.00 43.10 H new ATOM 0 HZ3 LYS A 55 20.045 -12.656 -17.611 1.00 43.10 H new ATOM 575 N GLU A 56 17.236 -17.631 -20.947 1.00 60.51 N ATOM 576 CA GLU A 56 18.154 -17.899 -22.047 1.00 71.45 C ATOM 577 C GLU A 56 17.392 -18.309 -23.304 1.00 35.31 C ATOM 578 O GLU A 56 17.729 -17.891 -24.413 1.00 21.40 O ATOM 579 CB GLU A 56 19.145 -18.997 -21.659 1.00 22.15 C ATOM 580 CG GLU A 56 20.128 -18.577 -20.579 1.00 53.32 C ATOM 581 CD GLU A 56 21.046 -19.705 -20.152 1.00 75.44 C ATOM 582 OE1 GLU A 56 21.845 -20.168 -20.992 1.00 23.11 O ATOM 583 OE2 GLU A 56 20.964 -20.126 -18.980 1.00 33.52 O ATOM 0 H GLU A 56 17.337 -18.261 -20.151 1.00 60.51 H new ATOM 0 HA GLU A 56 18.704 -16.982 -22.258 1.00 71.45 H new ATOM 0 HB2 GLU A 56 18.590 -19.870 -21.314 1.00 22.15 H new ATOM 0 HB3 GLU A 56 19.701 -19.303 -22.545 1.00 22.15 H new ATOM 0 HG2 GLU A 56 20.729 -17.744 -20.944 1.00 53.32 H new ATOM 0 HG3 GLU A 56 19.576 -18.216 -19.712 1.00 53.32 H new ATOM 590 N LEU A 57 16.362 -19.128 -23.123 1.00 55.13 N ATOM 591 CA LEU A 57 15.549 -19.596 -24.241 1.00 43.53 C ATOM 592 C LEU A 57 15.135 -18.432 -25.137 1.00 31.31 C ATOM 593 O LEU A 57 15.304 -18.482 -26.356 1.00 30.03 O ATOM 594 CB LEU A 57 14.307 -20.326 -23.726 1.00 45.25 C ATOM 595 CG LEU A 57 14.270 -21.836 -23.964 1.00 1.33 C ATOM 596 CD1 LEU A 57 15.553 -22.486 -23.468 1.00 14.43 C ATOM 597 CD2 LEU A 57 13.058 -22.453 -23.281 1.00 45.51 C ATOM 0 H LEU A 57 16.070 -19.482 -22.212 1.00 55.13 H new ATOM 0 HA LEU A 57 16.150 -20.289 -24.830 1.00 43.53 H new ATOM 0 HB2 LEU A 57 14.222 -20.145 -22.655 1.00 45.25 H new ATOM 0 HB3 LEU A 57 13.429 -19.883 -24.195 1.00 45.25 H new ATOM 0 HG LEU A 57 14.188 -22.014 -25.036 1.00 1.33 H new ATOM 0 HD11 LEU A 57 15.509 -23.561 -23.646 1.00 14.43 H new ATOM 0 HD12 LEU A 57 16.404 -22.065 -24.002 1.00 14.43 H new ATOM 0 HD13 LEU A 57 15.666 -22.299 -22.400 1.00 14.43 H new ATOM 0 HD21 LEU A 57 13.047 -23.528 -23.461 1.00 45.51 H new ATOM 0 HD22 LEU A 57 13.110 -22.265 -22.209 1.00 45.51 H new ATOM 0 HD23 LEU A 57 12.148 -22.009 -23.684 1.00 45.51 H new ATOM 609 N PHE A 58 14.593 -17.386 -24.525 1.00 50.34 N ATOM 610 CA PHE A 58 14.155 -16.209 -25.266 1.00 42.41 C ATOM 611 C PHE A 58 15.276 -15.677 -26.154 1.00 33.31 C ATOM 612 O PHE A 58 15.082 -15.450 -27.349 1.00 21.31 O ATOM 613 CB PHE A 58 13.691 -15.115 -24.301 1.00 43.13 C ATOM 614 CG PHE A 58 12.309 -15.342 -23.758 1.00 42.21 C ATOM 615 CD1 PHE A 58 11.272 -15.713 -24.599 1.00 15.55 C ATOM 616 CD2 PHE A 58 12.048 -15.186 -22.407 1.00 11.10 C ATOM 617 CE1 PHE A 58 9.999 -15.920 -24.101 1.00 71.41 C ATOM 618 CE2 PHE A 58 10.777 -15.393 -21.903 1.00 3.23 C ATOM 619 CZ PHE A 58 9.752 -15.763 -22.752 1.00 13.41 C ATOM 0 H PHE A 58 14.446 -17.329 -23.517 1.00 50.34 H new ATOM 0 HA PHE A 58 13.319 -16.501 -25.902 1.00 42.41 H new ATOM 0 HB2 PHE A 58 14.394 -15.053 -23.470 1.00 43.13 H new ATOM 0 HB3 PHE A 58 13.718 -14.154 -24.814 1.00 43.13 H new ATOM 0 HD1 PHE A 58 11.460 -15.842 -25.655 1.00 15.55 H new ATOM 0 HD2 PHE A 58 12.847 -14.899 -21.739 1.00 11.10 H new ATOM 0 HE1 PHE A 58 9.198 -16.204 -24.767 1.00 71.41 H new ATOM 0 HE2 PHE A 58 10.586 -15.266 -20.848 1.00 3.23 H new ATOM 0 HZ PHE A 58 8.759 -15.929 -22.361 1.00 13.41 H new ATOM 629 N SER A 59 16.449 -15.479 -25.561 1.00 1.21 N ATOM 630 CA SER A 59 17.601 -14.970 -26.297 1.00 34.34 C ATOM 631 C SER A 59 17.862 -15.808 -27.545 1.00 3.32 C ATOM 632 O SER A 59 18.049 -15.272 -28.636 1.00 44.54 O ATOM 633 CB SER A 59 18.843 -14.966 -25.402 1.00 75.40 C ATOM 634 OG SER A 59 19.782 -14.000 -25.838 1.00 40.45 O ATOM 0 H SER A 59 16.627 -15.663 -24.574 1.00 1.21 H new ATOM 0 HA SER A 59 17.381 -13.948 -26.606 1.00 34.34 H new ATOM 0 HB2 SER A 59 18.553 -14.757 -24.372 1.00 75.40 H new ATOM 0 HB3 SER A 59 19.303 -15.954 -25.409 1.00 75.40 H new ATOM 0 HG SER A 59 20.565 -14.016 -25.249 1.00 40.45 H new ATOM 640 N SER A 60 17.873 -17.126 -27.374 1.00 4.01 N ATOM 641 CA SER A 60 18.116 -18.039 -28.484 1.00 53.15 C ATOM 642 C SER A 60 16.849 -18.235 -29.312 1.00 64.11 C ATOM 643 O SER A 60 16.857 -18.939 -30.323 1.00 71.32 O ATOM 644 CB SER A 60 18.613 -19.389 -27.964 1.00 1.34 C ATOM 645 OG SER A 60 18.603 -20.365 -28.989 1.00 63.34 O ATOM 0 H SER A 60 17.716 -17.585 -26.477 1.00 4.01 H new ATOM 0 HA SER A 60 18.883 -17.600 -29.122 1.00 53.15 H new ATOM 0 HB2 SER A 60 19.624 -19.281 -27.570 1.00 1.34 H new ATOM 0 HB3 SER A 60 17.983 -19.718 -27.138 1.00 1.34 H new ATOM 0 HG SER A 60 18.242 -19.972 -29.811 1.00 63.34 H new ATOM 651 N LEU A 61 15.762 -17.609 -28.876 1.00 2.10 N ATOM 652 CA LEU A 61 14.486 -17.713 -29.575 1.00 20.40 C ATOM 653 C LEU A 61 14.307 -16.560 -30.557 1.00 71.41 C ATOM 654 O LEU A 61 13.232 -16.380 -31.129 1.00 61.00 O ATOM 655 CB LEU A 61 13.332 -17.728 -28.571 1.00 61.12 C ATOM 656 CG LEU A 61 11.945 -18.016 -29.148 1.00 10.24 C ATOM 657 CD1 LEU A 61 12.037 -19.025 -30.282 1.00 13.10 C ATOM 658 CD2 LEU A 61 11.008 -18.517 -28.058 1.00 72.33 C ATOM 0 H LEU A 61 15.738 -17.024 -28.041 1.00 2.10 H new ATOM 0 HA LEU A 61 14.483 -18.647 -30.137 1.00 20.40 H new ATOM 0 HB2 LEU A 61 13.549 -18.476 -27.809 1.00 61.12 H new ATOM 0 HB3 LEU A 61 13.301 -16.761 -28.069 1.00 61.12 H new ATOM 0 HG LEU A 61 11.539 -17.087 -29.549 1.00 10.24 H new ATOM 0 HD11 LEU A 61 11.041 -19.217 -30.680 1.00 13.10 H new ATOM 0 HD12 LEU A 61 12.673 -18.627 -31.073 1.00 13.10 H new ATOM 0 HD13 LEU A 61 12.464 -19.955 -29.907 1.00 13.10 H new ATOM 0 HD21 LEU A 61 10.026 -18.717 -28.486 1.00 72.33 H new ATOM 0 HD22 LEU A 61 11.409 -19.434 -27.626 1.00 72.33 H new ATOM 0 HD23 LEU A 61 10.917 -17.759 -27.280 1.00 72.33 H new ATOM 670 N GLY A 62 15.368 -15.782 -30.748 1.00 71.40 N ATOM 671 CA GLY A 62 15.307 -14.657 -31.663 1.00 3.33 C ATOM 672 C GLY A 62 14.490 -13.505 -31.112 1.00 31.31 C ATOM 673 O GLY A 62 14.050 -12.633 -31.861 1.00 53.43 O ATOM 0 H GLY A 62 16.268 -15.910 -30.286 1.00 71.40 H new ATOM 0 HA2 GLY A 62 16.318 -14.311 -31.877 1.00 3.33 H new ATOM 0 HA3 GLY A 62 14.875 -14.985 -32.609 1.00 3.33 H new ATOM 677 N VAL A 63 14.285 -13.502 -29.799 1.00 75.31 N ATOM 678 CA VAL A 63 13.515 -12.449 -29.148 1.00 14.34 C ATOM 679 C VAL A 63 14.362 -11.702 -28.124 1.00 11.24 C ATOM 680 O VAL A 63 15.403 -12.191 -27.688 1.00 50.11 O ATOM 681 CB VAL A 63 12.266 -13.018 -28.448 1.00 20.21 C ATOM 682 CG1 VAL A 63 12.598 -13.440 -27.025 1.00 11.04 C ATOM 683 CG2 VAL A 63 11.137 -11.999 -28.461 1.00 51.03 C ATOM 0 H VAL A 63 14.641 -14.217 -29.165 1.00 75.31 H new ATOM 0 HA VAL A 63 13.201 -11.757 -29.930 1.00 14.34 H new ATOM 0 HB VAL A 63 11.934 -13.900 -28.995 1.00 20.21 H new ATOM 0 HG11 VAL A 63 11.704 -13.839 -26.546 1.00 11.04 H new ATOM 0 HG12 VAL A 63 13.373 -14.207 -27.044 1.00 11.04 H new ATOM 0 HG13 VAL A 63 12.956 -12.577 -26.464 1.00 11.04 H new ATOM 0 HG21 VAL A 63 10.263 -12.418 -27.962 1.00 51.03 H new ATOM 0 HG22 VAL A 63 11.455 -11.097 -27.939 1.00 51.03 H new ATOM 0 HG23 VAL A 63 10.883 -11.751 -29.491 1.00 51.03 H new ATOM 693 N VAL A 64 13.907 -10.512 -27.744 1.00 14.34 N ATOM 694 CA VAL A 64 14.622 -9.696 -26.770 1.00 14.33 C ATOM 695 C VAL A 64 13.826 -9.560 -25.476 1.00 72.52 C ATOM 696 O VAL A 64 12.595 -9.515 -25.494 1.00 41.04 O ATOM 697 CB VAL A 64 14.919 -8.290 -27.325 1.00 24.13 C ATOM 698 CG1 VAL A 64 15.862 -7.538 -26.398 1.00 34.21 C ATOM 699 CG2 VAL A 64 15.501 -8.385 -28.727 1.00 65.22 C ATOM 0 H VAL A 64 13.047 -10.092 -28.096 1.00 14.34 H new ATOM 0 HA VAL A 64 15.564 -10.204 -26.563 1.00 14.33 H new ATOM 0 HB VAL A 64 13.983 -7.734 -27.380 1.00 24.13 H new ATOM 0 HG11 VAL A 64 16.060 -6.547 -26.806 1.00 34.21 H new ATOM 0 HG12 VAL A 64 15.403 -7.440 -25.414 1.00 34.21 H new ATOM 0 HG13 VAL A 64 16.799 -8.088 -26.308 1.00 34.21 H new ATOM 0 HG21 VAL