USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 775 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= -0.409 X(o=-0.41,f=-0.39) USER MOD Set 1.2: A 113 GLN : amide:sc= 0 X(o=-0.41,f=-0.39) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.17 K(o=-2.9,f=-3.7) USER MOD Set 2.2: A 84 THR OG1 : rot -138:sc= -1.76 USER MOD Set 3.1: A 44 SER OG : rot 22:sc= -0.178 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0.132 USER MOD Set 3.3: A 52 THR OG1 : rot -12:sc= 1.23 USER MOD Set 4.1: A 50 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.088) USER MOD Set 4.2: A 105 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 45 LYS NZ :NH3+ 173:sc= 0.0341 (180deg=0) USER MOD Set 5.2: A 48 CYS SG : rot 6:sc= -0.559 USER MOD Single : A 38 ASN : amide:sc= -0.795 X(o=-0.79,f=-0.45) USER MOD Single : A 41 MET CE :methyl -118:sc= -9.1! (180deg=-13.3!) 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 55 LYS NZ :NH3+ -139:sc= -5.81! (180deg=-6.76!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0558 USER MOD Single : A 66 ASN : amide:sc= -0.0737 K(o=-0.074,f=-1.8) USER MOD Single : A 72 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.024) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -155:sc= 0.476 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 89 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.42) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 65:sc= 0.0854 USER MOD Single : A 94 ASN : amide:sc= -4.35! C(o=-4.4!,f=-3.9!) USER MOD Single : A 98 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-5.8) USER MOD Single : A 108 THR OG1 : rot -126:sc= -2.21 USER MOD Single : A 112 HIS : no HD1:sc= -3.2! K(o=-3.2!,f=-1.8) USER MOD Single : A 114 ASN : amide:sc= -2.54 K(o=-2.5,f=-1.7) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 3.865 -2.258 -5.871 1.00 15.34 N ATOM 66 CA LEU A 27 4.752 -3.284 -6.406 1.00 32.21 C ATOM 67 C LEU A 27 3.984 -4.259 -7.294 1.00 4.32 C ATOM 68 O LEU A 27 4.317 -4.442 -8.464 1.00 51.05 O ATOM 69 CB LEU A 27 5.432 -4.043 -5.266 1.00 44.20 C ATOM 70 CG LEU A 27 6.090 -5.372 -5.641 1.00 73.24 C ATOM 71 CD1 LEU A 27 7.547 -5.389 -5.206 1.00 53.15 C ATOM 72 CD2 LEU A 27 5.331 -6.536 -5.020 1.00 1.34 C ATOM 0 HA LEU A 27 5.513 -2.792 -7.011 1.00 32.21 H new ATOM 0 HB2 LEU A 27 6.192 -3.396 -4.828 1.00 44.20 H new ATOM 0 HB3 LEU A 27 4.690 -4.234 -4.491 1.00 44.20 H new ATOM 0 HG LEU A 27 6.056 -5.479 -6.725 1.00 73.24 H new ATOM 0 HD11 LEU A 27 7.998 -6.342 -5.481 1.00 53.15 H new ATOM 0 HD12 LEU A 27 8.083 -4.578 -5.699 1.00 53.15 H new ATOM 0 HD13 LEU A 27 7.606 -5.259 -4.125 1.00 53.15 H new ATOM 0 HD21 LEU A 27 5.813 -7.474 -5.297 1.00 1.34 H new ATOM 0 HD22 LEU A 27 5.333 -6.434 -3.935 1.00 1.34 H new ATOM 0 HD23 LEU A 27 4.303 -6.535 -5.383 1.00 1.34 H new ATOM 84 N ARG A 28 2.955 -4.881 -6.728 1.00 31.12 N ATOM 85 CA ARG A 28 2.139 -5.836 -7.469 1.00 32.14 C ATOM 86 C ARG A 28 1.611 -5.215 -8.758 1.00 73.31 C ATOM 87 O ARG A 28 1.339 -5.919 -9.732 1.00 1.14 O ATOM 88 CB ARG A 28 0.970 -6.317 -6.606 1.00 64.44 C ATOM 89 CG ARG A 28 0.809 -7.828 -6.589 1.00 31.10 C ATOM 90 CD ARG A 28 -0.646 -8.231 -6.403 1.00 52.45 C ATOM 91 NE ARG A 28 -1.073 -8.117 -5.012 1.00 22.20 N ATOM 92 CZ ARG A 28 -2.172 -8.687 -4.531 1.00 73.11 C ATOM 93 NH1 ARG A 28 -2.952 -9.407 -5.327 1.00 23.44 N ATOM 94 NH2 ARG A 28 -2.494 -8.537 -3.253 1.00 21.41 N ATOM 0 H ARG A 28 2.667 -4.741 -5.760 1.00 31.12 H new ATOM 0 HA ARG A 28 2.767 -6.689 -7.728 1.00 32.14 H new ATOM 0 HB2 ARG A 28 1.113 -5.964 -5.585 1.00 64.44 H new ATOM 0 HB3 ARG A 28 0.048 -5.866 -6.973 1.00 64.44 H new ATOM 0 HG2 ARG A 28 1.187 -8.246 -7.522 1.00 31.10 H new ATOM 0 HG3 ARG A 28 1.410 -8.250 -5.784 1.00 31.10 H new ATOM 0 HD2 ARG A 28 -1.279 -7.602 -7.029 1.00 52.45 H new ATOM 0 HD3 ARG A 28 -0.783 -9.258 -6.741 1.00 52.45 H new ATOM 0 HE ARG A 28 -0.496 -7.569 -4.374 1.00 22.20 H new ATOM 0 HH11 ARG A 28 -2.708 -9.524 -6.311 1.00 23.44 H new ATOM 0 HH12 ARG A 28 -3.795 -9.844 -4.955 1.00 23.44 H new ATOM 0 HH21 ARG A 28 -1.897 -7.983 -2.638 1.00 21.41 H new ATOM 0 HH22 ARG A 28 -3.338 -8.975 -2.885 1.00 21.41 H new ATOM 108 N ARG A 29 1.467 -3.894 -8.757 1.00 54.44 N ATOM 109 CA ARG A 29 0.970 -3.179 -9.926 1.00 41.23 C ATOM 110 C ARG A 29 2.089 -2.946 -10.938 1.00 0.15 C ATOM 111 O ARG A 29 1.833 -2.730 -12.123 1.00 21.42 O ATOM 112 CB ARG A 29 0.358 -1.840 -9.510 1.00 22.00 C ATOM 113 CG ARG A 29 0.206 -0.856 -10.658 1.00 45.51 C ATOM 114 CD ARG A 29 1.427 0.042 -10.787 1.00 50.50 C ATOM 115 NE ARG A 29 1.714 0.380 -12.178 1.00 62.42 N ATOM 116 CZ ARG A 29 2.452 1.420 -12.546 1.00 0.35 C ATOM 117 NH1 ARG A 29 2.976 2.222 -11.628 1.00 1.13 N ATOM 118 NH2 ARG A 29 2.669 1.662 -13.832 1.00 4.35 N ATOM 0 H ARG A 29 1.687 -3.297 -7.960 1.00 54.44 H new ATOM 0 HA ARG A 29 0.201 -3.792 -10.395 1.00 41.23 H new ATOM 0 HB2 ARG A 29 -0.621 -2.020 -9.065 1.00 22.00 H new ATOM 0 HB3 ARG A 29 0.981 -1.390 -8.737 1.00 22.00 H new ATOM 0 HG2 ARG A 29 0.054 -1.402 -11.589 1.00 45.51 H new ATOM 0 HG3 ARG A 29 -0.682 -0.244 -10.499 1.00 45.51 H new ATOM 0 HD2 ARG A 29 1.265 0.957 -10.218 1.00 50.50 H new ATOM 0 HD3 ARG A 29 2.292 -0.457 -10.350 1.00 50.50 H new ATOM 0 HE ARG A 29 1.325 -0.217 -12.908 1.00 62.42 H new ATOM 0 HH11 ARG A 29 2.812 2.040 -10.638 1.00 1.13 H new ATOM 0 HH12 ARG A 29 3.543 3.021 -11.912 1.00 1.13 H new ATOM 0 HH21 ARG A 29 2.268 1.048 -14.541 1.00 4.35 H new ATOM 0 HH22 ARG A 29 3.237 2.462 -14.112 1.00 4.35 H new ATOM 132 N ARG A 30 3.329 -2.990 -10.462 1.00 0.32 N ATOM 133 CA ARG A 30 4.487 -2.782 -11.323 1.00 55.03 C ATOM 134 C ARG A 30 4.894 -4.083 -12.007 1.00 63.04 C ATOM 135 O ARG A 30 5.254 -4.090 -13.186 1.00 35.33 O ATOM 136 CB ARG A 30 5.659 -2.230 -10.512 1.00 43.44 C ATOM 137 CG ARG A 30 6.588 -1.334 -11.316 1.00 54.52 C ATOM 138 CD ARG A 30 7.960 -1.964 -11.490 1.00 72.55 C ATOM 139 NE ARG A 30 8.974 -0.978 -11.854 1.00 33.33 N ATOM 140 CZ ARG A 30 10.259 -1.273 -12.019 1.00 52.44 C ATOM 141 NH1 ARG A 30 10.683 -2.518 -11.856 1.00 42.24 N ATOM 142 NH2 ARG A 30 11.121 -0.320 -12.350 1.00 64.43 N ATOM 0 H ARG A 30 3.558 -3.168 -9.484 1.00 0.32 H new ATOM 0 HA ARG A 30 4.214 -2.058 -12.091 1.00 55.03 H new ATOM 0 HB2 ARG A 30 5.270 -1.667 -9.664 1.00 43.44 H new ATOM 0 HB3 ARG A 30 6.233 -3.063 -10.106 1.00 43.44 H new ATOM 0 HG2 ARG A 30 6.150 -1.139 -12.295 1.00 54.52 H new ATOM 0 HG3 ARG A 30 6.690 -0.371 -10.815 1.00 54.52 H new ATOM 0 HD2 ARG A 30 8.252 -2.459 -10.563 1.00 72.55 H new ATOM 0 HD3 ARG A 30 7.910 -2.734 -12.260 1.00 72.55 H new ATOM 0 HE ARG A 30 8.680 -0.011 -11.989 1.00 33.33 H new ATOM 0 HH11 ARG A 30 10.022 -3.253 -11.603 1.00 42.24 H new ATOM 0 HH12 ARG A 30 11.670 -2.741 -11.983 1.00 42.24 H new ATOM 0 HH21 ARG A 30 10.797 0.639 -12.478 1.00 64.43 H new ATOM 0 HH22 ARG A 30 12.108 -0.546 -12.477 1.00 64.43 H new ATOM 156 N LEU A 31 4.838 -5.181 -11.262 1.00 40.10 N ATOM 157 CA LEU A 31 5.202 -6.488 -11.797 1.00 24.40 C ATOM 158 C LEU A 31 4.303 -6.868 -12.969 1.00 42.23 C ATOM 159 O LEU A 31 4.737 -7.541 -13.904 1.00 32.02 O ATOM 160 CB LEU A 31 5.109 -7.553 -10.702 1.00 34.00 C ATOM 161 CG LEU A 31 5.802 -7.220 -9.381 1.00 22.31 C ATOM 162 CD1 LEU A 31 5.626 -8.356 -8.385 1.00 52.10 C ATOM 163 CD2 LEU A 31 7.279 -6.934 -9.611 1.00 73.41 C ATOM 0 H LEU A 31 4.544 -5.192 -10.285 1.00 40.10 H new ATOM 0 HA LEU A 31 6.230 -6.432 -12.156 1.00 24.40 H new ATOM 0 HB2 LEU A 31 4.056 -7.745 -10.498 1.00 34.00 H new ATOM 0 HB3 LEU A 31 5.533 -8.480 -11.088 1.00 34.00 H new ATOM 0 HG LEU A 31 5.339 -6.325 -8.965 1.00 22.31 H new ATOM 0 HD11 LEU A 31 6.126 -8.101 -7.450 1.00 52.10 H new ATOM 0 HD12 LEU A 31 4.564 -8.514 -8.197 1.00 52.10 H new ATOM 0 HD13 LEU A 31 6.062 -9.268 -8.793 1.00 52.10 H new ATOM 0 HD21 LEU A 31 7.756 -6.699 -8.660 1.00 73.41 H new ATOM 0 HD22 LEU A 31 7.755 -7.811 -10.049 1.00 73.41 H new ATOM 0 HD23 LEU A 31 7.384 -6.087 -10.289 1.00 73.41 H new ATOM 175 N ARG A 32 3.050 -6.429 -12.913 1.00 4.41 N ATOM 176 CA ARG A 32 2.090 -6.721 -13.971 1.00 2.41 C ATOM 177 C ARG A 32 2.193 -5.696 -15.096 1.00 45.03 C ATOM 178 O ARG A 32 1.966 -6.017 -16.264 1.00 5.13 O ATOM 179 CB ARG A 32 0.668 -6.735 -13.408 1.00 35.22 C ATOM 180 CG ARG A 32 -0.095 -8.015 -13.711 1.00 42.43 C ATOM 181 CD ARG A 32 -0.966 -8.435 -12.538 1.00 24.22 C ATOM 182 NE ARG A 32 -2.251 -7.742 -12.535 1.00 1.14 N ATOM 183 CZ ARG A 32 -3.267 -8.081 -11.748 1.00 73.25 C ATOM 184 NH1 ARG A 32 -3.148 -9.099 -10.908 1.00 23.12 N ATOM 185 NH2 ARG A 32 -4.405 -7.401 -11.803 1.00 74.30 N ATOM 0 H ARG A 32 2.676 -5.870 -12.146 1.00 4.41 H new ATOM 0 HA ARG A 32 2.323 -7.705 -14.377 1.00 2.41 H new ATOM 0 HB2 ARG A 32 0.713 -6.596 -12.328 1.00 35.22 H new ATOM 0 HB3 ARG A 32 0.116 -5.888 -13.816 1.00 35.22 H new ATOM 0 HG2 ARG A 32 -0.717 -7.869 -14.594 1.00 42.43 H new ATOM 0 HG3 ARG A 32 0.609 -8.813 -13.947 1.00 42.43 H new ATOM 0 HD2 ARG A 32 -1.135 -9.511 -12.579 1.00 24.22 H new ATOM 0 HD3 ARG A 32 -0.441 -8.230 -11.605 1.00 24.22 H new ATOM 0 HE ARG A 32 -2.376 -6.955 -13.172 1.00 1.14 H new ATOM 0 HH11 ARG A 32 -2.275 -9.625 -10.864 1.00 23.12 H new ATOM 0 HH12 ARG A 32 -3.929 -9.357 -10.305 1.00 23.12 H new ATOM 0 HH21 ARG A 32 -4.500 -6.618 -12.449 1.00 74.30 H new ATOM 0 HH22 ARG A 32 -5.184 -7.662 -11.199 1.00 74.30 H new ATOM 199 N ASP A 33 2.535 -4.464 -14.739 1.00 0.34 N ATOM 200 CA ASP A 33 2.669 -3.392 -15.718 1.00 20.01 C ATOM 201 C ASP A 33 3.966 -3.535 -16.508 1.00 31.45 C ATOM 202 O ASP A 33 4.053 -3.116 -17.663 1.00 32.52 O ATOM 203 CB ASP A 33 2.628 -2.030 -15.024 1.00 3.31 C ATOM 204 CG ASP A 33 2.415 -0.889 -16.000 1.00 41.23 C ATOM 205 OD1 ASP A 33 3.347 -0.589 -16.775 1.00 43.21 O ATOM 206 OD2 ASP A 33 1.316 -0.297 -15.989 1.00 72.24 O ATOM 0 H ASP A 33 2.725 -4.182 -13.777 1.00 0.34 H new ATOM 0 HA ASP A 33 1.832 -3.463 -16.413 1.00 20.01 H new ATOM 0 HB2 ASP A 33 1.827 -2.026 -14.285 1.00 3.31 H new ATOM 0 HB3 ASP A 33 3.561 -1.873 -14.484 1.00 3.31 H new ATOM 211 N LEU A 34 4.974 -4.130 -15.877 1.00 55.43 N ATOM 212 CA LEU A 34 6.268 -4.328 -16.520 1.00 74.02 C ATOM 213 C LEU A 34 6.122 -5.152 -17.795 1.00 24.12 C ATOM 214 O LEU A 34 6.904 -5.004 -18.735 1.00 2.12 O ATOM 215 CB LEU A 34 7.236 -5.021 -15.559 1.00 51.35 C ATOM 216 CG LEU A 34 8.618 -4.381 -15.421 1.00 71.42 C ATOM 217 CD1 LEU A 34 9.464 -5.150 -14.419 1.00 4.15 C ATOM 218 CD2 LEU A 34 9.314 -4.319 -16.773 1.00 40.03 C ATOM 0 H LEU A 34 4.919 -4.483 -14.922 1.00 55.43 H new ATOM 0 HA LEU A 34 6.668 -3.349 -16.786 1.00 74.02 H new ATOM 0 HB2 LEU A 34 6.774 -5.056 -14.572 1.00 51.35 H new ATOM 0 HB3 LEU A 34 7.366 -6.052 -15.887 1.00 51.35 H new ATOM 0 HG LEU A 34 8.491 -3.363 -15.053 1.00 71.42 H new ATOM 0 HD11 LEU A 34 10.444 -4.680 -14.334 1.00 4.15 H new ATOM 0 HD12 LEU A 34 8.972 -5.143 -13.446 1.00 4.15 H new ATOM 0 HD13 LEU A 34 9.583 -6.179 -14.758 1.00 4.15 H new ATOM 0 HD21 LEU A 34 10.296 -3.861 -16.656 1.00 40.03 H new ATOM 0 HD22 LEU A 34 9.429 -5.328 -17.170 1.00 40.03 H new ATOM 0 HD23 LEU A 34 8.716 -3.724 -17.463 1.00 40.03 H new ATOM 230 N ILE A 35 5.116 -6.019 -17.821 1.00 74.23 N ATOM 231 CA ILE A 35 4.865 -6.864 -18.982 1.00 42.31 C ATOM 232 C ILE A 35 4.259 -6.060 -20.127 1.00 54.53 C ATOM 233 O ILE A 35 4.364 -6.443 -21.292 1.00 42.21 O ATOM 234 CB ILE A 35 3.924 -8.033 -18.636 1.00 51.30 C ATOM 235 CG1 ILE A 35 4.518 -8.878 -17.509 1.00 25.33 C ATOM 236 CG2 ILE A 35 3.666 -8.888 -19.868 1.00 40.11 C ATOM 237 CD1 ILE A 35 3.717 -8.826 -16.227 1.00 70.13 C ATOM 0 H ILE A 35 4.461 -6.155 -17.051 1.00 74.23 H new ATOM 0 HA ILE A 35 5.829 -7.265 -19.294 1.00 42.31 H new ATOM 0 HB ILE A 35 2.972 -7.625 -18.295 1.00 51.30 H new ATOM 0 HG12 ILE A 35 4.589 -9.914 -17.841 1.00 25.33 H new ATOM 0 HG13 ILE A 35 5.534 -8.537 -17.307 1.00 25.33 H new ATOM 0 HG21 ILE A 35 2.999 -9.710 -19.607 1.00 40.11 H new ATOM 0 HG22 ILE A 35 3.204 -8.278 -20.644 1.00 40.11 H new ATOM 0 HG23 ILE A 35 4.610 -9.289 -20.236 1.00 40.11 H new ATOM 0 HD11 ILE A 35 4.197 -9.449 -15.472 1.00 70.13 H new ATOM 0 HD12 ILE A 35 3.667 -7.797 -15.871 1.00 70.13 H new ATOM 0 HD13 ILE A 35 2.708 -9.195 -16.413 1.00 70.13 H new ATOM 249 N GLU A 36 3.626 -4.941 -19.787 1.00 15.13 N ATOM 250 CA GLU A 36 3.003 -4.082 -20.788 1.00 0.33 C ATOM 251 C GLU A 36 4.009 -3.079 -21.345 1.00 20.20 C ATOM 252 O GLU A 36 3.921 -2.674 -22.503 1.00 10.43 O ATOM 253 CB GLU A 36 1.808 -3.341 -20.183 1.00 42.25 C ATOM 254 CG GLU A 36 0.668 -4.258 -19.772 1.00 52.52 C ATOM 255 CD GLU A 36 -0.448 -3.517 -19.062 1.00 54.13 C ATOM 256 OE1 GLU A 36 -0.242 -2.339 -18.699 1.00 71.35 O ATOM 257 OE2 GLU A 36 -1.528 -4.113 -18.869 1.00 33.21 O ATOM 0 H GLU A 36 3.531 -4.609 -18.827 1.00 15.13 H new ATOM 0 HA GLU A 36 2.654 -4.713 -21.606 1.00 0.33 H new ATOM 0 HB2 GLU A 36 2.143 -2.779 -19.311 1.00 42.25 H new ATOM 0 HB3 GLU A 36 1.437 -2.616 -20.907 1.00 42.25 H new ATOM 0 HG2 GLU A 36 0.266 -4.751 -20.657 1.00 52.52 H new ATOM 0 HG3 GLU A 36 1.053 -5.040 -19.118 1.00 52.52 H new ATOM 264 N GLY A 37 4.965 -2.682 -20.510 1.00 52.12 N ATOM 265 CA GLY A 37 5.974 -1.729 -20.936 1.00 75.50 C ATOM 266 C GLY A 37 7.019 -2.356 -21.837 1.00 72.52 C ATOM 267 O GLY A 37 7.783 -1.652 -22.495 1.00 43.40 O ATOM 0 H GLY A 37 5.059 -3.003 -19.546 1.00 52.12 H new ATOM 0 HA2 GLY A 37 5.492 -0.905 -21.462 1.00 75.50 H new ATOM 0 HA3 GLY A 37 6.462 -1.305 -20.059 1.00 75.50 H new ATOM 271 N ASN A 38 7.054 -3.684 -21.866 1.00 32.54 N ATOM 272 CA ASN A 38 8.016 -4.406 -22.691 1.00 70.10 C ATOM 273 C ASN A 38 7.397 -5.679 -23.260 1.00 74.44 C ATOM 274 O ASN A 38 6.671 -6.392 -22.567 1.00 23.43 O ATOM 275 CB ASN A 38 9.261 -4.753 -21.873 1.00 65.13 C ATOM 276 CG ASN A 38 9.841 -3.545 -21.162 1.00 25.23 C ATOM 277 OD1 ASN A 38 10.766 -2.903 -21.659 1.00 24.25 O ATOM 278 ND2 ASN A 38 9.298 -3.232 -19.992 1.00 52.40 N ATOM 0 H ASN A 38 6.427 -4.282 -21.328 1.00 32.54 H new ATOM 0 HA ASN A 38 8.303 -3.760 -23.521 1.00 70.10 H new ATOM 0 HB2 ASN A 38 9.008 -5.517 -21.138 1.00 65.13 H new ATOM 0 HB3 ASN A 38 10.017 -5.182 -22.531 1.00 65.13 H new ATOM 0 HD21 ASN A 38 9.646 -2.430 -19.466 1.00 52.40 H new ATOM 0 HD22 ASN A 38 8.532 -3.793 -19.619 1.00 52.40 H new ATOM 285 N ARG A 39 7.690 -5.958 -24.526 1.00 14.44 N ATOM 286 CA ARG A 39 7.162 -7.145 -25.189 1.00 14.34 C ATOM 287 C ARG A 39 7.323 -8.377 -24.305 1.00 64.42 C ATOM 288 O ARG A 39 6.350 -9.069 -24.001 1.00 51.13 O ATOM 289 CB ARG A 39 7.871 -7.365 -26.526 1.00 64.23 C ATOM 290 CG ARG A 39 7.557 -8.707 -27.168 1.00 32.43 C ATOM 291 CD ARG A 39 6.066 -8.868 -27.420 1.00 23.33 C ATOM 292 NE ARG A 39 5.578 -7.936 -28.431 1.00 72.34 N ATOM 293 CZ ARG A 39 5.849 -8.048 -29.727 1.00 24.44 C ATOM 294 NH1 ARG A 39 6.602 -9.048 -30.166 1.00 21.04 N ATOM 295 NH2 ARG A 39 5.368 -7.160 -30.587 1.00 2.22 N ATOM 0 H ARG A 39 8.290 -5.379 -25.113 1.00 14.44 H new ATOM 0 HA ARG A 39 6.099 -6.988 -25.372 1.00 14.34 H new ATOM 0 HB2 ARG A 39 7.588 -6.568 -27.213 1.00 64.23 H new ATOM 0 HB3 ARG A 39 8.948 -7.287 -26.374 1.00 64.23 H new ATOM 0 HG2 ARG A 39 8.098 -8.797 -28.110 1.00 32.43 H new ATOM 0 HG3 ARG A 39 7.907 -9.512 -26.521 1.00 32.43 H new ATOM 0 HD2 ARG A 39 5.861 -9.890 -27.740 1.00 23.33 H new ATOM 0 HD3 ARG A 39 5.522 -8.710 -26.489 1.00 23.33 H new ATOM 0 HE ARG A 39 4.997 -7.155 -28.126 1.00 72.34 H new ATOM 0 HH11 ARG A 39 6.974 -9.733 -29.508 1.00 21.04 H new ATOM 0 HH12 ARG A 39 6.809 -9.132 -31.161 1.00 21.04 H new ATOM 0 HH21 ARG A 39 4.789 -6.389 -30.254 1.00 2.22 H new ATOM 0 HH22 ARG A 39 5.577 -7.248 -31.581 1.00 2.22 H new ATOM 309 N VAL A 40 8.558 -8.650 -23.896 1.00 45.53 N ATOM 310 CA VAL A 40 8.848 -9.799 -23.048 1.00 23.14 C ATOM 311 C VAL A 40 9.215 -9.359 -21.634 1.00 62.51 C ATOM 312 O VAL A 40 9.998 -8.429 -21.446 1.00 71.15 O ATOM 313 CB VAL A 40 9.996 -10.648 -23.624 1.00 60.14 C ATOM 314 CG1 VAL A 40 10.518 -11.622 -22.579 1.00 51.21 C ATOM 315 CG2 VAL A 40 9.538 -11.387 -24.871 1.00 53.24 C ATOM 0 H VAL A 40 9.375 -8.090 -24.139 1.00 45.53 H new ATOM 0 HA VAL A 40 7.942 -10.404 -23.014 1.00 23.14 H new ATOM 0 HB VAL A 40 10.812 -9.981 -23.903 1.00 60.14 H new ATOM 0 HG11 VAL A 40 11.329 -12.213 -23.005 1.00 51.21 H new ATOM 0 HG12 VAL A 40 10.888 -11.067 -21.717 1.00 51.21 H new ATOM 0 HG13 VAL A 40 9.712 -12.285 -22.265 1.00 51.21 H new ATOM 0 HG21 VAL A 40 10.362 -11.982 -25.265 1.00 53.24 H new ATOM 0 HG22 VAL A 40 8.705 -12.043 -24.620 1.00 53.24 H new ATOM 0 HG23 VAL A 40 9.218 -10.667 -25.624 1.00 53.24 H new ATOM 325 N MET A 41 8.644 -10.037 -20.643 1.00 40.02 N ATOM 326 CA MET A 41 8.913 -9.718 -19.246 1.00 60.03 C ATOM 327 C MET A 41 9.292 -10.973 -18.465 1.00 13.41 C ATOM 328 O MET A 41 8.557 -11.960 -18.466 1.00 64.54 O ATOM 329 CB MET A 41 7.691 -9.056 -18.608 1.00 3.35 C ATOM 330 CG MET A 41 7.993 -7.708 -17.972 1.00 14.00 C ATOM 331 SD MET A 41 9.360 -7.784 -16.800 1.00 1.41 S ATOM 332 CE MET A 41 10.699 -7.133 -17.798 1.00 15.23 C ATOM 0 H MET A 41 7.993 -10.810 -20.782 1.00 40.02 H new ATOM 0 HA MET A 41 9.752 -9.023 -19.213 1.00 60.03 H new ATOM 0 HB2 MET A 41 6.920 -8.926 -19.368 1.00 3.35 H new ATOM 0 HB3 MET A 41 7.281 -9.723 -17.849 1.00 3.35 H new ATOM 0 HG2 MET A 41 8.230 -6.987 -18.754 1.00 14.00 H new ATOM 0 HG3 MET A 41 7.102 -7.344 -17.461 1.00 14.00 H new ATOM 0 HE1 MET A 41 11.470 -7.894 -17.913 1.00 15.23 H new ATOM 0 HE2 MET A 41 10.318 -6.852 -18.780 1.00 15.23 H new ATOM 0 HE3 MET A 41 11.124 -6.257 -17.309 1.00 15.23 H new ATOM 342 N ILE A 42 10.442 -10.925 -17.800 1.00 72.32 N ATOM 343 CA ILE A 42 10.916 -12.058 -17.015 1.00 30.14 C ATOM 344 C ILE A 42 11.603 -11.590 -15.736 1.00 63.51 C ATOM 345 O ILE A 42 12.163 -10.496 -15.685 1.00 4.43 O ATOM 346 CB ILE A 42 11.895 -12.931 -17.821 1.00 62.24 C ATOM 347 CG1 ILE A 42 13.248 -12.228 -17.956 1.00 54.11 C ATOM 348 CG2 ILE A 42 11.317 -13.247 -19.193 1.00 41.43 C ATOM 349 CD1 ILE A 42 14.231 -12.972 -18.832 1.00 32.11 C ATOM 0 H ILE A 42 11.062 -10.115 -17.789 1.00 72.32 H new ATOM 0 HA ILE A 42 10.040 -12.653 -16.758 1.00 30.14 H new ATOM 0 HB ILE A 42 12.046 -13.869 -17.287 1.00 62.24 H new ATOM 0 HG12 ILE A 42 13.091 -11.231 -18.366 1.00 54.11 H new ATOM 0 HG13 ILE A 42 13.682 -12.100 -16.964 1.00 54.11 H new ATOM 0 HG21 ILE A 42 12.021 -13.865 -19.751 1.00 41.43 H new ATOM 0 HG22 ILE A 42 10.376 -13.784 -19.076 1.00 41.43 H new ATOM 0 HG23 ILE A 42 11.140 -12.319 -19.736 1.00 41.43 H new ATOM 0 HD11 ILE A 42 15.167 -12.416 -18.882 1.00 32.11 H new ATOM 0 HD12 ILE A 42 14.418 -13.960 -18.411 1.00 32.11 H new ATOM 0 HD13 ILE A 42 13.817 -13.077 -19.835 1.00 32.11 H new ATOM 361 N PHE A 43 11.558 -12.429 -14.706 1.00 51.23 N ATOM 362 CA PHE A 43 12.177 -12.103 -13.428 1.00 5.34 C ATOM 363 C PHE A 43 13.082 -13.237 -12.956 1.00 61.22 C ATOM 364 O PHE A 43 12.814 -14.410 -13.217 1.00 33.22 O ATOM 365 CB PHE A 43 11.103 -11.821 -12.374 1.00 65.21 C ATOM 366 CG PHE A 43 10.233 -10.643 -12.705 1.00 51.00 C ATOM 367 CD1 PHE A 43 9.345 -10.698 -13.767 1.00 42.13 C ATOM 368 CD2 PHE A 43 10.302 -9.480 -11.954 1.00 65.23 C ATOM 369 CE1 PHE A 43 8.544 -9.614 -14.076 1.00 34.12 C ATOM 370 CE2 PHE A 43 9.504 -8.394 -12.258 1.00 31.22 C ATOM 371 CZ PHE A 43 8.622 -8.462 -13.319 1.00 1.20 C ATOM 0 H PHE A 43 11.099 -13.340 -14.732 1.00 51.23 H new ATOM 0 HA PHE A 43 12.786 -11.209 -13.566 1.00 5.34 H new ATOM 0 HB2 PHE A 43 10.476 -12.705 -12.260 1.00 65.21 H new ATOM 0 HB3 PHE A 43 11.586 -11.647 -11.412 1.00 65.21 H new ATOM 0 HD1 PHE A 43 9.278 -11.598 -14.360 1.00 42.13 H new ATOM 0 HD2 PHE A 43 10.988 -9.422 -11.122 1.00 65.23 H new ATOM 0 HE1 PHE A 43 7.858 -9.668 -14.909 1.00 34.12 H new ATOM 0 HE2 PHE A 43 9.570 -7.493 -11.667 1.00 31.22 H new ATOM 0 HZ PHE A 43 7.995 -7.616 -13.556 1.00 1.20 H new ATOM 381 N SER A 44 14.157 -12.879 -12.260 1.00 62.44 N ATOM 382 CA SER A 44 15.105 -13.865 -11.756 1.00 61.43 C ATOM 383 C SER A 44 15.696 -13.419 -10.423 1.00 3.22 C ATOM 384 O SER A 44 15.197 -12.489 -9.790 1.00 1.43 O ATOM 385 CB SER A 44 16.225 -14.093 -12.773 1.00 62.53 C ATOM 386 OG SER A 44 16.402 -15.475 -13.036 1.00 54.32 O ATOM 0 H SER A 44 14.393 -11.913 -12.033 1.00 62.44 H new ATOM 0 HA SER A 44 14.569 -14.801 -11.600 1.00 61.43 H new ATOM 0 HB2 SER A 44 15.990 -13.570 -13.700 1.00 62.53 H new ATOM 0 HB3 SER A 44 17.155 -13.669 -12.395 1.00 62.53 H new ATOM 0 HG SER A 44 15.581 -15.959 -12.807 1.00 54.32 H new ATOM 392 N LYS A 45 16.764 -14.089 -10.002 1.00 74.30 N ATOM 393 CA LYS A 45 17.426 -13.762 -8.745 1.00 63.53 C ATOM 394 C LYS A 45 18.942 -13.851 -8.890 1.00 4.51 C ATOM 395 O LYS A 45 19.461 -14.021 -9.993 1.00 52.53 O ATOM 396 CB LYS A 45 16.953 -14.705 -7.636 1.00 45.10 C ATOM 397 CG LYS A 45 15.721 -14.209 -6.901 1.00 13.25 C ATOM 398 CD LYS A 45 15.761 -14.584 -5.428 1.00 71.11 C ATOM 399 CE LYS A 45 14.538 -15.394 -5.026 1.00 1.32 C ATOM 400 NZ LYS A 45 14.811 -16.262 -3.847 1.00 53.31 N ATOM 0 H LYS A 45 17.189 -14.862 -10.514 1.00 74.30 H new ATOM 0 HA LYS A 45 17.163 -12.738 -8.480 1.00 63.53 H new ATOM 0 HB2 LYS A 45 16.739 -15.682 -8.068 1.00 45.10 H new ATOM 0 HB3 LYS A 45 17.762 -14.844 -6.919 1.00 45.10 H new ATOM 0 HG2 LYS A 45 15.649 -13.126 -7.000 1.00 13.25 H new ATOM 0 HG3 LYS A 45 14.827 -14.631 -7.361 1.00 13.25 H new ATOM 0 HD2 LYS A 45 16.664 -15.159 -5.222 1.00 71.11 H new ATOM 0 HD3 LYS A 45 15.815 -13.679 -4.822 1.00 71.11 H new ATOM 0 HE2 LYS A 45 13.714 -14.718 -4.797 1.00 1.32 H new ATOM 0 HE3 LYS A 45 14.219 -16.012 -5.866 1.00 1.32 H new ATOM 0 HZ1 LYS A 45 13.926 -16.707 -3.531 1.00 53.31 H new ATOM 0 HZ2 LYS A 45 15.495 -17.000 -4.110 1.00 53.31 H new ATOM 0 HZ3 LYS A 45 15.203 -15.686 -3.075 1.00 53.31 H new ATOM 414 N SER A 46 19.647 -13.736 -7.768 1.00 40.34 N ATOM 415 CA SER A 46 21.103 -13.800 -7.771 1.00 64.33 C ATOM 416 C SER A 46 21.583 -15.248 -7.825 1.00 51.23 C ATOM 417 O SER A 46 22.420 -15.606 -8.654 1.00 32.34 O ATOM 418 CB SER A 46 21.669 -13.110 -6.528 1.00 73.45 C ATOM 419 OG SER A 46 21.639 -11.701 -6.671 1.00 1.41 O ATOM 0 H SER A 46 19.233 -13.598 -6.846 1.00 40.34 H new ATOM 0 HA SER A 46 21.462 -13.282 -8.660 1.00 64.33 H new ATOM 0 HB2 SER A 46 21.092 -13.402 -5.651 1.00 73.45 H new ATOM 0 HB3 SER A 46 22.694 -13.440 -6.359 1.00 73.45 H new ATOM 0 HG SER A 46 22.004 -11.282 -5.864 1.00 1.41 H new ATOM 425 N TYR A 47 21.047 -16.075 -6.935 1.00 34.53 N ATOM 426 CA TYR A 47 21.421 -17.483 -6.878 1.00 32.54 C ATOM 427 C TYR A 47 20.185 -18.377 -6.923 1.00 72.34 C ATOM 428 O TYR A 47 19.849 -19.042 -5.943 1.00 2.33 O ATOM 429 CB TYR A 47 22.223 -17.769 -5.607 1.00 