A 64 15.705 -7.383 -29.105 1.00 65.22 H new ATOM 0 HG22 VAL A 64 16.428 -8.958 -28.698 1.00 65.22 H new ATOM 0 HG23 VAL A 64 14.788 -8.882 -29.384 1.00 65.22 H new ATOM 709 N TYR A 65 14.535 -9.498 -24.355 1.00 4.12 N ATOM 710 CA TYR A 65 13.895 -9.369 -23.051 1.00 63.23 C ATOM 711 C TYR A 65 14.755 -8.540 -22.102 1.00 31.33 C ATOM 712 O TYR A 65 15.901 -8.215 -22.408 1.00 33.12 O ATOM 713 CB TYR A 65 13.638 -10.752 -22.449 1.00 52.41 C ATOM 714 CG TYR A 65 14.889 -11.585 -22.289 1.00 34.43 C ATOM 715 CD1 TYR A 65 15.394 -12.326 -23.350 1.00 34.43 C ATOM 716 CD2 TYR A 65 15.566 -11.632 -21.076 1.00 43.43 C ATOM 717 CE1 TYR A 65 16.536 -13.090 -23.208 1.00 22.22 C ATOM 718 CE2 TYR A 65 16.710 -12.391 -20.926 1.00 34.43 C ATOM 719 CZ TYR A 65 17.190 -13.119 -21.994 1.00 62.31 C ATOM 720 OH TYR A 65 18.330 -13.878 -21.849 1.00 54.32 O ATOM 0 H TYR A 65 15.554 -9.535 -24.323 1.00 4.12 H new ATOM 0 HA TYR A 65 12.943 -8.857 -23.189 1.00 63.23 H new ATOM 0 HB2 TYR A 65 13.164 -10.632 -21.475 1.00 52.41 H new ATOM 0 HB3 TYR A 65 12.932 -11.289 -23.083 1.00 52.41 H new ATOM 0 HD1 TYR A 65 14.885 -12.304 -24.302 1.00 34.43 H new ATOM 0 HD2 TYR A 65 15.191 -11.065 -20.237 1.00 43.43 H new ATOM 0 HE1 TYR A 65 16.915 -13.661 -24.043 1.00 22.22 H new ATOM 0 HE2 TYR A 65 17.226 -12.414 -19.977 1.00 34.43 H new ATOM 0 HH TYR A 65 18.108 -14.826 -21.961 1.00 54.32 H new ATOM 730 N ASN A 66 14.190 -8.204 -20.947 1.00 5.54 N ATOM 731 CA ASN A 66 14.904 -7.412 -19.950 1.00 33.03 C ATOM 732 C ASN A 66 15.411 -8.296 -18.814 1.00 13.30 C ATOM 733 O ASN A 66 14.977 -9.438 -18.663 1.00 62.41 O ATOM 734 CB ASN A 66 13.994 -6.316 -19.391 1.00 54.33 C ATOM 735 CG ASN A 66 14.776 -5.136 -18.849 1.00 53.22 C ATOM 736 OD1 ASN A 66 14.779 -4.879 -17.645 1.00 65.44 O ATOM 737 ND2 ASN A 66 15.444 -4.410 -19.738 1.00 75.05 N ATOM 0 H ASN A 66 13.242 -8.467 -20.678 1.00 5.54 H new ATOM 0 HA ASN A 66 15.762 -6.949 -20.437 1.00 33.03 H new ATOM 0 HB2 ASN A 66 13.320 -5.972 -20.176 1.00 54.33 H new ATOM 0 HB3 ASN A 66 13.373 -6.732 -18.598 1.00 54.33 H new ATOM 0 HD21 ASN A 66 15.988 -3.603 -19.432 1.00 75.05 H new ATOM 0 HD22 ASN A 66 15.413 -4.659 -20.727 1.00 75.05 H new ATOM 744 N ILE A 67 16.328 -7.759 -18.019 1.00 23.24 N ATOM 745 CA ILE A 67 16.892 -8.498 -16.896 1.00 1.35 C ATOM 746 C ILE A 67 16.347 -7.981 -15.568 1.00 64.34 C ATOM 747 O ILE A 67 16.578 -6.831 -15.196 1.00 4.33 O ATOM 748 CB ILE A 67 18.430 -8.407 -16.877 1.00 1.01 C ATOM 749 CG1 ILE A 67 19.009 -8.913 -18.199 1.00 72.41 C ATOM 750 CG2 ILE A 67 18.993 -9.199 -15.706 1.00 73.24 C ATOM 751 CD1 ILE A 67 19.908 -7.911 -18.889 1.00 21.54 C ATOM 0 H ILE A 67 16.697 -6.815 -18.131 1.00 23.24 H new ATOM 0 HA ILE A 67 16.599 -9.540 -17.025 1.00 1.35 H new ATOM 0 HB ILE A 67 18.716 -7.363 -16.754 1.00 1.01 H new ATOM 0 HG12 ILE A 67 19.573 -9.827 -18.013 1.00 72.41 H new ATOM 0 HG13 ILE A 67 18.190 -9.175 -18.868 1.00 72.41 H new ATOM 0 HG21 ILE A 67 20.080 -9.125 -15.706 1.00 73.24 H new ATOM 0 HG22 ILE A 67 18.602 -8.795 -14.772 1.00 73.24 H new ATOM 0 HG23 ILE A 67 18.700 -10.245 -15.800 1.00 73.24 H new ATOM 0 HD11 ILE A 67 20.282 -8.338 -19.819 1.00 21.54 H new ATOM 0 HD12 ILE A 67 19.343 -7.005 -19.107 1.00 21.54 H new ATOM 0 HD13 ILE A 67 20.748 -7.667 -18.238 1.00 21.54 H new ATOM 763 N LEU A 68 15.624 -8.840 -14.859 1.00 22.33 N ATOM 764 CA LEU A 68 15.046 -8.472 -13.570 1.00 22.11 C ATOM 765 C LEU A 68 15.381 -9.513 -12.506 1.00 14.41 C ATOM 766 O LEU A 68 14.970 -10.669 -12.605 1.00 2.20 O ATOM 767 CB LEU A 68 13.529 -8.321 -13.694 1.00 72.30 C ATOM 768 CG LEU A 68 12.995 -8.034 -15.098 1.00 1.33 C ATOM 769 CD1 LEU A 68 11.481 -8.179 -15.133 1.00 3.51 C ATOM 770 CD2 LEU A 68 13.411 -6.643 -15.553 1.00 4.24 C ATOM 0 H LEU A 68 15.424 -9.796 -15.154 1.00 22.33 H new ATOM 0 HA LEU A 68 15.476 -7.518 -13.265 1.00 22.11 H new ATOM 0 HB2 LEU A 68 13.062 -9.236 -13.330 1.00 72.30 H new ATOM 0 HB3 LEU A 68 13.209 -7.515 -13.034 1.00 72.30 H new ATOM 0 HG LEU A 68 13.425 -8.762 -15.786 1.00 1.33 H new ATOM 0 HD11 LEU A 68 11.119 -7.971 -16.140 1.00 3.51 H new ATOM 0 HD12 LEU A 68 11.206 -9.195 -14.851 1.00 3.51 H new ATOM 0 HD13 LEU A 68 11.032 -7.474 -14.433 1.00 3.51 H new ATOM 0 HD21 LEU A 68 13.022 -6.456 -16.554 1.00 4.24 H new ATOM 0 HD22 LEU A 68 13.010 -5.900 -14.864 1.00 4.24 H new ATOM 0 HD23 LEU A 68 14.499 -6.575 -15.568 1.00 4.24 H new ATOM 782 N GLU A 69 16.126 -9.094 -11.489 1.00 33.03 N ATOM 783 CA GLU A 69 16.514 -9.991 -10.406 1.00 52.43 C ATOM 784 C GLU A 69 15.942 -9.513 -9.074 1.00 74.11 C ATOM 785 O GLU A 69 16.246 -8.412 -8.614 1.00 23.54 O ATOM 786 CB GLU A 69 18.038 -10.087 -10.314 1.00 51.13 C ATOM 787 CG GLU A 69 18.717 -10.279 -11.660 1.00 31.52 C ATOM 788 CD GLU A 69 19.940 -11.172 -11.573 1.00 43.40 C ATOM 789 OE1 GLU A 69 20.479 -11.331 -10.458 1.00 21.35 O ATOM 790 OE2 GLU A 69 20.359 -11.710 -12.619 1.00 61.13 O ATOM 0 H GLU A 69 16.473 -8.140 -11.392 1.00 33.03 H new ATOM 0 HA GLU A 69 16.108 -10.979 -10.623 1.00 52.43 H new ATOM 0 HB2 GLU A 69 18.423 -9.180 -9.848 1.00 51.13 H new ATOM 0 HB3 GLU A 69 18.303 -10.918 -9.661 1.00 51.13 H new ATOM 0 HG2 GLU A 69 18.005 -10.711 -12.364 1.00 31.52 H new ATOM 0 HG3 GLU A 69 19.009 -9.307 -12.058 1.00 31.52 H new ATOM 797 N LEU A 70 15.112 -10.349 -8.460 1.00 1.22 N ATOM 798 CA LEU A 70 14.497 -10.014 -7.181 1.00 33.13 C ATOM 799 C LEU A 70 15.525 -10.052 -6.054 1.00 60.32 C ATOM 800 O LEU A 70 15.256 -9.608 -4.938 1.00 51.31 O ATOM 801 CB LEU A 70 13.352 -10.981 -6.874 1.00 50.30 C ATOM 802 CG LEU A 70 12.216 -11.022 -7.896 1.00 11.20 C ATOM 803 CD1 LEU A 70 11.970 -9.638 -8.477 1.00 2.45 C ATOM 804 CD2 LEU A 70 12.528 -12.018 -9.002 1.00 64.33 C ATOM 0 H LEU A 70 14.850 -11.264 -8.827 1.00 1.22 H new ATOM 0 HA LEU A 70 14.101 -9.001 -7.252 1.00 33.13 H new ATOM 0 HB2 LEU A 70 13.766 -11.985 -6.781 1.00 50.30 H new ATOM 0 HB3 LEU A 70 12.931 -10.718 -5.903 1.00 50.30 H new ATOM 0 HG LEU A 70 11.308 -11.347 -7.387 1.00 11.20 H new ATOM 0 HD11 LEU A 70 11.158 -9.687 -9.202 1.00 2.45 H new ATOM 0 HD12 LEU A 70 11.700 -8.950 -7.676 1.00 2.45 H new ATOM 0 HD13 LEU A 70 12.876 -9.284 -8.970 1.00 2.45 H new ATOM 0 HD21 LEU A 70 11.708 -12.033 -9.720 1.00 64.33 H new ATOM 0 HD22 LEU A 70 13.448 -11.724 -9.508 1.00 64.33 H new ATOM 0 HD23 LEU A 70 12.652 -13.012 -8.572 1.00 64.33 H new ATOM 816 N ASP A 71 16.704 -10.584 -6.356 1.00 1.22 N ATOM 817 CA ASP A 71 17.776 -10.677 -5.370 1.00 74.11 C ATOM 818 C ASP A 71 18.656 -9.431 -5.405 1.00 32.31 C ATOM 819 O ASP A 71 19.557 -9.275 -4.582 1.00 42.40 O ATOM 820 CB ASP A 71 18.624 -11.924 -5.625 1.00 30.24 C ATOM 821 CG ASP A 71 18.940 -12.679 -4.349 1.00 30.42 C ATOM 822 OD1 ASP A 71 17.996 -13.191 -3.712 1.00 12.35 O ATOM 823 OD2 ASP A 71 20.133 -12.759 -3.987 1.00 52.10 O ATOM 0 H ASP A 71 16.942 -10.957 -7.275 1.00 1.22 H new ATOM 0 HA ASP A 71 17.323 -10.751 -4.381 1.00 74.11 H new ATOM 0 HB2 ASP A 71 18.096 -12.584 -6.313 1.00 30.24 H new ATOM 0 HB3 ASP A 71 19.555 -11.634 -6.112 1.00 30.24 H new ATOM 828 N GLN A 72 18.388 -8.551 -6.364 1.00 4.12 N ATOM 829 CA GLN A 72 19.158 -7.321 -6.507 1.00 10.34 C ATOM 830 C GLN A 72 18.275 -6.097 -6.283 1.00 2.05 C ATOM 831 O GLN A 72 18.761 -5.027 -5.918 1.00 21.15 O ATOM 832 CB GLN A 72 19.801 -7.254 -7.893 1.00 31.23 C ATOM 833 CG GLN A 72 20.914 -8.268 -8.096 1.00 64.23 C ATOM 834 CD GLN A 72 22.280 -7.716 -7.737 1.00 60.24 C ATOM 835 OE1 GLN A 72 22.437 -7.024 -6.730 1.00 64.43 O ATOM 836 NE2 GLN A 72 23.277 -8.020 -8.560 1.00 2.20 N ATOM 0 H GLN A 72 17.645 -8.666 -7.053 1.00 4.12 H new ATOM 0 HA GLN A 72 19.943 -7.324 -5.751 1.00 10.34 H new ATOM 0 HB2 GLN A 72 19.032 -7.414 -8.649 1.00 31.23 H new ATOM 0 HB3 GLN A 72 20.200 -6.252 -8.051 1.00 31.23 H new ATOM 0 HG2 GLN A 72 20.712 -9.150 -7.488 1.00 64.23 H new ATOM 0 HG3 GLN A 72 20.919 -8.592 -9.137 1.00 64.23 H new ATOM 0 HE21 GLN A 72 23.101 -8.597 -9.383 1.00 2.20 H new ATOM 0 HE22 GLN A 72 24.218 -7.677 -8.369 1.00 2.20 H new ATOM 845 N VAL A 73 16.975 -6.264 -6.504 1.00 42.21 N ATOM 846 CA VAL A 73 16.024 -5.172 -6.326 1.00 72.42 C ATOM 847 C VAL A 73 16.042 -4.657 -4.893 1.00 2.34 C ATOM 848 O VAL A 73 16.832 -5.115 -4.066 1.00 53.15 O ATOM 849 CB VAL A 73 14.592 -5.613 -6.684 1.00 74.11 C ATOM 850 CG1 VAL A 73 14.477 -5.901 -8.173 1.00 44.51 C ATOM 851 CG2 VAL A 73 14.189 -6.830 -5.865 1.00 3.12 C ATOM 0 H VAL A 73 16.556 -7.144 -6.806 1.00 42.21 H new ATOM 0 HA VAL A 73 16.329 -4.372 -7.000 1.00 72.42 H new ATOM 0 HB VAL A 73 13.909 -4.798 -6.443 1.00 74.11 H new ATOM 0 HG11 VAL A 73 13.458 -6.211 -8.406 1.00 44.51 H new ATOM 0 HG12 VAL A 73 14.721 -5.001 -8.738 1.00 44.51 H new ATOM 0 HG13 VAL A 73 15.170 -6.698 -8.444 1.00 44.51 H new ATOM 0 HG21 VAL A 73 13.175 -7.128 -6.131 1.00 3.12 H new ATOM 0 HG22 VAL A 73 14.875 -7.652 -6.073 1.00 3.12 H new ATOM 0 HG23 VAL A 73 14.229 -6.584 -4.804 1.00 3.12 H new ATOM 861 N ASP A 74 15.166 -3.700 -4.603 1.00 74.21 N ATOM 862 CA ASP A 74 15.079 -3.122 -3.266 1.00 43.15 C ATOM 863 C ASP A 74 13.851 -3.643 -2.528 1.00 21.34 C ATOM 864 O ASP A 74 13.924 -3.988 -1.348 1.00 51.31 O ATOM 865 CB ASP A 74 15.030 -1.596 -3.351 1.00 13.42 C ATOM 866 CG ASP A 74 16.250 -0.942 -2.732 1.00 62.33 C ATOM 867 OD1 ASP A 74 16.577 -1.273 -1.572 1.00 50.34 O ATOM 868 OD2 ASP A 74 16.878 -0.100 -3.407 1.00 63.44 O ATOM 0 H ASP A 74 14.507 -3.308 -5.275 1.00 74.21 H new ATOM 0 HA ASP A 74 15.968 -3.419 -2.709 1.00 43.15 H new ATOM 0 HB2 ASP A 74 14.951 -1.296 -4.396 1.00 13.42 H new ATOM 0 HB3 ASP A 74 14.133 -1.236 -2.847 1.00 13.42 H new ATOM 873 N ASP A 75 12.724 -3.696 -3.228 1.00 21.51 N ATOM 874 CA ASP A 75 11.479 -4.175 -2.639 1.00 62.30 C ATOM 875 C ASP A 75 11.280 -5.661 -2.921 1.00 2.22 C ATOM 876 O ASP A 75 10.158 -6.164 -2.891 1.00 62.31 O ATOM 877 CB ASP A 75 10.293 -3.377 -3.181 1.00 52.04 C ATOM 878 CG ASP A 75 10.633 -1.918 -3.413 1.00 71.41 C ATOM 879 OD1 ASP A 75 11.379 -1.345 -2.591 1.00 63.53 O ATOM 880 OD2 ASP A 75 10.154 -1.349 -4.416 1.00 62.23 O ATOM 0 H ASP A 75 12.647 -3.413 -4.205 1.00 21.51 H new ATOM 0 HA ASP A 75 11.539 -4.034 -1.560 1.00 62.30 H new ATOM 0 HB2 ASP A 75 9.957 -3.822 -4.118 1.00 52.04 H new ATOM 0 HB3 ASP A 75 9.462 -3.446 -2.479 1.00 52.04 H new ATOM 885 N GLY A 76 12.379 -6.358 -3.195 1.00 55.25 N ATOM 886 CA GLY A 76 12.303 -7.779 -3.480 1.00 25.50 C ATOM 887 C GLY A 76 11.493 -8.536 -2.446 1.00 43.33 C ATOM 888 O GLY A 76 10.840 -9.528 -2.765 1.00 72.34 O ATOM 0 H GLY A 76 13.319 -5.964 -3.225 1.00 55.25 H new ATOM 0 HA2 GLY A 76 11.858 -7.926 -4.464 1.00 25.50 H new ATOM 0 HA3 GLY A 76 13.311 -8.192 -3.521 1.00 25.50 H new ATOM 892 N ALA A 77 11.536 -8.066 -1.204 1.00 54.01 N ATOM 893 CA ALA A 77 10.800 -8.705 -0.120 1.00 13.12 C ATOM 894 C ALA A 77 9.334 -8.902 -0.493 1.00 43.45 C ATOM 895 O ALA A 77 8.794 -10.001 -0.371 1.00 44.43 O ATOM 896 CB ALA A 77 10.916 -7.881 1.154 1.00 13.22 C ATOM 0 H ALA A 77 12.073 -7.245 -0.923 1.00 54.01 H new ATOM 0 HA ALA A 77 11.239 -9.687 0.054 1.00 13.12 H new ATOM 0 HB1 ALA A 77 10.362 -8.370 1.955 1.00 13.22 H new ATOM 0 HB2 ALA A 77 11.965 -7.796 1.438 1.00 13.22 H new ATOM 0 HB3 ALA A 77 10.505 -6.886 0.983 1.00 13.22 H new ATOM 902 N SER A 78 8.694 -7.828 -0.947 1.00 3.11 N ATOM 903 CA SER A 78 7.290 -7.883 -1.334 1.00 12.42 C ATOM 904 C SER A 78 7.141 -8.357 -2.776 1.00 20.34 C ATOM 905 O SER A 78 6.245 -9.140 -3.094 1.00 52.34 O ATOM 906 CB SER A 78 6.640 -6.506 -1.169 1.00 21.23 C ATOM 907 OG SER A 78 6.494 -6.172 0.201 1.00 63.35 O ATOM 0 H SER A 78 9.126 -6.910 -1.055 1.00 3.11 H new ATOM 0 HA SER A 78 6.787 -8.597 -0.682 1.00 12.42 H new ATOM 0 HB2 SER A 78 7.248 -5.751 -1.668 1.00 21.23 H new ATOM 0 HB3 SER A 78 5.664 -6.501 -1.654 1.00 21.23 H new ATOM 0 HG SER A 78 6.078 -5.288 0.280 1.00 63.35 H new ATOM 913 N VAL A 79 8.026 -7.879 -3.645 1.00 13.44 N ATOM 914 CA VAL A 79 7.995 -8.255 -5.053 1.00 51.30 C ATOM 915 C VAL A 79 7.984 -9.771 -5.217 1.00 63.02 C ATOM 916 O VAL A 79 6.998 -10.348 -5.674 1.00 62.14 O ATOM 917 CB VAL A 79 9.202 -7.676 -5.815 1.00 53.31 C ATOM 918 CG1 VAL A 79 9.131 -8.046 -7.289 1.00 13.10 C ATOM 919 CG2 VAL A 79 9.268 -6.166 -5.638 1.00 73.04 C ATOM 0 H VAL A 79 8.773 -7.230 -3.398 1.00 13.44 H new ATOM 0 HA VAL A 79 7.078 -7.841 -5.471 1.00 51.30 H new ATOM 0 HB VAL A 79 10.113 -8.108 -5.401 1.00 53.31 H new ATOM 0 HG11 VAL A 79 9.992 -7.628 -7.811 1.00 13.10 H new ATOM 0 HG12 VAL A 79 9.135 -9.131 -7.392 1.00 13.10 H new ATOM 0 HG13 VAL A 79 8.215 -7.644 -7.721 1.00 13.10 H new ATOM 0 HG21 VAL A 79 10.126 -5.773 -6.183 1.00 73.04 H new ATOM 0 HG22 VAL A 79 8.355 -5.714 -6.025 1.00 73.04 H new ATOM 0 HG23 VAL A 79 9.370 -5.928 -4.579 1.00 73.04 H new ATOM 929 N GLN A 80 9.087 -10.409 -4.840 1.00 3.33 N ATOM 930 CA GLN A 80 9.205 -11.859 -4.946 1.00 1.24 C ATOM 931 C GLN A 80 8.116 -12.553 -4.135 1.00 33.03 C ATOM 932 O GLN A 80 7.736 -13.685 -4.431 1.00 73.02 O ATOM 933 CB GLN A 80 10.584 -12.316 -4.468 1.00 14.25 C ATOM 934 CG GLN A 80 11.206 -13.391 -5.344 1.00 40.43 C ATOM 935 CD GLN A 80 12.147 -14.298 -4.576 1.00 44.24 C ATOM 936 OE1 GLN A 80 12.066 -15.522 -4.676 1.00 21.12 O ATOM 937 NE2 GLN A 80 13.047 -13.700 -3.804 1.00 43.02 N ATOM 0 H GLN A 80 9.912 -9.945 -4.459 1.00 3.33 H new ATOM 0 HA GLN A 80 9.083 -12.133 -5.994 1.00 1.24 H new ATOM 0 HB2 GLN A 80 11.252 -11.455 -4.435 1.00 14.25 H new ATOM 0 HB3 GLN A 80 10.499 -12.693 -3.449 1.00 14.25 H new ATOM 0 HG2 GLN A 80 10.415 -13.991 -5.793 1.00 40.43 H new ATOM 0 HG3 GLN A 80 11.750 -12.918 -6.162 1.00 40.43 H new ATOM 0 HE21 GLN A 80 13.078 -12.682 -3.751 1.00 43.02 H new ATOM 0 HE22 GLN A 80 13.707 -14.259 -3.264 1.00 43.02 H new ATOM 946 N GLU A 81 7.619 -11.867 -3.110 1.00 52.10 N ATOM 947 CA GLU A 81 6.575 -12.421 -2.256 1.00 1.53 C ATOM 948 C GLU A 81 5.297 -12.672 -3.052 1.00 24.43 C ATOM 949 O GLU A 81 4.711 -13.753 -2.981 1.00 13.44 O ATOM 950 CB GLU A 81 6.284 -11.474 -1.089 1.00 41.55 C ATOM 951 CG GLU A 81 6.778 -11.989 0.252 1.00 50.24 C ATOM 952 CD GLU A 81 5.731 -12.806 0.984 1.00 71.15 C ATOM 953 OE1 GLU A 81 5.174 -13.742 0.373 1.00 2.43 O ATOM 954 OE2 GLU A 81 5.470 -12.509 2.168 1.00 14.21 O ATOM 0 H GLU A 81 7.922 -10.928 -2.851 1.00 52.10 H new ATOM 0 HA GLU A 81 6.930 -13.373 -1.862 1.00 1.53 H new ATOM 0 HB2 GLU A 81 6.748 -10.509 -1.291 1.00 41.55 H new ATOM 0 HB3 GLU A 81 5.209 -11.304 -1.030 1.00 41.55 H new ATOM 0 HG2 GLU A 81 7.667 -12.600 0.097 1.00 50.24 H new ATOM 0 HG3 GLU A 81 7.075 -11.145 0.874 1.00 50.24 H new ATOM 961 N VAL A 82 4.872 -11.667 -3.810 1.00 12.34 N ATOM 962 CA VAL A 82 3.665 -11.778 -4.619 1.00 53.23 C ATOM 963 C VAL A 82 3.968 -12.404 -5.975 1.00 44.15 C ATOM 964 O VAL A 82 3.081 -12.949 -6.634 1.00 5.13 O ATOM 965 CB VAL A 82 3.006 -10.403 -4.837 1.00 51.51 C ATOM 966 CG1 VAL A 82 1.524 -10.562 -5.137 1.00 74.21 C ATOM 967 CG2 VAL A 82 3.219 -9.511 -3.623 1.00 23.20 C ATOM 0 H VAL A 82 5.346 -10.767 -3.881 1.00 12.34 H new ATOM 0 HA VAL A 82 2.975 -12.420 -4.071 1.00 53.23 H new ATOM 0 HB VAL A 82 3.477 -9.927 -5.697 1.00 51.51 H new ATOM 0 HG11 VAL A 82 1.076 -9.580 -5.288 1.00 74.21 H new ATOM 0 HG12 VAL A 82 1.398 -11.161 -6.039 1.00 74.21 H new ATOM 0 HG13 VAL A 82 1.035 -11.059 -4.300 1.00 74.21 H new ATOM 0 HG21 VAL A 82 2.747 -8.544 -3.795 1.00 23.20 H new ATOM 0 HG22 VAL A 82 2.776 -9.980 -2.745 1.00 23.20 H new ATOM 0 HG23 VAL A 82 4.287 -9.369 -3.459 1.00 23.20 H new ATOM 977 N LEU A 83 5.228 -12.323 -6.389 1.00 21.40 N ATOM 978 CA LEU A 83 5.651 -12.883 -7.668 1.00 