41.30 C ATOM 430 CG TYR A 47 21.542 -17.296 -4.343 1.00 23.14 C ATOM 431 CD1 TYR A 47 21.490 -15.946 -4.021 1.00 50.35 C ATOM 432 CD2 TYR A 47 20.953 -18.200 -3.467 1.00 71.54 C ATOM 433 CE1 TYR A 47 20.869 -15.510 -2.867 1.00 4.13 C ATOM 434 CE2 TYR A 47 20.329 -17.774 -2.311 1.00 40.32 C ATOM 435 CZ TYR A 47 20.291 -16.428 -2.015 1.00 14.43 C ATOM 436 OH TYR A 47 19.671 -15.998 -0.863 1.00 42.42 O ATOM 0 H TYR A 47 20.352 -15.795 -6.243 1.00 34.53 H new ATOM 0 HA TYR A 47 22.040 -17.703 -7.748 1.00 32.54 H new ATOM 0 HB2 TYR A 47 22.402 -18.842 -5.534 1.00 41.30 H new ATOM 0 HB3 TYR A 47 23.198 -17.288 -5.686 1.00 41.30 H new ATOM 0 HD1 TYR A 47 21.943 -15.224 -4.685 1.00 50.35 H new ATOM 0 HD2 TYR A 47 20.984 -19.255 -3.695 1.00 71.54 H new ATOM 0 HE1 TYR A 47 20.836 -14.456 -2.633 1.00 4.13 H new ATOM 0 HE2 TYR A 47 19.874 -18.490 -1.643 1.00 40.32 H new ATOM 0 HH TYR A 47 19.315 -16.770 -0.375 1.00 42.42 H new ATOM 446 N CYS A 48 19.513 -18.389 -8.070 1.00 45.31 N ATOM 447 CA CYS A 48 18.314 -19.201 -8.245 1.00 4.41 C ATOM 448 C CYS A 48 18.262 -19.795 -9.649 1.00 34.13 C ATOM 449 O CYS A 48 17.861 -19.140 -10.612 1.00 34.22 O ATOM 450 CB CYS A 48 17.063 -18.362 -7.985 1.00 42.41 C ATOM 451 SG CYS A 48 16.900 -17.789 -6.278 1.00 74.44 S ATOM 0 H CYS A 48 19.778 -17.846 -8.892 1.00 45.31 H new ATOM 0 HA CYS A 48 18.349 -20.019 -7.525 1.00 4.41 H new ATOM 0 HB2 CYS A 48 17.075 -17.497 -8.648 1.00 42.41 H new ATOM 0 HB3 CYS A 48 16.183 -18.951 -8.245 1.00 42.41 H new ATOM 0 HG CYS A 48 17.967 -18.110 -5.609 1.00 74.44 H new ATOM 457 N PRO A 49 18.676 -21.065 -9.771 1.00 11.22 N ATOM 458 CA PRO A 49 18.687 -21.774 -11.054 1.00 35.33 C ATOM 459 C PRO A 49 17.280 -22.083 -11.556 1.00 50.31 C ATOM 460 O PRO A 49 16.305 -21.968 -10.813 1.00 33.12 O ATOM 461 CB PRO A 49 19.436 -23.070 -10.735 1.00 62.23 C ATOM 462 CG PRO A 49 19.231 -23.278 -9.274 1.00 62.12 C ATOM 463 CD PRO A 49 19.166 -21.905 -8.665 1.00 64.35 C ATOM 0 HA PRO A 49 19.148 -21.182 -11.844 1.00 35.33 H new ATOM 0 HB2 PRO A 49 19.043 -23.907 -11.313 1.00 62.23 H new ATOM 0 HB3 PRO A 49 20.495 -22.985 -10.978 1.00 62.23 H new ATOM 0 HG2 PRO A 49 18.312 -23.833 -9.084 1.00 62.12 H new ATOM 0 HG3 PRO A 49 20.048 -23.857 -8.844 1.00 62.12 H new ATOM 0 HD2 PRO A 49 18.492 -21.876 -7.809 1.00 64.35 H new ATOM 0 HD3 PRO A 49 20.143 -21.575 -8.312 1.00 64.35 H new ATOM 471 N HIS A 50 17.182 -22.476 -12.822 1.00 44.32 N ATOM 472 CA HIS A 50 15.894 -22.801 -13.424 1.00 64.13 C ATOM 473 C HIS A 50 15.162 -21.535 -13.859 1.00 71.41 C ATOM 474 O HIS A 50 14.696 -21.435 -14.994 1.00 12.35 O ATOM 475 CB HIS A 50 15.032 -23.591 -12.439 1.00 51.12 C ATOM 476 CG HIS A 50 14.210 -24.661 -13.088 1.00 32.14 C ATOM 477 ND1 HIS A 50 13.877 -25.841 -12.456 1.00 31.14 N ATOM 478 CD2 HIS A 50 13.650 -24.724 -14.318 1.00 32.45 C ATOM 479 CE1 HIS A 50 13.150 -26.585 -13.271 1.00 14.34 C ATOM 480 NE2 HIS A 50 12.997 -25.929 -14.407 1.00 71.31 N ATOM 0 H HIS A 50 17.979 -22.577 -13.451 1.00 44.32 H new ATOM 0 HA HIS A 50 16.077 -23.414 -14.307 1.00 64.13 H new ATOM 0 HB2 HIS A 50 15.677 -24.046 -11.687 1.00 51.12 H new ATOM 0 HB3 HIS A 50 14.369 -22.902 -11.915 1.00 51.12 H new ATOM 0 HD2 HIS A 50 13.706 -23.968 -15.087 1.00 32.45 H new ATOM 0 HE1 HIS A 50 12.749 -27.562 -13.046 1.00 14.34 H new ATOM 0 HE2 HIS A 50 12.478 -26.263 -15.219 1.00 71.31 H new ATOM 488 N SER A 51 15.063 -20.572 -12.948 1.00 63.11 N ATOM 489 CA SER A 51 14.383 -19.315 -13.236 1.00 1.30 C ATOM 490 C SER A 51 15.269 -18.397 -14.072 1.00 41.33 C ATOM 491 O SER A 51 14.778 -17.542 -14.811 1.00 72.21 O ATOM 492 CB SER A 51 13.989 -18.615 -11.934 1.00 2.13 C ATOM 493 OG SER A 51 13.915 -17.210 -12.112 1.00 64.52 O ATOM 0 H SER A 51 15.445 -20.638 -12.005 1.00 63.11 H new ATOM 0 HA SER A 51 13.482 -19.540 -13.807 1.00 1.30 H new ATOM 0 HB2 SER A 51 13.025 -18.993 -11.592 1.00 2.13 H new ATOM 0 HB3 SER A 51 14.717 -18.848 -11.157 1.00 2.13 H new ATOM 0 HG SER A 51 13.660 -16.786 -11.266 1.00 64.52 H new ATOM 499 N THR A 52 16.581 -18.579 -13.951 1.00 31.10 N ATOM 500 CA THR A 52 17.537 -17.768 -14.693 1.00 11.21 C ATOM 501 C THR A 52 17.763 -18.328 -16.093 1.00 53.13 C ATOM 502 O THR A 52 17.909 -17.575 -17.057 1.00 31.41 O ATOM 503 CB THR A 52 18.890 -17.685 -13.962 1.00 41.25 C ATOM 504 OG1 THR A 52 18.759 -16.891 -12.777 1.00 54.35 O ATOM 505 CG2 THR A 52 19.957 -17.085 -14.865 1.00 64.41 C ATOM 0 H THR A 52 17.005 -19.282 -13.345 1.00 31.10 H new ATOM 0 HA THR A 52 17.111 -16.768 -14.769 1.00 11.21 H new ATOM 0 HB THR A 52 19.193 -18.696 -13.690 1.00 41.25 H new ATOM 0 HG1 THR A 52 17.902 -16.415 -12.795 1.00 54.35 H new ATOM 0 HG21 THR A 52 20.904 -17.036 -14.327 1.00 64.41 H new ATOM 0 HG22 THR A 52 20.075 -17.707 -15.752 1.00 64.41 H new ATOM 0 HG23 THR A 52 19.658 -16.080 -15.164 1.00 64.41 H new ATOM 513 N ARG A 53 17.789 -19.652 -16.199 1.00 72.51 N ATOM 514 CA ARG A 53 17.997 -20.312 -17.482 1.00 41.04 C ATOM 515 C ARG A 53 16.933 -19.890 -18.490 1.00 75.15 C ATOM 516 O ARG A 53 17.238 -19.598 -19.646 1.00 0.52 O ATOM 517 CB ARG A 53 17.975 -21.832 -17.307 1.00 63.14 C ATOM 518 CG ARG A 53 17.268 -22.565 -18.436 1.00 2.12 C ATOM 519 CD ARG A 53 18.008 -22.404 -19.754 1.00 51.52 C ATOM 520 NE ARG A 53 18.265 -23.690 -20.398 1.00 43.20 N ATOM 521 CZ ARG A 53 18.565 -23.820 -21.685 1.00 74.13 C ATOM 522 NH1 ARG A 53 18.644 -22.749 -22.462 1.00 65.25 N ATOM 523 NH2 ARG A 53 18.786 -25.025 -22.197 1.00 43.44 N ATOM 0 H ARG A 53 17.669 -20.289 -15.412 1.00 72.51 H new ATOM 0 HA ARG A 53 18.973 -20.011 -17.863 1.00 41.04 H new ATOM 0 HB2 ARG A 53 19.000 -22.196 -17.235 1.00 63.14 H