51.30 C ATOM 979 C LEU A 83 5.789 -14.399 -7.580 1.00 32.03 C ATOM 980 O LEU A 83 5.283 -15.131 -8.432 1.00 14.11 O ATOM 981 CB LEU A 83 6.981 -12.263 -8.104 1.00 32.05 C ATOM 982 CG LEU A 83 7.168 -12.068 -9.609 1.00 2.52 C ATOM 983 CD1 LEU A 83 7.556 -10.629 -9.915 1.00 11.51 C ATOM 984 CD2 LEU A 83 8.218 -13.030 -10.145 1.00 13.14 C ATOM 0 H LEU A 83 5.974 -11.875 -5.858 1.00 21.40 H new ATOM 0 HA LEU A 83 4.887 -12.649 -8.409 1.00 51.30 H new ATOM 0 HB2 LEU A 83 7.084 -11.294 -7.616 1.00 32.05 H new ATOM 0 HB3 LEU A 83 7.791 -12.893 -7.736 1.00 32.05 H new ATOM 0 HG LEU A 83 6.221 -12.282 -10.105 1.00 2.52 H new ATOM 0 HD11 LEU A 83 7.685 -10.508 -10.991 1.00 11.51 H new ATOM 0 HD12 LEU A 83 6.771 -9.958 -9.566 1.00 11.51 H new ATOM 0 HD13 LEU A 83 8.490 -10.388 -9.408 1.00 11.51 H new ATOM 0 HD21 LEU A 83 8.338 -12.877 -11.218 1.00 13.14 H new ATOM 0 HD22 LEU A 83 9.169 -12.847 -9.644 1.00 13.14 H new ATOM 0 HD23 LEU A 83 7.901 -14.056 -9.958 1.00 13.14 H new ATOM 996 N THR A 84 6.476 -14.867 -6.542 1.00 10.31 N ATOM 997 CA THR A 84 6.679 -16.297 -6.341 1.00 42.35 C ATOM 998 C THR A 84 5.351 -17.043 -6.327 1.00 33.55 C ATOM 999 O THR A 84 5.292 -18.228 -6.655 1.00 10.11 O ATOM 1000 CB THR A 84 7.429 -16.577 -5.026 1.00 60.54 C ATOM 1001 OG1 THR A 84 8.813 -16.239 -5.169 1.00 65.42 O ATOM 1002 CG2 THR A 84 7.298 -18.041 -4.631 1.00 63.31 C ATOM 0 H THR A 84 6.901 -14.276 -5.827 1.00 10.31 H new ATOM 0 HA THR A 84 7.282 -16.653 -7.176 1.00 42.35 H new ATOM 0 HB THR A 84 6.985 -15.963 -4.242 1.00 60.54 H new ATOM 0 HG1 THR A 84 8.946 -15.297 -4.932 1.00 65.42 H new ATOM 0 HG21 THR A 84 7.836 -18.216 -3.699 1.00 63.31 H new ATOM 0 HG22 THR A 84 6.245 -18.288 -4.495 1.00 63.31 H new ATOM 0 HG23 THR A 84 7.719 -18.669 -5.416 1.00 63.31 H new ATOM 1010 N GLU A 85 4.288 -16.343 -5.944 1.00 61.51 N ATOM 1011 CA GLU A 85 2.959 -16.943 -5.886 1.00 23.04 C ATOM 1012 C GLU A 85 2.371 -17.098 -7.286 1.00 31.22 C ATOM 1013 O GLU A 85 1.556 -17.987 -7.532 1.00 64.35 O ATOM 1014 CB GLU A 85 2.028 -16.092 -5.021 1.00 22.22 C ATOM 1015 CG GLU A 85 1.627 -16.762 -3.717 1.00 52.13 C ATOM 1016 CD GLU A 85 2.078 -15.983 -2.497 1.00 41.51 C ATOM 1017 OE1 GLU A 85 3.211 -16.216 -2.029 1.00 25.21 O ATOM 1018 OE2 GLU A 85 1.296 -15.139 -2.011 1.00 41.20 O ATOM 0 H GLU A 85 4.320 -15.361 -5.669 1.00 61.51 H new ATOM 0 HA GLU A 85 3.054 -17.932 -5.439 1.00 23.04 H new ATOM 0 HB2 GLU A 85 2.519 -15.145 -4.797 1.00 22.22 H new ATOM 0 HB3 GLU A 85 1.129 -15.858 -5.591 1.00 22.22 H new ATOM 0 HG2 GLU A 85 0.543 -16.876 -3.690 1.00 52.13 H new ATOM 0 HG3 GLU A 85 2.054 -17.764 -3.682 1.00 52.13 H new ATOM 1025 N ILE A 86 2.790 -16.226 -8.196 1.00 14.50 N ATOM 1026 CA ILE A 86 2.305 -16.265 -9.570 1.00 51.40 C ATOM 1027 C ILE A 86 2.441 -17.664 -10.162 1.00 5.15 C ATOM 1028 O ILE A 86 1.574 -18.122 -10.905 1.00 14.31 O ATOM 1029 CB ILE A 86 3.063 -15.266 -10.464 1.00 4.41 C ATOM 1030 CG1 ILE A 86 2.929 -13.846 -9.908 1.00 24.44 C ATOM 1031 CG2 ILE A 86 2.544 -15.333 -11.892 1.00 52.42 C ATOM 1032 CD1 ILE A 86 3.646 -12.803 -10.736 1.00 24.11 C ATOM 0 H ILE A 86 3.464 -15.484 -8.007 1.00 14.50 H new ATOM 0 HA ILE A 86 1.252 -15.986 -9.540 1.00 51.40 H new ATOM 0 HB ILE A 86 4.119 -15.535 -10.469 1.00 4.41 H new ATOM 0 HG12 ILE A 86 1.872 -13.586 -9.847 1.00 24.44 H new ATOM 0 HG13 ILE A 86 3.322 -13.824 -8.891 1.00 24.44 H new ATOM 0 HG21 ILE A 86 3.090 -14.621 -12.511 1.00 52.42 H new ATOM 0 HG22 ILE A 86 2.687 -16.340 -12.284 1.00 52.42 H new ATOM 0 HG23 ILE A 86 1.482 -15.086 -11.905 1.00 52.42 H new ATOM 0 HD11 ILE A 86 3.508 -11.821 -10.283 1.00 24.11 H new ATOM 0 HD12 ILE A 86 4.710 -13.038 -10.776 1.00 24.11 H new ATOM 0 HD13 ILE A 86 3.238 -12.797 -11.747 1.00 24.11 H new ATOM 1044 N SER A 87 3.536 -18.338 -9.824 1.00 35.40 N ATOM 1045 CA SER A 87 3.786 -19.685 -10.323 1.00 65.22 C ATOM 1046 C SER A 87 3.848 -20.688 -9.174 1.00 52.11 C ATOM 1047 O SER A 87 3.832 -21.899 -9.391 1.00 3.32 O ATOM 1048 CB SER A 87 5.094 -19.723 -11.116 1.00 45.42 C ATOM 1049 OG SER A 87 5.552 -18.413 -11.407 1.00 60.23 O ATOM 0 H SER A 87 4.263 -17.974 -9.208 1.00 35.40 H new ATOM 0 HA SER A 87 2.961 -19.961 -10.980 1.00 65.22 H new ATOM 0 HB2 SER A 87 5.853 -20.259 -10.546 1.00 45.42 H new ATOM 0 HB3 SER A 87 4.944 -20.274 -12.044 1.00 45.42 H new ATOM 0 HG SER A 87 6.531 -18.413 -11.459 1.00 60.23 H new ATOM 1055 N ASN A 88 3.917 -20.173 -7.951 1.00 71.24 N ATOM 1056 CA ASN A 88 3.981 -21.021 -6.767 1.00 34.34 C ATOM 1057 C ASN A 88 5.086 -22.065 -6.904 1.00 11.44 C ATOM 1058 O ASN A 88 4.872 -23.247 -6.637 1.00 34.40 O ATOM 1059 CB ASN A 88 2.636 -21.714 -6.537 1.00 13.23 C ATOM 1060 CG ASN A 88 1.484 -20.730 -6.461 1.00 25.50 C ATOM 1061 OD1 ASN A 88 1.280 -20.074 -5.440 1.00 4.43 O ATOM 1062 ND2 ASN A 88 0.724 -20.624 -7.545 1.00 64.04 N ATOM 0 H ASN A 88 3.930 -19.172 -7.754 1.00 71.24 H new ATOM 0 HA ASN A 88 4.208 -20.388 -5.909 1.00 34.34 H new ATOM 0 HB2 ASN A 88 2.453 -22.422 -7.345 1.00 13.23 H new ATOM 0 HB3 ASN A 88 2.680 -22.290 -5.612 1.00 13.23 H new ATOM 0 HD21 ASN A 88 -0.066 -19.979 -7.553 1.00 64.04 H new ATOM 0 HD22 ASN A 88 0.930 -21.188 -8.370 1.00 64.04 H new ATOM 1069 N GLN A 89 6.265 -21.618 -7.321 1.00 41.13 N ATOM 1070 CA GLN A 89 7.403 -22.513 -7.494 1.00 50.43 C ATOM 1071 C GLN A 89 8.583 -22.063 -6.639 1.00 24.35 C ATOM 1072 O GLN A 89 8.752 -20.874 -6.370 1.00 25.01 O ATOM 1073 CB GLN A 89 7.816 -22.569 -8.966 1.00 23.14 C ATOM 1074 CG GLN A 89 7.137 -23.682 -9.746 1.00 50.25 C ATOM 1075 CD GLN A 89 6.215 -23.156 -10.829 1.00 73.21 C ATOM 1076 OE1 GLN A 89 5.063 -23.577 -10.937 1.00 52.42 O ATOM 1077 NE2 GLN A 89 6.718 -22.231 -11.637 1.00 75.14 N ATOM 0 H GLN A 89 6.458 -20.642 -7.545 1.00 41.13 H new ATOM 0 HA GLN A 89 7.102 -23.510 -7.171 1.00 50.43 H new ATOM 0 HB2 GLN A 89 7.584 -21.613 -9.436 1.00 23.14 H new ATOM 0 HB3 GLN A 89 8.896 -22.701 -9.027 1.00 23.14 H new ATOM 0 HG2 GLN A 89 7.897 -24.319 -10.199 1.00 50.25 H new ATOM 0 HG3 GLN A 89 6.566 -24.306 -9.059 1.00 50.25 H new ATOM 0 HE21 GLN A 89 7.678 -21.911 -11.511 1.00 75.14 H new ATOM 0 HE22 GLN A 89 6.144 -21.840 -12.384 1.00 75.14 H new ATOM 1086 N LYS A 90 9.399 -23.023 -6.214 1.00 24.14 N ATOM 1087 CA LYS A 90 10.565 -22.727 -5.390 1.00 20.40 C ATOM 1088 C LYS A 90 11.326 -21.524 -5.936 1.00 25.24 C ATOM 1089 O LYS A 90 11.740 -20.643 -5.182 1.00 2.31 O ATOM 1090 CB LYS A 90 11.491 -23.944 -5.325 1.00 23.53 C ATOM 1091 CG LYS A 90 12.058 -24.205 -3.940 1.00 1.41 C ATOM 1092 CD LYS A 90 12.998 -25.398 -3.938 1.00 34.44 C ATOM 1093 CE LYS A 90 13.732 -25.527 -2.611 1.00 34.31 C ATOM 1094 NZ LYS A 90 14.780 -26.584 -2.658 1.00 71.12 N ATOM 0 H LYS A 90 9.274 -24.013 -6.427 1.00 24.14 H new ATOM 0 HA LYS A 90 10.218 -22.488 -4.385 1.00 20.40 H new ATOM 0 HB2 LYS A 90 10.942 -24.826 -5.655 1.00 23.53 H new ATOM 0 HB3 LYS A 90 12.315 -23.801 -6.024 1.00 23.53 H new ATOM 0 HG2 LYS A 90 12.591 -23.320 -3.591 1.00 1.41 H new ATOM 0 HG3 LYS A 90 11.242 -24.382 -3.239 1.00 1.41 H new ATOM 0 HD2 LYS A 90 12.432 -26.309 -4.132 1.00 34.44 H new ATOM 0 HD3 LYS A 90 13.721 -25.294 -4.747 1.00 34.44 H new ATOM 0 HE2 LYS A 90 14.191 -24.572 -2.355 1.00 34.31 H new ATOM 0 HE3 LYS A 90 13.017 -25.759 -1.821 1.00 34.31 H new ATOM 0 HZ1 LYS A 90 15.257 -26.641 -1.736 1.00 71.12 H new ATOM 0 HZ2 LYS A 90 14.339 -27.500 -2.877 1.00 71.12 H new ATOM 0 HZ3 LYS A 90 15.476 -26.350 -3.394 1.00 71.12 H new ATOM 1108 N THR A 91 11.509 -21.492 -7.253 1.00 12.01 N ATOM 1109 CA THR A 91 12.220 -20.397 -7.900 1.00 21.11 C ATOM 1110 C THR A 91 11.269 -19.263 -8.266 1.00 34.35 C ATOM 1111 O THR A 91 10.089 -19.292 -7.916 1.00 34.34 O ATOM 1112 CB THR A 91 12.946 -20.873 -9.172 1.00 32.40 C ATOM 1113 OG1 THR A 91 12.286 -22.024 -9.712 1.00 4.31 O ATOM 1114 CG2 THR A 91 14.399 -21.209 -8.873 1.00 12.03 C ATOM 0 H THR A 91 11.174 -22.213 -7.892 1.00 12.01 H new ATOM 0 HA THR A 91 12.957 -20.032 -7.184 1.00 21.11 H new ATOM 0 HB THR A 91 12.920 -20.064 -9.902 1.00 32.40 H new ATOM 0 HG1 THR A 91 12.753 -22.319 -10.521 1.00 4.31 H new ATOM 0 HG21 THR A 91 14.891 -21.543 -9.787 1.00 12.03 H new ATOM 0 HG22 THR A 91 14.906 -20.323 -8.491 1.00 12.03 H new ATOM 0 HG23 THR A 91 14.443 -22.002 -8.127 1.00 12.03 H new ATOM 1122 N VAL A 92 11.789 -18.265 -8.972 1.00 23.41 N ATOM 1123 CA VAL A 92 10.985 -17.122 -9.387 1.00 2.44 C ATOM 1124 C VAL A 92 10.871 -17.051 -10.905 1.00 21.41 C ATOM 1125 O VAL A 92 11.163 -16.030 -11.528 1.00 71.22 O ATOM 1126 CB VAL A 92 11.578 -15.799 -8.865 1.00 22.40 C ATOM 1127 CG1 VAL A 92 10.497 -14.737 -8.751 1.00 1.44 C ATOM 1128 CG2 VAL A 92 12.268 -16.016 -7.527 1.00 5.13 C ATOM 0 H VAL A 92 12.764 -18.225 -9.269 1.00 23.41 H new ATOM 0 HA VAL A 92 9.993 -17.261 -8.958 1.00 2.44 H new ATOM 0 HB VAL A 92 12.323 -15.448 -9.579 1.00 22.40 H new ATOM 0 HG11 VAL A 92 10.935 -13.810 -8.381 1.00 1.44 H new ATOM 0 HG12 VAL A 92 10.053 -14.563 -9.731 1.00 1.44 H new ATOM 0 HG13 VAL A 92 9.726 -15.076 -8.059 1.00 1.44 H new ATOM 0 HG21 VAL A 92 12.681 -15.071 -7.173 1.00 5.13 H new ATOM 0 HG22 VAL A 92 11.546 -16.391 -6.802 1.00 5.13 H new ATOM 0 HG23 VAL A 92 13.072 -16.742 -7.646 1.00 5.13 H new ATOM 1138 N PRO A 93 10.436 -18.163 -11.518 1.00 4.41 N ATOM 1139 CA PRO A 93 10.273 -18.252 -12.972 1.00 32.51 C ATOM 1140 C PRO A 93 9.114 -17.401 -13.479 1.00 35.41 C ATOM 1141 O PRO A 93 7.975 -17.567 -13.045 1.00 34.52 O ATOM 1142 CB PRO A 93 9.989 -19.739 -13.206 1.00 14.43 C ATOM 1143 CG PRO A 93 9.405 -20.219 -11.922 1.00 50.20 C ATOM 1144 CD PRO A 93 10.071 -19.417 -10.838 1.00 10.42 C ATOM 0 HA PRO A 93 11.149 -17.882 -13.504 1.00 32.51 H new ATOM 0 HB2 PRO A 93 9.296 -19.884 -14.035 1.00 14.43 H new ATOM 0 HB3 PRO A 93 10.901 -20.282 -13.454 1.00 14.43 H new ATOM 0 HG2 PRO A 93 8.325 -20.074 -11.907 1.00 50.20 H new ATOM 0 HG3 PRO A 93 9.586 -21.285 -11.786 1.00 50.20 H new ATOM 0 HD2 PRO A 93 9.398 -19.238 -9.999 1.00 10.42 H new ATOM 0 HD3 PRO A 93 10.948 -19.929 -10.440 1.00 10.42 H new ATOM 1152 N ASN A 94 9.412 -16.491 -14.399 1.00 50.21 N ATOM 1153 CA ASN A 94 8.393 -15.613 -14.964 1.00 21.01 C ATOM 1154 C ASN A 94 8.536 -15.522 -16.480 1.00 52.23 C ATOM 1155 O ASN A 94 9.496 -14.943 -16.991 1.00 32.45 O ATOM 1156 CB ASN A 94 8.493 -14.217 -14.346 1.00 1.30 C ATOM 1157 CG ASN A 94 7.321 -13.903 -13.437 1.00 1.24 C ATOM 1158 OD1 ASN A 94 6.734 -12.823 -13.512 1.00 32.01 O ATOM 1159 ND2 ASN A 94 6.975 -14.848 -12.570 1.00 41.01 N ATOM 0 H ASN A 94 10.350 -16.341 -14.770 1.00 50.21 H new ATOM 0 HA ASN A 94 7.415 -16.035 -14.733 1.00 21.01 H new ATOM 0 HB2 ASN A 94 9.421 -14.139 -13.779 1.00 1.30 H new ATOM 0 HB3 ASN A 94 8.542 -13.473 -15.141 1.00 1.30 H new ATOM 0 HD21 ASN A 94 6.195 -14.693 -11.932 1.00 41.01 H new ATOM 0 HD22 ASN A 94 7.490 -15.728 -12.543 1.00 41.01 H new ATOM 1166 N ILE A 95 7.573 -16.095 -17.195 1.00 51.22 N ATOM 1167 CA ILE A 95 7.590 -16.077 -18.653 1.00 33.13 C ATOM 1168 C ILE A 95 6.277 -15.539 -19.211 1.00 40.11 C ATOM 1169 O ILE A 95 5.271 -16.249 -19.254 1.00 12.44 O ATOM 1170 CB ILE A 95 7.843 -17.481 -19.231 1.00 23.34 C ATOM 1171 CG1 ILE A 95 7.321 -18.553 -18.272 1.00 2.05 C ATOM 1172 CG2 ILE A 95 9.327 -17.683 -19.501 1.00 65.44 C ATOM 1173 CD1 ILE A 95 8.351 -19.018 -17.265 1.00 53.22 C ATOM 0 H ILE A 95 6.771 -16.577 -16.788 1.00 51.22 H new ATOM 0 HA ILE A 95 8.406 -15.419 -18.951 1.00 33.13 H new ATOM 0 HB ILE A 95 7.306 -17.571 -20.175 1.00 23.34 H new ATOM 0 HG12 ILE A 95 6.455 -18.161 -17.739 1.00 2.05 H new ATOM 0 HG13 ILE A 95 6.978 -19.411 -18.851 1.00 2.05 H new ATOM 0 HG21 ILE A 95 9.490 -18.680 -19.909 1.00 65.44 H new ATOM 0 HG22 ILE A 95 9.671 -16.937 -20.217 1.00 65.44 H new ATOM 0 HG23 ILE A 95 9.884 -17.577 -18.570 1.00 65.44 H new ATOM 0 HD11 ILE A 95 7.911 -19.777 -16.619 1.00 53.22 H new ATOM 0 HD12 ILE A 95 9.208 -19.440 -17.790 1.00 53.22 H new ATOM 0 HD13 ILE A 95 8.677 -18.172 -16.660 1.00 53.22 H new ATOM 1185 N PHE A 96 6.294 -14.282 -19.640 1.00 13.34 N ATOM 1186 CA PHE A 96 5.104 -13.648 -20.197 1.00 52.11 C ATOM 1187 C PHE A 96 5.479 -12.664 -21.301 1.00 55.04 C ATOM 1188 O PHE A 96 6.115 -11.641 -21.047 1.00 12.11 O ATOM 1189 CB PHE A 96 4.323 -12.925 -19.098 1.00 34.25 C ATOM 1190 CG PHE A 96 4.096 -13.765 -17.873 1.00 2.32 C ATOM 1191 CD1 PHE A 96 5.094 -13.910 -16.922 1.00 64.15 C ATOM 1192 CD2 PHE A 96 2.886 -14.407 -17.671 1.00 12.42 C ATOM 1193 CE1 PHE A 96 4.889 -14.682 -15.795 1.00 73.54 C ATOM 1194 CE2 PHE A 96 2.674 -15.180 -16.545 1.00 41.03 C ATOM 1195 CZ PHE A 96 3.677 -15.318 -15.605 1.00 42.44 C ATOM 0 H PHE A 96 7.118 -13.682 -19.613 1.00 13.34 H new ATOM 0 HA PHE A 96 4.475 -14.428 -20.627 1.00 52.11 H new ATOM 0 HB2 PHE A 96 4.862 -12.021 -18.814 1.00 34.25 H new ATOM 0 HB3 PHE A 96 3.359 -12.609 -19.496 1.00 34.25 H new ATOM 0 HD1 PHE A 96 6.043 -13.414 -17.064 1.00 64.15 H new ATOM 0 HD2 PHE A 96 2.098 -14.302 -18.402 1.00 12.42 H new ATOM 0 HE1 PHE A 96 5.676 -14.788 -15.063 1.00 73.54 H new ATOM 0 HE2 PHE A 96 1.725 -15.676 -16.400 1.00 41.03 H new ATOM 0 HZ PHE A 96 3.514 -15.921 -14.724 1.00 42.44 H new ATOM 1205 N VAL A 97 5.080 -12.981 -22.528 1.00 53.35 N ATOM 1206 CA VAL A 97 5.372 -12.125 -23.673 1.00 24.10 C ATOM 1207 C VAL A 97 4.093 -11.556 -24.274 1.00 53.24 C ATOM 1208 O VAL A 97 3.100 -12.265 -24.432 1.00 23.14 O ATOM 1209 CB VAL A 97 6.144 -12.891 -24.764 1.00 71.32 C ATOM 1210 CG1 VAL A 97 5.317 -14.057 -25.284 1.00 40.11 C ATOM 1211 CG2 VAL A 97 6.532 -11.956 -25.898 1.00 44.32 C ATOM 0 H VAL A 97 4.553 -13.824 -22.756 1.00 53.35 H new ATOM 0 HA VAL A 97 5.992 -11.307 -23.307 1.00 24.10 H new ATOM 0 HB VAL A 97 7.058 -13.291 -24.325 1.00 71.32 H new ATOM 0 HG11 VAL A 97 5.878 -14.586 -26.054 1.00 40.11 H new ATOM 0 HG12 VAL A 97 5.094 -14.739 -24.464 1.00 40.11 H new ATOM 0 HG13 VAL A 97 4.385 -13.682 -25.708 1.00 40.11 H new ATOM 0 HG21 VAL A 97 7.077 -12.514 -26.660 1.00 44.32 H new ATOM 0 HG22 VAL A 97 5.633 -11.525 -26.338 1.00 44.32 H new ATOM 0 HG23 VAL A 97 7.165 -11.158 -25.511 1.00 44.32 H new ATOM 1221 N ASN A 98 4.125 -10.271 -24.612 1.00 15.44 N ATOM 1222 CA ASN A 98 2.966 -9.605 -25.197 1.00 24.14 C ATOM 1223 C ASN A 98 1.777 -9.644 -24.243 1.00 53.04 C ATOM 1224 O ASN A 98 0.630 -9.786 -24.668 1.00 13.22 O ATOM 1225 CB ASN A 98 2.591 -10.265 -26.526 1.00 1.42 C ATOM 1226 CG ASN A 98 1.669 -9.397 -27.361 1.00 64.30 C ATOM 1227 OD1 ASN A 98 1.119 -8.409 -26.876 1.00 22.55 O ATOM 1228 ND2 ASN A 98 1.496 -9.765 -28.626 1.00 2.31 N ATOM 0 H ASN A 98 4.940 -9.670 -24.491 1.00 15.44 H new ATOM 0 HA ASN A 98 3.229 -8.563 -25.378 1.00 24.14 H new ATOM 0 HB2 ASN A 98 3.498 -10.477 -27.092 1.00 1.42 H new ATOM 0 HB3 ASN A 98 2.107 -11.222 -26.330 1.00 1.42 H new ATOM 0 HD21 ASN A 98 0.887 -9.221 -29.237 1.00 2.31 H new ATOM 0 HD22 ASN A 98 1.972 -10.592 -28.986 1.00 2.31 H new ATOM 1235 N LYS A 99 2.057 -9.517 -22.951 1.00 2.01 N ATOM 1236 CA LYS A 99 1.012 -9.536 -21.935 1.00 33.44 C ATOM 1237 C LYS A 99 0.318 -10.893 -21.893 1.00 31.24 C ATOM 1238 O LYS A 99 -0.803 -11.015 -21.397 1.00 42.11 O ATOM 1239 CB LYS A 99 -0.015 -8.435 -22.210 1.00 63.12 C ATOM 1240 CG LYS A 99 0.609 -7.087 -22.528 1.00 31.11 C ATOM 1241 CD LYS A 99 0.307 -6.656 -23.953 1.00 64.55 C ATOM 1242 CE LYS A 99 -1.122 -6.156 -24.095 1.00 32.24 C ATOM 1243 NZ LYS A 99 -2.041 -7.230 -24.566 1.00 44.11 N ATOM 0 H LYS A 99 3.001 -9.400 -22.582 1.00 2.01 H new ATOM 0 HA LYS A 99 1.479 -9.356 -20.967 1.00 33.44 H new ATOM 0 HB2 LYS A 99 -0.647 -8.739 -23.044 1.00 63.12 H new ATOM 0 HB3 