new ATOM 0 HB3 ARG A 53 17.484 -22.074 -16.364 1.00 63.14 H new ATOM 0 HG2 ARG A 53 17.188 -23.624 -18.190 1.00 2.12 H new ATOM 0 HG3 ARG A 53 16.252 -22.184 -18.539 1.00 2.12 H new ATOM 0 HD2 ARG A 53 17.423 -21.774 -20.424 1.00 51.52 H new ATOM 0 HD3 ARG A 53 18.954 -21.891 -19.579 1.00 51.52 H new ATOM 0 HE ARG A 53 18.211 -24.534 -19.828 1.00 43.20 H new ATOM 0 HH11 ARG A 53 18.474 -21.822 -22.072 1.00 65.25 H new ATOM 0 HH12 ARG A 53 18.875 -22.852 -23.450 1.00 65.25 H new ATOM 0 HH21 ARG A 53 18.725 -25.851 -21.602 1.00 43.44 H new ATOM 0 HH22 ARG A 53 19.016 -25.125 -23.186 1.00 43.44 H new ATOM 537 N VAL A 54 15.680 -19.860 -18.043 1.00 64.53 N ATOM 538 CA VAL A 54 14.570 -19.474 -18.905 1.00 63.15 C ATOM 539 C VAL A 54 14.850 -18.145 -19.598 1.00 55.40 C ATOM 540 O VAL A 54 14.286 -17.851 -20.653 1.00 32.10 O ATOM 541 CB VAL A 54 13.256 -19.360 -18.110 1.00 52.13 C ATOM 542 CG1 VAL A 54 13.218 -18.058 -17.326 1.00 71.14 C ATOM 543 CG2 VAL A 54 12.059 -19.466 -19.044 1.00 23.23 C ATOM 0 H VAL A 54 15.410 -20.099 -17.089 1.00 64.53 H new ATOM 0 HA VAL A 54 14.464 -20.257 -19.656 1.00 63.15 H new ATOM 0 HB VAL A 54 13.208 -20.185 -17.399 1.00 52.13 H new ATOM 0 HG11 VAL A 54 12.282 -17.995 -16.771 1.00 71.14 H new ATOM 0 HG12 VAL A 54 14.056 -18.028 -16.630 1.00 71.14 H new ATOM 0 HG13 VAL A 54 13.288 -17.216 -18.015 1.00 71.14 H new ATOM 0 HG21 VAL A 54 11.138 -19.384 -18.466 1.00 23.23 H new ATOM 0 HG22 VAL A 54 12.099 -18.663 -19.779 1.00 23.23 H new ATOM 0 HG23 VAL A 54 12.081 -20.428 -19.556 1.00 23.23 H new ATOM 553 N LYS A 55 15.724 -17.344 -18.998 1.00 40.52 N ATOM 554 CA LYS A 55 16.081 -16.045 -19.558 1.00 21.43 C ATOM 555 C LYS A 55 16.837 -16.208 -20.872 1.00 51.01 C ATOM 556 O LYS A 55 16.424 -15.679 -21.904 1.00 21.40 O ATOM 557 CB LYS A 55 16.933 -15.255 -18.561 1.00 75.24 C ATOM 558 CG LYS A 55 16.334 -15.188 -17.167 1.00 51.12 C ATOM 559 CD LYS A 55 17.313 -14.598 -16.168 1.00 12.33 C ATOM 560 CE LYS A 55 17.530 -13.112 -16.410 1.00 54.41 C ATOM 561 NZ LYS A 55 18.845 -12.840 -17.053 1.00 74.35 N ATOM 0 H LYS A 55 16.198 -17.571 -18.124 1.00 40.52 H new ATOM 0 HA LYS A 55 15.160 -15.496 -19.756 1.00 21.43 H new ATOM 0 HB2 LYS A 55 17.922 -15.710 -18.501 1.00 75.24 H new ATOM 0 HB3 LYS A 55 17.071 -14.241 -18.937 1.00 75.24 H new ATOM 0 HG2 LYS A 55 15.427 -14.584 -17.189 1.00 51.12 H new ATOM 0 HG3 LYS A 55 16.044 -16.188 -16.846 1.00 51.12 H new ATOM 0 HD2 LYS A 55 16.939 -14.752 -15.156 1.00 12.33 H new ATOM 0 HD3 LYS A 55 18.266 -15.122 -16.238 1.00 12.33 H new ATOM 0 HE2 LYS A 55 16.730 -12.727 -17.042 1.00 54.41 H new ATOM 0 HE3 LYS A 55 17.472 -12.578 -15.462 1.00 54.41 H new ATOM 0 HZ1 LYS A 55 19.275 -11.997 -16.621 1.00 74.35 H new ATOM 0 HZ2 LYS A 55 19.473 -13.657 -16.917 1.00 74.35 H new ATOM 0 HZ3 LYS A 55 18.706 -12.675 -18.070 1.00 74.35 H new ATOM 575 N GLU A 56 17.943 -16.944 -20.827 1.00 52.21 N ATOM 576 CA GLU A 56 18.755 -17.176 -22.015 1.00 51.41 C ATOM 577 C GLU A 56 17.976 -17.970 -23.059 1.00 72.13 C ATOM 578 O GLU A 56 18.319 -17.966 -24.242 1.00 62.44 O ATOM 579 CB GLU A 56 20.039 -17.920 -21.646 1.00 1.45 C ATOM 580 CG GLU A 56 20.870 -17.212 -20.589 1.00 63.33 C ATOM 581 CD GLU A 56 22.361 -17.383 -20.808 1.00 22.44 C ATOM 582 OE1 GLU A 56 22.860 -18.515 -20.632 1.00 72.11 O ATOM 583 OE2 GLU A 56 23.029 -16.387 -21.154 1.00 72.53 O ATOM 0 H GLU A 56 18.297 -17.390 -19.981 1.00 52.21 H new ATOM 0 HA GLU A 56 19.016 -16.207 -22.440 1.00 51.41 H new ATOM 0 HB2 GLU A 56 19.781 -18.916 -21.286 1.00 1.45 H new ATOM 0 HB3 GLU A 56 20.643 -18.052 -22.543 1.00 1.45 H new ATOM 0 HG2 GLU A 56 20.626 -16.150 -20.591 1.00 63.33 H new ATOM 0 HG3 GLU A 56 20.604 -17.598 -19.605 1.00 63.33 H new ATOM 590 N LEU A 57 16.926 -18.651 -22.614 1.00 33.02 N ATOM 591 CA LEU A 57 16.098 -19.451 -23.509 1.00 35.34 C ATOM 592 C LEU A 57 15.370 -18.566 -24.516 1.00 4.01 C ATOM 593 O LEU A 57 15.011 -19.014 -25.605 1.00 51.44 O ATOM 594 CB LEU A 57 15.083 -20.267 -22.703 1.00 52.54 C ATOM 595 CG LEU A 57 13.815 -20.684 -23.449 1.00 71.13 C ATOM 596 CD1 LEU A 57 14.159 -21.588 -24.623 1.00 1.52 C ATOM 597 CD2 LEU A 57 12.846 -21.379 -22.504 1.00 55.13 C ATOM 0 H LEU A 57 16.628 -18.665 -21.639 1.00 33.02 H new ATOM 0 HA LEU A 57 16.751 -20.131 -24.057 1.00 35.34 H new ATOM 0 HB2 LEU A 57 15.578 -21.167 -22.337 1.00 52.54 H new ATOM 0 HB3 LEU A 57 14.792 -19.686 -21.828 1.00 52.54 H new ATOM 0 HG LEU A 57 13.333 -19.787 -23.838 1.00 71.13 H new ATOM 0 HD11 LEU A 57 13.244 -21.875 -25.142 1.00 1.52 H new ATOM 0 HD12 LEU A 57 14.815 -21.056 -25.312 1.00 1.52 H new ATOM 0 HD13 LEU A 57 14.664 -22.482 -24.258 1.00 1.52 H new ATOM 0 HD21 LEU A 57 11.949 -21.669 -23.051 1.00 55.13 H new ATOM 0 HD22 LEU A 57 13.319 -22.267 -22.086 1.00 55.13 H new ATOM 0 HD23 LEU A 57 12.574 -20.699 -21.697 1.00 55.13 H new ATOM 609 N PHE A 58 15.160 -17.307 -24.146 1.00 31.14 N ATOM 610 CA PHE A 58 14.477 -16.358 -25.017 1.00 71.03 C ATOM 611 C PHE A 58 15.438 -15.784 -26.054 1.00 64.13 C ATOM 612 O PHE A 58 15.057 -15.537 -27.198 1.00 44.15 O ATOM 613 CB PHE A 58 13.864 -15.225 -24.191 1.00 60.54 C ATOM 614 CG PHE A 58 12.411 -15.432 -23.876 1.00 33.53 C ATOM 615 CD1 PHE A 58 11.996 -16.534 -23.146 1.00 24.44 C ATOM 616 CD2 PHE A 58 11.458 -14.524 -24.310 1.00 74.44 C ATOM 617 CE1 PHE A 58 10.660 -16.728 -22.853 1.00 13.43 C ATOM 618 CE2 PHE A 58 10.120 -14.713 -24.020 1.00 73.13 C ATOM 619 CZ PHE A 58 9.720 -15.816 -23.292 1.00 74.12 C ATOM 0 H PHE A 58 15.453 -16.920 -23.249 1.00 31.14 H new ATOM 0 HA PHE A 58 13.681 -16.889 -25.539 1.00 71.03 H new ATOM 0 HB2 PHE A 58 14.419 -15.125 -23.258 