LYS A 99 -0.664 -8.330 -21.341 1.00 63.12 H new ATOM 0 HG2 LYS A 99 0.232 -6.337 -21.832 1.00 31.11 H new ATOM 0 HG3 LYS A 99 1.688 -7.141 -22.384 1.00 31.11 H new ATOM 0 HD2 LYS A 99 1.000 -5.869 -24.250 1.00 64.55 H new ATOM 0 HD3 LYS A 99 0.469 -7.495 -24.630 1.00 64.55 H new ATOM 0 HE2 LYS A 99 -1.471 -5.775 -23.135 1.00 32.24 H new ATOM 0 HE3 LYS A 99 -1.147 -5.323 -24.797 1.00 32.24 H new ATOM 0 HZ1 LYS A 99 -2.832 -6.805 -25.090 1.00 44.11 H new ATOM 0 HZ2 LYS A 99 -1.523 -7.881 -25.190 1.00 44.11 H new ATOM 0 HZ3 LYS A 99 -2.410 -7.755 -23.747 1.00 44.11 H new ATOM 1257 N VAL A 100 0.991 -11.913 -22.415 1.00 71.31 N ATOM 1258 CA VAL A 100 0.440 -13.264 -22.435 1.00 42.14 C ATOM 1259 C VAL A 100 1.229 -14.193 -21.520 1.00 41.21 C ATOM 1260 O VAL A 100 2.387 -13.928 -21.197 1.00 64.03 O ATOM 1261 CB VAL A 100 0.436 -13.847 -23.861 1.00 1.22 C ATOM 1262 CG1 VAL A 100 1.651 -14.737 -24.078 1.00 11.23 C ATOM 1263 CG2 VAL A 100 -0.850 -14.616 -24.118 1.00 35.34 C ATOM 0 H VAL A 100 1.919 -11.830 -22.830 1.00 71.31 H new ATOM 0 HA VAL A 100 -0.587 -13.193 -22.077 1.00 42.14 H new ATOM 0 HB VAL A 100 0.488 -13.022 -24.572 1.00 1.22 H new ATOM 0 HG11 VAL A 100 1.631 -15.140 -25.091 1.00 11.23 H new ATOM 0 HG12 VAL A 100 2.560 -14.152 -23.938 1.00 11.23 H new ATOM 0 HG13 VAL A 100 1.634 -15.558 -23.361 1.00 11.23 H new ATOM 0 HG21 VAL A 100 -0.836 -15.021 -25.130 1.00 35.34 H new ATOM 0 HG22 VAL A 100 -0.935 -15.433 -23.401 1.00 35.34 H new ATOM 0 HG23 VAL A 100 -1.703 -13.946 -24.007 1.00 35.34 H new ATOM 1273 N HIS A 101 0.594 -15.284 -21.104 1.00 51.20 N ATOM 1274 CA HIS A 101 1.238 -16.255 -20.226 1.00 13.10 C ATOM 1275 C HIS A 101 1.802 -17.423 -21.028 1.00 2.31 C ATOM 1276 O HIS A 101 1.120 -17.990 -21.881 1.00 31.30 O ATOM 1277 CB HIS A 101 0.243 -16.770 -19.185 1.00 10.55 C ATOM 1278 CG HIS A 101 -1.049 -17.244 -19.774 1.00 35.24 C ATOM 1279 ND1 HIS A 101 -2.171 -16.447 -19.869 1.00 31.44 N ATOM 1280 CD2 HIS A 101 -1.395 -18.441 -20.301 1.00 63.13 C ATOM 1281 CE1 HIS A 101 -3.150 -17.134 -20.428 1.00 22.51 C ATOM 1282 NE2 HIS A 101 -2.705 -18.348 -20.700 1.00 73.33 N ATOM 0 H HIS A 101 -0.365 -15.518 -21.360 1.00 51.20 H new ATOM 0 HA HIS A 101 2.062 -15.756 -19.716 1.00 13.10 H new ATOM 0 HB2 HIS A 101 0.702 -17.588 -18.630 1.00 10.55 H new ATOM 0 HB3 HIS A 101 0.036 -15.975 -18.468 1.00 10.55 H new ATOM 0 HD2 HIS A 101 -0.758 -19.309 -20.391 1.00 63.13 H new ATOM 0 HE1 HIS A 101 -4.145 -16.766 -20.629 1.00 22.51 H new ATOM 0 HE2 HIS A 101 -3.247 -19.094 -21.136 1.00 73.33 H new ATOM 1290 N VAL A 102 3.053 -17.777 -20.749 1.00 13.12 N ATOM 1291 CA VAL A 102 3.709 -18.877 -21.445 1.00 23.42 C ATOM 1292 C VAL A 102 3.770 -20.123 -20.567 1.00 42.12 C ATOM 1293 O VAL A 102 3.541 -21.237 -21.036 1.00 34.11 O ATOM 1294 CB VAL A 102 5.138 -18.496 -21.876 1.00 35.23 C ATOM 1295 CG1 VAL A 102 5.836 -19.685 -22.519 1.00 4.54 C ATOM 1296 CG2 VAL A 102 5.108 -17.307 -22.825 1.00 24.33 C ATOM 0 H VAL A 102 3.632 -17.318 -20.046 1.00 13.12 H new ATOM 0 HA VAL A 102 3.114 -19.090 -22.333 1.00 23.42 H new ATOM 0 HB VAL A 102 5.703 -18.210 -20.989 1.00 35.23 H new ATOM 0 HG11 VAL A 102 6.844 -19.397 -22.817 1.00 4.54 H new ATOM 0 HG12 VAL A 102 5.889 -20.506 -21.804 1.00 4.54 H new ATOM 0 HG13 VAL A 102 5.275 -20.005 -23.397 1.00 4.54 H new ATOM 0 HG21 VAL A 102 6.126 -17.051 -23.120 1.00 24.33 H new ATOM 0 HG22 VAL A 102 4.527 -17.563 -23.711 1.00 24.33 H new ATOM 0 HG23 VAL A 102 4.650 -16.454 -22.325 1.00 24.33 H new ATOM 1306 N GLY A 103 4.080 -19.926 -19.290 1.00 25.24 N ATOM 1307 CA GLY A 103 4.166 -21.043 -18.366 1.00 52.54 C ATOM 1308 C GLY A 103 5.570 -21.246 -17.832 1.00 20.12 C ATOM 1309 O GLY A 103 5.949 -20.654 -16.822 1.00 35.24 O ATOM 0 H GLY A 103 4.273 -19.013 -18.878 1.00 25.24 H new ATOM 0 HA2 GLY A 103 3.484 -20.874 -17.532 1.00 52.54 H new ATOM 0 HA3 GLY A 103 3.836 -21.952 -18.868 1.00 52.54 H new ATOM 1313 N GLY A 104 6.343 -22.090 -18.509 1.00 42.22 N ATOM 1314 CA GLY A 104 7.704 -22.357 -18.080 1.00 53.41 C ATOM 1315 C GLY A 104 7.833 -23.683 -17.357 1.00 2.24 C ATOM 1316 O GLY A 104 6.842 -24.236 -16.878 1.00 72.52 O ATOM 0 H GLY A 104 6.051 -22.594 -19.347 1.00 42.22 H new ATOM 0 HA2 GLY A 104 8.363 -22.354 -18.948 1.00 53.41 H new ATOM 0 HA3 GLY A 104 8.039 -21.554 -17.423 1.00 53.41 H new ATOM 1320 N CYS A 105 9.056 -24.193 -17.277 1.00 64.24 N ATOM 1321 CA CYS A 105 9.312 -25.465 -16.609 1.00 22.21 C ATOM 1322 C CYS A 105 8.667 -26.619 -17.370 1.00 1.34 C ATOM 1323 O CYS A 105 8.600 -27.743 -16.873 1.00 13.43 O ATOM 1324 CB CYS A 105 8.784 -25.426 -15.174 1.00 12.33 C ATOM 1325 SG CYS A 105 9.810 -26.322 -13.985 1.00 64.15 S ATOM 0 H CYS A 105 9.886 -23.746 -17.666 1.00 64.24 H new ATOM 0 HA CYS A 105 10.390 -25.626 -16.588 1.00 22.21 H new ATOM 0 HB2 CYS A 105 8.702 -24.386 -14.856 1.00 12.33 H new ATOM 0 HB3 CYS A 105 7.778 -25.844 -15.157 1.00 12.33 H new ATOM 0 HG CYS A 105 9.283 -26.229 -12.800 1.00 64.15 H new ATOM 1331 N ASP A 106 8.193 -26.332 -18.578 1.00 12.03 N ATOM 1332 CA ASP A 106 7.553 -27.346 -19.407 1.00 54.42 C ATOM 1333 C ASP A 106 6.965 -26.722 -20.670 1.00 34.02 C ATOM 1334 O ASP A 106 7.106 -27.264 -21.766 1.00 32.32 O ATOM 1335 CB ASP A 106 6.455 -28.062 -18.619 1.00 13.23 C ATOM 1336 CG ASP A 106 6.762 -29.532 -18.405 1.00 1.53 C ATOM 1337 OD1 ASP A 106 7.957 -29.876 -18.285 1.00 35.03 O ATOM 1338 OD2 ASP A 106 5.809 -30.336 -18.357 1.00 74.30 O ATOM 0 H ASP A 106 8.240 -25.406 -19.004 1.00 12.03 H new ATOM 0 HA ASP A 106 8.311 -28.072 -19.700 1.00 54.42 H new ATOM 0 HB2 ASP A 106 6.329 -27.575 -17.652 1.00 13.23 H new ATOM 0 HB3 ASP A 106 5.508 -27.965 -19.150 1.00 13.23 H new ATOM 1343 N ARG A 107 6.303 -25.581 -20.507 1.00 1.54 N ATOM 1344 CA ARG A 107 5.692 -24.885 -21.632 1.00 51.33 C ATOM 1345 C ARG A 107 6.741 -24.124 -22.438 1.00 24.42 C ATOM 1346 O ARG A 107 6.925 -24.371 -23.630 1.00 33.23 O ATOM 1347 CB ARG A 107 4.615 -23.916 -21.137 1.00 24.31 C ATOM 1348 CG ARG A 107 3.321 -23.987 -21.931 1.00 13.41 C ATOM 1349 CD ARG A 107 3.552 -23.673 -23.401 1.00 12.03 C ATOM 1350 NE ARG A 107 2.307 -23.685 -24.165 1.00 62.10 N ATOM 1351 CZ ARG A 107 1.425 -22.692 -24.151 1.00 32.43 C ATOM 1352 NH1 ARG A 107 1.650 -21.612 -23.415 1.00 44.22 N ATOM 1353 NH2 ARG A 107 0.315 -22.778 -24.873 1.00 22.14 N ATOM 0 H ARG A 107 6.176 -25.119 -19.606 1.00 1.54 H new ATOM 0 HA ARG A 107 5.232 -25.631 -22.279 1.00 51.33 H new ATOM 0 HB2 ARG A 107 4.401 -24.128 -20.090 1.00 24.31 H new ATOM 0 HB3 ARG A 107 5.004 -22.899 -21.183 1.00 24.31 H new ATOM 0 HG2 ARG A 107 2.887 -24.982 -21.834 1.00 13.41 H new ATOM 0 HG3 ARG A 107 2.599 -23.283 -21.516 1.00 13.41 H new ATOM 0 HD2 ARG A 107 4.024 -22.695 -23.493 1.00 12.03 H new ATOM 0 HD3 ARG A 107 4.244 -24.402 -23.823 1.00 12.03 H new ATOM 0 HE ARG A 107 2.104 -24.502 -24.741 1.00 62.10 H new ATOM 0 HH11 ARG A 107 2.502 -21.543 -22.858 1.00 44.22 H new ATOM 0 HH12 ARG A 107 0.971 -20.851 -23.406 1.00 44.22 H new ATOM 0 HH21 ARG A 107 0.138 -23.607 -25.440 1.00 22.14 H new ATOM 0 HH22 ARG A 107 -0.361 -22.015 -24.861 1.00 22.14 H new ATOM 1367 N THR A 108 7.430 -23.198 -21.778 1.00 70.21 N ATOM 1368 CA THR A 108 8.461 -22.402 -22.431 1.00 55.44 C ATOM 1369 C THR A 108 9.617 -23.277 -22.900 1.00 72.15 C ATOM 1370 O THR A 108 10.315 -22.940 -23.858 1.00 42.22 O ATOM 1371 CB THR A 108 9.006 -21.310 -21.493 1.00 5.24 C ATOM 1372 OG1 THR A 108 7.926 -20.670 -20.805 1.00 22.44 O ATOM 1373 CG2 THR A 108 9.802 -20.273 -22.272 1.00 33.44 C ATOM 0 H THR A 108 7.292 -22.981 -20.791 1.00 70.21 H new ATOM 0 HA THR A 108 7.994 -21.928 -23.295 1.00 55.44 H new ATOM 0 HB THR A 108 9.668 -21.784 -20.768 1.00 5.24 H new ATOM 0 HG1 THR A 108 7.971 -19.702 -20.954 1.00 22.44 H new ATOM 0 HG21 THR A 108 10.177 -19.512 -21.587 1.00 33.44 H new ATOM 0 HG22 THR A 108 10.642 -20.758 -22.770 1.00 33.44 H new ATOM 0 HG23 THR A 108 9.159 -19.805 -23.017 1.00 33.44 H new ATOM 1381 N PHE A 109 9.815 -24.402 -22.223 1.00 10.22 N ATOM 1382 CA PHE A 109 10.888 -25.326 -22.570 1.00 40.14 C ATOM 1383 C PHE A 109 10.505 -26.173 -23.781 1.00 61.42 C ATOM 1384 O PHE A 109 11.255 -26.259 -24.753 1.00 34.32 O ATOM 1385 CB PHE A 109 11.214 -26.233 -21.382 1.00 71.55 C ATOM 1386 CG PHE A 109 12.085 -25.577 -20.350 1.00 24.44 C ATOM 1387 CD1 PHE A 109 13.267 -24.954 -20.715 1.00 51.50 C ATOM 1388 CD2 PHE A 109 11.722 -25.584 -19.013 1.00 13.25 C ATOM 1389 CE1 PHE A 109 14.071 -24.350 -19.766 1.00 53.43 C ATOM 1390 CE2 PHE A 109 12.521 -24.982 -18.059 1.00 43.03 C ATOM 1391 CZ PHE A 109 13.696 -24.362 -18.437 1.00 24.24 C ATOM 0 H PHE A 109 9.246 -24.697 -21.430 1.00 10.22 H new ATOM 0 HA PHE A 109 11.771 -24.739 -22.823 1.00 40.14 H new ATOM 0 HB2 PHE A 109 10.284 -26.551 -20.912 1.00 71.55 H new ATOM 0 HB3 PHE A 109 11.711 -27.132 -21.747 1.00 71.55 H new ATOM 0 HD1 PHE A 109 13.564 -24.940 -21.753 1.00 51.50 H new ATOM 0 HD2 PHE A 109 10.803 -26.066 -18.712 1.00 13.25 H new ATOM 0 HE1 PHE A 109 14.991 -23.869 -20.064 1.00 53.43 H new ATOM 0 HE2 PHE A 109 12.227 -24.996 -17.020 1.00 43.03 H new ATOM 0 HZ PHE A 109 14.320 -23.887 -17.694 1.00 24.24 H new ATOM 1401 N GLN A 110 9.333 -26.797 -23.712 1.00 44.54 N ATOM 1402 CA GLN A 110 8.851 -27.638 -24.801 1.00 42.23 C ATOM 1403 C GLN A 110 8.529 -26.801 -26.035 1.00 3.43 C ATOM 1404 O GLN A 110 9.006 -27.087 -27.133 1.00 54.11 O ATOM 1405 CB GLN A 110 7.610 -28.417 -24.362 1.00 1.14 C ATOM 1406 CG GLN A 110 6.959 -29.209 -25.485 1.00 0.40 C ATOM 1407 CD GLN A 110 5.646 -28.603 -25.940 1.00 1.42 C ATOM 1408 OE1 GLN A 110 5.428 -28.391 -27.133 1.00 14.14 O ATOM 1409 NE2 GLN A 110 4.763 -28.320 -24.989 1.00 44.40 N ATOM 0 H GLN A 110 8.701 -26.736 -22.914 1.00 44.54 H new ATOM 0 HA GLN A 110 9.642 -28.343 -25.058 1.00 42.23 H new ATOM 0 HB2 GLN A 110 7.886 -29.101 -23.559 1.00 1.14 H new ATOM 0 HB3 GLN A 110 6.880 -27.720 -23.950 1.00 1.14 H new ATOM 0 HG2 GLN A 110 7.643 -29.262 -26.332 1.00 0.40 H new ATOM 0 HG3 GLN A 110 6.786 -30.232 -25.151 1.00 0.40 H new ATOM 0 HE21 GLN A 110 4.986 -28.513 -24.012 1.00 44.40 H new ATOM 0 HE22 GLN A 110 3.862 -27.910 -25.235 1.00 44.40 H new ATOM 1418 N ALA A 111 7.718 -25.765 -25.846 1.00 1.21 N ATOM 1419 CA ALA A 111 7.333 -24.885 -26.942 1.00 41.11 C ATOM 1420 C ALA A 111 8.558 -24.394 -27.706 1.00 43.44 C ATOM 1421 O ALA A 111 8.485 -24.116 -28.904 1.00 21.13 O ATOM 1422 CB ALA A 111 6.529 -23.707 -26.416 1.00 3.53 C ATOM 0 H ALA A 111 7.315 -25.515 -24.943 1.00 1.21 H new ATOM 0 HA ALA A 111 6.711 -25.455 -27.632 1.00 41.11 H new ATOM 0 HB1 ALA A 111 6.248 -23.058 -27.246 1.00 3.53 H new ATOM 0 HB2 ALA A 111 5.629 -24.073 -25.921 1.00 3.53 H new ATOM 0 HB3 ALA A 111 7.132 -23.144 -25.703 1.00 3.53 H new ATOM 1428 N HIS A 112 9.683 -24.287 -27.006 1.00 44.50 N ATOM 1429 CA HIS A 112 10.925 -23.827 -27.619 1.00 75.44 C ATOM 1430 C HIS A 112 11.426 -24.834 -28.650 1.00 20.22 C ATOM 1431 O HIS A 112 11.824 -24.460 -29.753 1.00 3.25 O ATOM 1432 CB HIS A 112 11.992 -23.600 -26.549 1.00 4.10 C ATOM 1433 CG HIS A 112 13.349 -23.304 -27.111 1.00 1.24 C ATOM 1434 ND1 HIS A 112 14.389 -24.210 -27.084 1.00 2.24 N ATOM 1435 CD2 HIS A 112 13.833 -22.195 -27.719 1.00 62.52 C ATOM 1436 CE1 HIS A 112 15.455 -23.670 -27.648 1.00 0.31 C ATOM 1437 NE2 HIS A 112 15.144 -22.448 -28.043 1.00 33.42 N ATOM 0 H HIS A 112 9.761 -24.512 -26.014 1.00 44.50 H new ATOM 0 HA HIS A 112 10.725 -22.883 -28.126 1.00 75.44 H new ATOM 0 HB2 HIS A 112 11.684 -22.773 -25.910 1.00 4.10 H new ATOM 0 HB3 HIS A 112 12.055 -24.485 -25.916 1.00 4.10 H new ATOM 0 HD2 HIS A 112 13.290 -21.282 -27.913 1.00 62.52 H new ATOM 0 HE1 HIS A 112 16.417 -24.146 -27.766 1.00 0.31 H new ATOM 0 HE2 HIS A 112 15.775 -21.798 -28.512 1.00 33.42 H new ATOM 1445 N GLN A 113 11.404 -26.111 -28.282 1.00 62.05 N ATOM 1446 CA GLN A 113 11.858 -27.170 -29.176 1.00 24.42 C ATOM 1447 C GLN A 113 10.722 -27.650 -30.073 1.00 1.22 C ATOM 1448 O GLN A 113 10.954 -28.319 -31.079 1.00 14.01 O ATOM 1449 CB GLN A 113 12.415 -28.344 -28.367 1.00 45.52 C ATOM 1450 CG GLN A 113 13.665 -27.996 -27.573 1.00 62.54 C ATOM 1451 CD GLN A 113 14.160 -29.154 -26.730 1.00 65.42 C ATOM 1452 OE1 GLN A 113 14.977 -29.959 -27.178 1.00 31.41 O ATOM 1453 NE2 GLN A 113 13.668 -29.244 -25.500 1.00 73.32 N ATOM 0 H GLN A 113 11.077 -26.437 -27.372 1.00 62.05 H new ATOM 0 HA GLN A 113 12.648 -26.764 -29.808 1.00 24.42 H new ATOM 0 HB2 GLN A 113 11.646 -28.699 -27.681 1.00 45.52 H new ATOM 0 HB3 GLN A 113 12.642 -29.167 -29.045 1.00 45.52 H new ATOM 0 HG2 GLN A 113 14.453 -27.688 -28.260 1.00 62.54 H new ATOM 0 HG3 GLN A 113 13.455 -27.144 -26.926 1.00 62.54 H new ATOM 0 HE21 GLN A 113 12.993 -28.555 -25.169 1.00 73.32 H new ATOM 0 HE22 GLN A 113 13.965 -30.002 -24.886 1.00 73.32 H new ATOM 1462 N ASN A 114 9.494 -27.304 -29.701 1.00 5.24 N ATOM 1463 CA ASN A 114 8.321 -27.700 -30.472 1.00 1.11 C ATOM 1464 C ASN A 114 7.939 -26.616 -31.476 1.00 2.12 C ATOM 1465 O ASN A 114 7.159 -26.856 -32.396 1.00 44.44 O ATOM 1466 CB ASN A 114 7.143 -27.985 -29.539 1.00 1.04 C ATOM 1467 CG ASN A 114 7.064 -29.445 -29.137 1.00 21.25 C ATOM 1468 OD1 ASN A 114 6.020 -30.083 -29.275 1.00 3.53 O ATOM 1469 ND2 ASN A 114 8.172 -29.982 -28.637 1.00 14.34 N ATOM 0 H ASN A 114 9.285 -26.750 -28.870 1.00 5.24 H new ATOM 0 HA ASN A 114 8.568 -28.609 -31.021 1.00 1.11 H new ATOM 0 HB2 ASN A 114 7.234 -27.369 -28.644 1.00 1.04 H new ATOM 0 HB3 ASN A 114 6.215 -27.696 -30.032 1.00 1.04 H new ATOM 0 HD21 ASN A 114 8.180 -30.961 -28.350 1.00 14.34 H new ATOM 0 HD22 ASN A 114 9.015 -29.416 -28.541 1.00 14.34 H new ATOM 1476 N GLY A 115 8.495 -25.423 -31.290 1.00 53.42 N ATOM 1477 CA GLY A 115 8.200 -24.320 -32.186 1.00 40.10 C ATOM 1478 C GLY A 115 6.975 -23.536 -31.759 1.00 10.11 C ATOM 1479 O GLY A 115 6.641 -22.514 -32.360 1.00 54.21 O ATOM 0 H GLY A 115 9.144 -25.201 -30.535 1.00 53.42 H new ATOM 0 HA2 GLY A 115 9.059 -23.651 -32.228 1.00 40.10 H new ATOM 0 HA3 GLY A 115 8.047 -24.706 -33.194 1.00 40.10 H new ATOM 1483 N LEU A 116 6.301 -24.016 -30.720 1.00 1.33 N ATOM 1484 CA LEU A 116 5.104 -23.354 -30.213 1.00 73.44 C ATOM 1485 C LEU A 116 5.461 -22.061 -29.489 1.00 72.21 C ATOM 1486 O LEU A 116 4.597 -21.221 -29.232 1.00 44.12 O ATOM 1487 CB LEU A 116 4.343 -24.287 -29.268 1.00 53.15 C ATOM 1488 CG LEU A 116 2.960 -23.809 -28.822 1.00 61.22 C ATOM 1489 CD1 LEU A 116 2.027 -24.992 -28.617 1.00 31.01 C ATOM 1490 CD2 LEU A 116 3.068 -22.983 -27.548 1.00 73.51 C ATOM 0 H LEU A 116 6.563 -24.861 -30.212 1.00 1.33 H new ATOM 0 HA LEU A 116 4.468 -23.108 -31.063 1.00 73.44 H new ATOM 0 HB2 LEU A 116 4.231 -25.254 -29.758 1.00 53.15 H new ATOM 0 HB3 LEU A 116 4.954 -24.448 -28.380 1.00 53.15 H new ATOM 0 HG LEU A 116 2.543 -23.177 -29.606 1.00 61.22 H new ATOM 0 HD11 LEU A 116 1.048 -24.633 -28.300 1.00 31.01 H new ATOM 0 HD12 LEU A 116 1.926 -25.542 -29.553 1.00 31.01 H new ATOM 0 HD13 LEU A 116 2.437 -25.650 -27.851 1.00 31.01 H new ATOM 0 HD21 LEU A 116 2.075 -22.651 -27.244 1.00 73.51 H new ATOM 0 HD22 LEU A 116 3.505 -23.591 -26.756 1.00 73.51 H new ATOM 0 HD23 LEU A 116 3.701 -22.115 -27.730 1.00 73.51 H new ATOM 1502 N LEU A 117 6.740 -21.905 -29.163 1.00 71.11 N ATOM 1503 CA LEU A 117 7.213 -20.712 -28.470 1.00 51.32 C ATOM 1504 C LEU A 117 7.560 -19.608 -29.463 1.00 43.21 C ATOM 1505 O LEU A 117 7.148 -18.460 -29.298 1.00 53.44 O ATOM 1506 CB LEU A 117 8.435 -21.047 -27.614 1.00 40.51 C ATOM 1507 CG LEU A 117 8.691 -20.126 -26.420 1.00 63.33 C ATOM 1508 CD1 LEU A 117 7.547 -20.216 -25.422 1.00 21.32 