1.00 60.54 H new ATOM 0 HB3 PHE A 58 13.980 -14.287 -24.733 1.00 60.54 H new ATOM 0 HD1 PHE A 58 12.727 -17.251 -22.801 1.00 24.44 H new ATOM 0 HD2 PHE A 58 11.764 -13.660 -24.881 1.00 74.44 H new ATOM 0 HE1 PHE A 58 10.351 -17.591 -22.282 1.00 13.43 H new ATOM 0 HE2 PHE A 58 9.387 -13.998 -24.363 1.00 73.13 H new ATOM 0 HZ PHE A 58 8.674 -15.965 -23.066 1.00 74.12 H new ATOM 629 N SER A 59 16.685 -15.575 -25.646 1.00 22.14 N ATOM 630 CA SER A 59 17.700 -15.026 -26.537 1.00 32.15 C ATOM 631 C SER A 59 17.807 -15.853 -27.814 1.00 35.14 C ATOM 632 O SER A 59 17.827 -15.311 -28.918 1.00 72.01 O ATOM 633 CB SER A 59 19.057 -14.979 -25.831 1.00 44.03 C ATOM 634 OG SER A 59 19.975 -14.169 -26.546 1.00 31.24 O ATOM 0 H SER A 59 17.017 -15.778 -24.703 1.00 22.14 H new ATOM 0 HA SER A 59 17.402 -14.012 -26.805 1.00 32.15 H new ATOM 0 HB2 SER A 59 18.932 -14.588 -24.821 1.00 44.03 H new ATOM 0 HB3 SER A 59 19.456 -15.989 -25.735 1.00 44.03 H new ATOM 0 HG SER A 59 20.834 -14.153 -26.074 1.00 31.24 H new ATOM 640 N SER A 60 17.872 -17.172 -27.654 1.00 3.44 N ATOM 641 CA SER A 60 17.980 -18.075 -28.793 1.00 62.42 C ATOM 642 C SER A 60 16.643 -18.199 -29.517 1.00 10.33 C ATOM 643 O SER A 60 16.541 -18.867 -30.546 1.00 71.34 O ATOM 644 CB SER A 60 18.454 -19.455 -28.333 1.00 12.10 C ATOM 645 OG SER A 60 19.309 -20.049 -29.295 1.00 54.43 O ATOM 0 H SER A 60 17.852 -17.638 -26.747 1.00 3.44 H new ATOM 0 HA SER A 60 18.711 -17.660 -29.486 1.00 62.42 H new ATOM 0 HB2 SER A 60 18.979 -19.364 -27.382 1.00 12.10 H new ATOM 0 HB3 SER A 60 17.592 -20.100 -28.161 1.00 12.10 H new ATOM 0 HG SER A 60 19.599 -20.929 -28.976 1.00 54.43 H new ATOM 651 N LEU A 61 15.620 -17.551 -28.971 1.00 20.25 N ATOM 652 CA LEU A 61 14.287 -17.587 -29.563 1.00 23.41 C ATOM 653 C LEU A 61 14.087 -16.420 -30.523 1.00 53.55 C ATOM 654 O LEU A 61 12.966 -16.137 -30.948 1.00 23.41 O ATOM 655 CB LEU A 61 13.220 -17.551 -28.468 1.00 32.14 C ATOM 656 CG LEU A 61 11.929 -18.314 -28.763 1.00 54.14 C ATOM 657 CD1 LEU A 61 12.238 -19.721 -29.248 1.00 24.11 C ATOM 658 CD2 LEU A 61 11.039 -18.356 -27.529 1.00 73.03 C ATOM 0 H LEU A 61 15.688 -16.994 -28.119 1.00 20.25 H new ATOM 0 HA LEU A 61 14.190 -18.516 -30.125 1.00 23.41 H new ATOM 0 HB2 LEU A 61 13.654 -17.952 -27.552 1.00 32.14 H new ATOM 0 HB3 LEU A 61 12.966 -16.510 -28.271 1.00 32.14 H new ATOM 0 HG LEU A 61 11.394 -17.789 -29.554 1.00 54.14 H new ATOM 0 HD11 LEU A 61 11.306 -20.248 -29.453 1.00 24.11 H new ATOM 0 HD12 LEU A 61 12.833 -19.669 -30.160 1.00 24.11 H new ATOM 0 HD13 LEU A 61 12.796 -20.256 -28.480 1.00 24.11 H new ATOM 0 HD21 LEU A 61 10.125 -18.903 -27.758 1.00 73.03 H new ATOM 0 HD22 LEU A 61 11.567 -18.856 -26.717 1.00 73.03 H new ATOM 0 HD23 LEU A 61 10.787 -17.339 -27.227 1.00 73.03 H new ATOM 670 N GLY A 62 15.181 -15.745 -30.864 1.00 14.22 N ATOM 671 CA GLY A 62 15.103 -14.617 -31.774 1.00 60.22 C ATOM 672 C GLY A 62 14.297 -13.467 -31.205 1.00 0.13 C ATOM 673 O GLY A 62 13.860 -12.581 -31.940 1.00 62.31 O ATOM 0 H GLY A 62 16.119 -15.959 -30.526 1.00 14.22 H new ATOM 0 HA2 GLY A 62 16.110 -14.271 -32.006 1.00 60.22 H new ATOM 0 HA3 GLY A 62 14.654 -14.942 -32.713 1.00 60.22 H new ATOM 677 N VAL A 63 14.097 -13.480 -29.891 1.00 21.10 N ATOM 678 CA VAL A 63 13.338 -12.430 -29.223 1.00 2.55 C ATOM 679 C VAL A 63 14.161 -11.774 -28.120 1.00 44.41 C ATOM 680 O VAL A 63 15.110 -12.363 -27.603 1.00 31.32 O ATOM 681 CB VAL A 63 12.034 -12.980 -28.616 1.00 52.15 C ATOM 682 CG1 VAL A 63 12.330 -13.825 -27.386 1.00 44.44 C ATOM 683 CG2 VAL A 63 11.084 -11.841 -28.274 1.00 32.32 C ATOM 0 H VAL A 63 14.450 -14.206 -29.268 1.00 21.10 H new ATOM 0 HA VAL A 63 13.092 -11.686 -29.981 1.00 2.55 H new ATOM 0 HB VAL A 63 11.551 -13.617 -29.356 1.00 52.15 H new ATOM 0 HG11 VAL A 63 11.396 -14.204 -26.972 1.00 44.44 H new ATOM 0 HG12 VAL A 63 12.970 -14.662 -27.665 1.00 44.44 H new ATOM 0 HG13 VAL A 63 12.837 -13.215 -26.639 1.00 44.44 H new ATOM 0 HG21 VAL A 63 10.168 -12.248 -27.846 1.00 32.32 H new ATOM 0 HG22 VAL A 63 11.558 -11.176 -27.552 1.00 32.32 H new ATOM 0 HG23 VAL A 63 10.845 -11.282 -29.179 1.00 32.32 H new ATOM 693 N VAL A 64 13.791 -10.547 -27.763 1.00 31.45 N ATOM 694 CA VAL A 64 14.493 -9.810 -26.719 1.00 63.12 C ATOM 695 C VAL A 64 13.719 -9.843 -25.407 1.00 42.51 C ATOM 696 O VAL A 64 12.498 -9.999 -25.398 1.00 5.22 O ATOM 697 CB VAL A 64 14.726 -8.344 -27.129 1.00 1.31 C ATOM 698 CG1 VAL A 64 15.692 -7.667 -26.167 1.00 72.40 C ATOM 699 CG2 VAL A 64 15.243 -8.265 -28.558 1.00 12.12 C ATOM 0 H VAL A 64 13.009 -10.043 -28.182 1.00 31.45 H new ATOM 0 HA VAL A 64 15.457 -10.299 -26.580 1.00 63.12 H new ATOM 0 HB VAL A 64 13.773 -7.817 -27.082 1.00 1.31 H new ATOM 0 HG11 VAL A 64 15.844 -6.632 -26.473 1.00 72.40 H new ATOM 0 HG12 VAL A 64 15.278 -7.690 -25.159 1.00 72.40 H new ATOM 0 HG13 VAL A 64 16.646 -8.193 -26.179 1.00 72.40 H new ATOM 0 HG21 VAL A 64 15.402 -7.222 -28.830 1.00 12.12 H new ATOM 0 HG22 VAL A 64 16.185 -8.807 -28.635 1.00 12.12 H new ATOM 0 HG23 VAL A 64 14.513 -8.709 -29.234 1.00 12.12 H new ATOM 709 N TYR A 65 14.438 -9.695 -24.299 1.00 70.43 N ATOM 710 CA TYR A 65 13.819 -9.710 -22.979 1.00 13.12 C ATOM 711 C TYR A 65 14.573 -8.801 -22.013 1.00 65.42 C ATOM 712 O TYR A 65 15.699 -8.388 -22.284 1.00 63.31 O ATOM 713 CB TYR A 65 13.777 -11.137 -22.428 1.00 4.41 C ATOM 714 CG TYR A 65 15.124 -11.825 -22.428 1.00 35.31 C ATOM 715 CD1 TYR A 65 15.611 -12.438 -23.576 1.00 23.21 C ATOM 716 CD2 TYR A 65 15.906 -11.864 -21.281 1.00 14.23 C ATOM 717 CE1 TYR A 65 16.841 -13.069 -23.580 1.00 52.51 C ATOM 718 CE2 TYR A 65 17.137 -12.490 -21.277 1.00 72.41 C