C ATOM 1509 CD2 LEU A 117 10.013 -20.474 -25.752 1.00 23.43 C ATOM 0 H LEU A 117 7.468 -22.590 -29.368 1.00 71.11 H new ATOM 0 HA LEU A 117 6.411 -20.355 -27.823 1.00 51.32 H new ATOM 0 HB2 LEU A 117 8.326 -22.067 -27.244 1.00 40.51 H new ATOM 0 HB3 LEU A 117 9.317 -21.033 -28.254 1.00 40.51 H new ATOM 0 HG LEU A 117 8.749 -19.100 -26.783 1.00 63.33 H new ATOM 0 HD11 LEU A 117 7.746 -19.554 -24.579 1.00 21.32 H new ATOM 0 HD12 LEU A 117 6.617 -19.917 -25.906 1.00 21.32 H new ATOM 0 HD13 LEU A 117 7.456 -21.242 -25.064 1.00 21.32 H new ATOM 0 HD21 LEU A 117 10.179 -19.809 -24.905 1.00 23.43 H new ATOM 0 HD22 LEU A 117 9.984 -21.506 -25.403 1.00 23.43 H new ATOM 0 HD23 LEU A 117 10.825 -20.357 -26.470 1.00 23.43 H new ATOM 1521 N GLN A 118 8.320 -19.963 -30.494 1.00 71.24 N ATOM 1522 CA GLN A 118 8.721 -19.002 -31.515 1.00 33.13 C ATOM 1523 C GLN A 118 7.502 -18.397 -32.202 1.00 74.02 C ATOM 1524 O GLN A 118 7.509 -17.228 -32.588 1.00 64.14 O ATOM 1525 CB GLN A 118 9.624 -19.673 -32.551 1.00 23.12 C ATOM 1526 CG GLN A 118 8.862 -20.458 -33.606 1.00 53.42 C ATOM 1527 CD GLN A 118 9.776 -21.106 -34.626 1.00 60.24 C ATOM 1528 OE1 GLN A 118 9.729 -22.318 -34.838 1.00 14.12 O ATOM 1529 NE2 GLN A 118 10.616 -20.300 -35.265 1.00 43.25 N ATOM 0 H GLN A 118 8.670 -20.909 -30.644 1.00 71.24 H new ATOM 0 HA GLN A 118 9.275 -18.201 -31.026 1.00 33.13 H new ATOM 0 HB2 GLN A 118 10.227 -18.910 -33.043 1.00 23.12 H new ATOM 0 HB3 GLN A 118 10.314 -20.344 -32.039 1.00 23.12 H new ATOM 0 HG2 GLN A 118 8.264 -21.228 -33.119 1.00 53.42 H new ATOM 0 HG3 GLN A 118 8.168 -19.792 -34.118 1.00 53.42 H new ATOM 0 HE21 GLN A 118 10.621 -19.301 -35.058 1.00 43.25 H new ATOM 0 HE22 GLN A 118 11.256 -20.680 -35.963 1.00 43.25 H new ATOM 1538 N LYS A 119 6.454 -19.200 -32.352 1.00 71.31 N ATOM 1539 CA LYS A 119 5.225 -18.745 -32.993 1.00 4.34 C ATOM 1540 C LYS A 119 4.452 -17.802 -32.077 1.00 13.44 C ATOM 1541 O LYS A 119 3.676 -16.966 -32.542 1.00 52.20 O ATOM 1542 CB LYS A 119 4.348 -19.942 -33.368 1.00 52.35 C ATOM 1543 CG LYS A 119 3.923 -20.782 -32.177 1.00 21.22 C ATOM 1544 CD LYS A 119 2.861 -21.798 -32.562 1.00 50.10 C ATOM 1545 CE LYS A 119 1.546 -21.122 -32.921 1.00 44.41 C ATOM 1546 NZ LYS A 119 1.101 -21.472 -34.298 1.00 54.24 N ATOM 0 H LYS A 119 6.431 -20.170 -32.038 1.00 71.31 H new ATOM 0 HA LYS A 119 5.496 -18.203 -33.899 1.00 4.34 H new ATOM 0 HB2 LYS A 119 3.458 -19.582 -33.884 1.00 52.35 H new ATOM 0 HB3 LYS A 119 4.891 -20.573 -34.072 1.00 52.35 H new ATOM 0 HG2 LYS A 119 4.791 -21.299 -31.767 1.00 21.22 H new ATOM 0 HG3 LYS A 119 3.538 -20.132 -31.391 1.00 21.22 H new ATOM 0 HD2 LYS A 119 3.211 -22.388 -33.409 1.00 50.10 H new ATOM 0 HD3 LYS A 119 2.702 -22.490 -31.735 1.00 50.10 H new ATOM 0 HE2 LYS A 119 0.779 -21.417 -32.205 1.00 44.41 H new ATOM 0 HE3 LYS A 119 1.659 -20.041 -32.840 1.00 44.41 H new ATOM 0 HZ1 LYS A 119 0.202 -20.992 -34.505 1.00 54.24 H new ATOM 0 HZ2 LYS A 119 1.822 -21.168 -34.984 1.00 54.24 H new ATOM 0 HZ3 LYS A 119 0.968 -22.501 -34.369 1.00 54.24 H new ATOM 1560 N LEU A 120 4.669 -17.940 -30.773 1.00 43.01 N ATOM 1561 CA LEU A 120 3.993 -17.099 -29.791 1.00 61.25 C ATOM 1562 C LEU A 120 4.650 -15.725 -29.708 1.00 30.11 C ATOM 1563 O LEU A 120 3.968 -14.703 -29.627 1.00 43.13 O ATOM 1564 CB LEU A 120 4.011 -17.770 -28.418 1.00 20.54 C ATOM 1565 CG LEU A 120 3.260 -17.040 -27.304 1.00 34.21 C ATOM 1566 CD1 LEU A 120 1.972 -17.772 -26.959 1.00 70.25 C ATOM 1567 CD2 LEU A 120 4.140 -16.898 -26.070 1.00 41.42 C ATOM 0 H LEU A 120 5.308 -18.626 -30.371 1.00 43.01 H new ATOM 0 HA LEU A 120 2.959 -16.968 -30.110 1.00 61.25 H new ATOM 0 HB2 LEU A 120 3.589 -18.770 -28.519 1.00 20.54 H new ATOM 0 HB3 LEU A 120 5.049 -17.892 -28.109 1.00 20.54 H new ATOM 0 HG LEU A 120 3.003 -16.042 -27.660 1.00 34.21 H new ATOM 0 HD11 LEU A 120 1.451 -17.238 -26.164 1.00 70.25 H new ATOM 0 HD12 LEU A 120 1.334 -17.821 -27.841 1.00 70.25 H new ATOM 0 HD13 LEU A 120 2.206 -18.782 -26.624 1.00 70.25 H new ATOM 0 HD21 LEU A 120 3.589 -16.376 -25.288 1.00 41.42 H new ATOM 0 HD22 LEU A 120 4.428 -17.887 -25.713 1.00 41.42 H new ATOM 0 HD23 LEU A 120 5.034 -16.329 -26.324 1.00 41.42 H new ATOM 1579 N LEU A 121 5.978 -15.708 -29.729 1.00 42.31 N ATOM 1580 CA LEU A 121 6.729 -14.458 -29.657 1.00 62.53 C ATOM 1581 C LEU A 121 6.564 -13.650 -30.941 1.00 14.05 C ATOM 1582 O LEU A 121 6.711 -12.429 -30.938 1.00 13.31 O ATOM 1583 CB LEU A 121 8.211 -14.744 -29.410 1.00 32.15 C ATOM 1584 CG LEU A 121 8.528 -15.676 -28.238 1.00 71.44 C ATOM 1585 CD1 LEU A 121 9.973 -15.507 -27.798 1.00 10.31 C ATOM 1586 CD2 LEU A 121 7.580 -15.415 -27.077 1.00 12.43 C ATOM 0 H LEU A 121 6.557 -16.545 -29.795 1.00 42.31 H new ATOM 0 HA LEU A 121 6.334 -13.873 -28.826 1.00 62.53 H new ATOM 0 HB2 LEU A 121 8.633 -15.177 -30.317 1.00 32.15 H new ATOM 0 HB3 LEU A 121 8.721 -13.795 -29.242 1.00 32.15 H new ATOM 0 HG LEU A 121 8.389 -16.705 -28.569 1.00 71.44 H new ATOM 0 HD11 LEU A 121 10.180 -16.177 -26.964 1.00 10.31 H new ATOM 0 HD12 LEU A 121 10.637 -15.746 -28.629 1.00 10.31 H new ATOM 0 HD13 LEU A 121 10.140 -14.476 -27.485 1.00 10.31 H new ATOM 0 HD21 LEU A 121 7.820 -16.087 -26.253 1.00 12.43 H new ATOM 0 HD22 LEU A 121 7.686 -14.382 -26.746 1.00 12.43 H new ATOM 0 HD23 LEU A 121 6.553 -15.589 -27.399 1.00 12.43 H new ATOM 1598 N GLN A 122 6.254 -14.340 -32.034 1.00 13.03 N ATOM 1599 CA GLN A 122 6.067 -13.685 -33.323 1.00 0.13 C ATOM 1600 C GLN A 122 4.848 -12.768 -33.296 1.00 22.45 C ATOM 1601 O GLN A 122 4.745 -11.834 -34.090 1.00 11.53 O ATOM 1602 CB GLN A 122 5.911 -14.728 -34.431 1.00 33.24 C ATOM 1603 CG GLN A 122 7.217 -15.404 -34.819 1.00 14.10 C ATOM 1604 CD GLN A 122 7.858 -14.775 -36.040 1.00 1.21 C ATOM 1605 OE1 GLN A 122 8.072 -13.564 -36.088 1.00 51.54 O ATOM 1606 NE2 GLN A 122 8.169 -15.597 -37.035 1.00 33.31 N ATOM 0 H GLN A 122 6.127 -15.352 -32.052 1.00 13.03 H new ATOM 0 HA GLN A 122 6.950 -13.079 -33.526 1.00 0.13 H new ATOM 0 HB2 GLN A 122 5.201 -15.488 -34.106 1.00 33.24 H new ATOM 0 HB3 GLN A 122 5.484 -14.249 -35.312 1.00 33.24 H new ATOM 0 HG2 GLN A 122 7.912 -15.352 -33.981 1.00 14.10 H new ATOM 0 HG3 GLN A 122 7.031 -16.460 -35.014 1.00 14.10 H new ATOM 0 HE21 GLN A 122 7.974 -16.595 -36.952 1.00 33.31 H new ATOM 0 HE22 GLN A 122 8.603 -15.231 -37.882 1.00 33.31 H new ATOM 1615 N ASP A 123 3.928 -13.043 -32.378 1.00 21.43 N ATOM 1616 CA ASP A 123 2.717 -12.243 -32.247 1.00 14.41 C ATOM 1617 C ASP A 123 1.838 -12.767 -31.115 1.00 62.53 C ATOM 1618 O ASP A 123 1.418 -12.010 -30.240 1.00 74.11 O ATOM 1619 CB ASP A 123 1.934 -12.244 -33.561 1.00 31.53 C ATOM 1620 CG ASP A 123 1.385 -10.876 -33.910 1.00 10.14 C ATOM 1621 OD1 ASP A 123 0.651 -10.301 -33.078 1.00 42.11 O ATOM 1622 OD2 ASP A 123 1.687 -10.379 -35.015 1.00 4.13 O ATOM 0 H ASP A 123 3.998 -13.814 -31.714 1.00 21.43 H new ATOM 0 HA ASP A 123 3.011 -11.221 -32.010 1.00 14.41 H new ATOM 0 HB2 ASP A 123 2.583 -12.588 -34.367 1.00 31.53 H new ATOM 0 HB3 ASP A 123 1.111 -12.955 -33.489 1.00 31.53 H new ATOM 1627 N ASP A 124 1.564 -14.067 -31.140 1.00 41.45 N ATOM 1628 CA ASP A 124 0.735 -14.694 -30.117 1.00 71.11 C ATOM 1629 C ASP A 124 0.598 -16.192 -30.372 1.00 10.11 C ATOM 1630 O ASP A 124 -0.102 -16.894 -29.641 1.00 12.53 O ATOM 1631 CB ASP A 124 -0.648 -14.041 -30.080 1.00 62.32 C ATOM 1632 CG ASP A 124 -1.144 -13.817 -28.666 1.00 72.30 C ATOM 1633 OD1 ASP A 124 -1.643 -14.784 -28.052 1.00 54.02 O ATOM 1634 OD2 ASP A 124 -1.034 -12.676 -28.172 1.00 73.23 O ATOM 0 H ASP A 124 1.904 -14.707 -31.858 1.00 41.45 H new ATOM 0 HA ASP A 124 1.221 -14.551 -29.152 1.00 71.11 H new ATOM 0 HB2 ASP A 124 -0.610 -13.086 -30.604 1.00 62.32 H new ATOM 0 HB3 ASP A 124 -1.358 -14.671 -30.616 1.00 62.32 H new TER 1639 ASP A 124