ATOM 719 CZ TYR A 65 17.600 -13.092 -22.429 1.00 12.04 C ATOM 720 OH TYR A 65 18.824 -13.720 -22.428 1.00 1.53 O ATOM 0 H TYR A 65 15.449 -9.563 -24.289 1.00 70.43 H new ATOM 0 HA TYR A 65 12.800 -9.337 -23.079 1.00 13.12 H new ATOM 0 HB2 TYR A 65 13.390 -11.113 -21.409 1.00 4.41 H new ATOM 0 HB3 TYR A 65 13.077 -11.726 -23.021 1.00 4.41 H new ATOM 0 HD1 TYR A 65 15.019 -12.421 -24.479 1.00 23.21 H new ATOM 0 HD2 TYR A 65 15.545 -11.397 -20.377 1.00 14.23 H new ATOM 0 HE1 TYR A 65 17.206 -13.542 -24.480 1.00 52.51 H new ATOM 0 HE2 TYR A 65 17.734 -12.508 -20.377 1.00 72.41 H new ATOM 0 HH TYR A 65 19.230 -13.644 -21.539 1.00 1.53 H new ATOM 730 N ASN A 66 13.943 -8.496 -20.884 1.00 30.25 N ATOM 731 CA ASN A 66 14.553 -7.637 -19.876 1.00 62.03 C ATOM 732 C ASN A 66 15.146 -8.466 -18.740 1.00 72.13 C ATOM 733 O ASN A 66 14.642 -9.543 -18.417 1.00 41.53 O ATOM 734 CB ASN A 66 13.521 -6.654 -19.321 1.00 21.04 C ATOM 735 CG ASN A 66 14.058 -5.238 -19.236 1.00 74.23 C ATOM 736 OD1 ASN A 66 15.265 -5.024 -19.135 1.00 24.40 O ATOM 737 ND2 ASN A 66 13.158 -4.261 -19.277 1.00 74.32 N ATOM 0 H ASN A 66 13.010 -8.831 -20.644 1.00 30.25 H new ATOM 0 HA ASN A 66 15.358 -7.077 -20.351 1.00 62.03 H new ATOM 0 HB2 ASN A 66 12.634 -6.666 -19.955 1.00 21.04 H new ATOM 0 HB3 ASN A 66 13.208 -6.981 -18.329 1.00 21.04 H new ATOM 0 HD21 ASN A 66 13.459 -3.288 -19.224 1.00 74.32 H new ATOM 0 HD22 ASN A 66 12.166 -4.484 -19.361 1.00 74.32 H new ATOM 744 N ILE A 67 16.215 -7.957 -18.139 1.00 61.12 N ATOM 745 CA ILE A 67 16.874 -8.650 -17.039 1.00 4.02 C ATOM 746 C ILE A 67 16.564 -7.981 -15.704 1.00 74.20 C ATOM 747 O ILE A 67 16.981 -6.850 -15.452 1.00 0.33 O ATOM 748 CB ILE A 67 18.401 -8.694 -17.235 1.00 42.23 C ATOM 749 CG1 ILE A 67 18.742 -8.962 -18.703 1.00 35.52 C ATOM 750 CG2 ILE A 67 19.021 -9.755 -16.340 1.00 32.42 C ATOM 751 CD1 ILE A 67 18.105 -10.222 -19.249 1.00 53.35 C ATOM 0 H ILE A 67 16.644 -7.067 -18.395 1.00 61.12 H new ATOM 0 HA ILE A 67 16.487 -9.669 -17.031 1.00 4.02 H new ATOM 0 HB ILE A 67 18.815 -7.725 -16.956 1.00 42.23 H new ATOM 0 HG12 ILE A 67 18.420 -8.112 -19.304 1.00 35.52 H new ATOM 0 HG13 ILE A 67 19.824 -9.036 -18.809 1.00 35.52 H new ATOM 0 HG21 ILE A 67 20.100 -9.773 -16.491 1.00 32.42 H new ATOM 0 HG22 ILE A 67 18.804 -9.523 -15.297 1.00 32.42 H new ATOM 0 HG23 ILE A 67 18.604 -10.731 -16.589 1.00 32.42 H new ATOM 0 HD11 ILE A 67 18.389 -10.350 -20.294 1.00 53.35 H new ATOM 0 HD12 ILE A 67 18.446 -11.082 -18.672 1.00 53.35 H new ATOM 0 HD13 ILE A 67 17.020 -10.143 -19.175 1.00 53.35 H new ATOM 763 N LEU A 68 15.831 -8.689 -14.851 1.00 52.25 N ATOM 764 CA LEU A 68 15.466 -8.165 -13.540 1.00 34.54 C ATOM 765 C LEU A 68 15.701 -9.209 -12.452 1.00 15.42 C ATOM 766 O LEU A 68 15.231 -10.342 -12.554 1.00 42.53 O ATOM 767 CB LEU A 68 14.001 -7.726 -13.534 1.00 74.40 C ATOM 768 CG LEU A 68 13.444 -7.225 -14.866 1.00 61.14 C ATOM 769 CD1 LEU A 68 11.933 -7.072 -14.791 1.00 62.44 C ATOM 770 CD2 LEU A 68 14.097 -5.906 -15.254 1.00 2.12 C ATOM 0 H LEU A 68 15.478 -9.626 -15.044 1.00 52.25 H new ATOM 0 HA LEU A 68 16.098 -7.302 -13.332 1.00 34.54 H new ATOM 0 HB2 LEU A 68 13.392 -8.567 -13.202 1.00 74.40 H new ATOM 0 HB3 LEU A 68 13.883 -6.935 -12.793 1.00 74.40 H new ATOM 0 HG LEU A 68 13.675 -7.963 -15.634 1.00 61.14 H new ATOM 0 HD11 LEU A 68 11.556 -6.714 -15.749 1.00 62.44 H new ATOM 0 HD12 LEU A 68 11.481 -8.036 -14.560 1.00 62.44 H new ATOM 0 HD13 LEU A 68 11.678 -6.355 -14.010 1.00 62.44 H new ATOM 0 HD21 LEU A 68 13.689 -5.564 -16.205 1.00 2.12 H new ATOM 0 HD22 LEU A 68 13.897 -5.161 -14.484 1.00 2.12 H new ATOM 0 HD23 LEU A 68 15.173 -6.048 -15.351 1.00 2.12 H new ATOM 782 N GLU A 69 16.428 -8.817 -11.411 1.00 5.11 N ATOM 783 CA GLU A 69 16.723 -9.719 -10.304 1.00 3.10 C ATOM 784 C GLU A 69 16.079 -9.224 -9.012 1.00 24.33 C ATOM 785 O GLU A 69 16.569 -8.287 -8.379 1.00 75.24 O ATOM 786 CB GLU A 69 18.237 -9.851 -10.114 1.00 14.52 C ATOM 787 CG GLU A 69 18.998 -10.046 -11.413 1.00 51.23 C ATOM 788 CD GLU A 69 19.326 -8.733 -12.100 1.00 51.01 C ATOM 789 OE1 GLU A 69 20.210 -8.007 -11.600 1.00 44.42 O ATOM 790 OE2 GLU A 69 18.698 -8.433 -13.137 1.00 22.43 O ATOM 0 H GLU A 69 16.823 -7.882 -11.311 1.00 5.11 H new ATOM 0 HA GLU A 69 16.307 -10.697 -10.545 1.00 3.10 H new ATOM 0 HB2 GLU A 69 18.611 -8.958 -9.614 1.00 14.52 H new ATOM 0 HB3 GLU A 69 18.440 -10.694 -9.454 1.00 14.52 H new ATOM 0 HG2 GLU A 69 19.923 -10.587 -11.211 1.00 51.23 H new ATOM 0 HG3 GLU A 69 18.407 -10.666 -12.087 1.00 51.23 H new ATOM 797 N LEU A 70 14.978 -9.860 -8.627 1.00 10.35 N ATOM 798 CA LEU A 70 14.265 -9.485 -7.410 1.00 33.04 C ATOM 799 C LEU A 70 15.161 -9.635 -6.185 1.00 22.54 C ATOM 800 O LEU A 70 14.883 -9.069 -5.127 1.00 33.55 O ATOM 801 CB LEU A 70 13.010 -10.344 -7.246 1.00 21.41 C ATOM 802 CG LEU A 70 13.164 -11.828 -7.582 1.00 51.44 C ATOM 803 CD1 LEU A 70 12.701 -12.690 -6.418 1.00 71.01 C ATOM 804 CD2 LEU A 70 12.387 -12.172 -8.845 1.00 32.14 C ATOM 0 H LEU A 70 14.560 -10.637 -9.139 1.00 10.35 H new ATOM 0 HA LEU A 70 13.973 -8.438 -7.497 1.00 33.04 H new ATOM 0 HB2 LEU A 70 12.668 -10.259 -6.214 1.00 21.41 H new ATOM 0 HB3 LEU A 70 12.225 -9.929 -7.877 1.00 21.41 H new ATOM 0 HG LEU A 70 14.220 -12.033 -7.761 1.00 51.44 H new ATOM 0 HD11 LEU A 70 12.818 -13.743 -6.676 1.00 71.01 H new ATOM 0 HD12 LEU A 70 13.301 -12.463 -5.536 1.00 71.01 H new ATOM 0 HD13 LEU A 70 11.652 -12.483 -6.206 1.00 71.01 H new ATOM 0 HD21 LEU A 70 12.508 -13.232 -9.069 1.00 32.14 H new ATOM 0 HD22 LEU A 70 11.330 -11.951 -8.694 1.00 32.14 H new ATOM 0 HD23 LEU A 70 12.766 -11.580 -9.678 1.00 32.14 H new ATOM 816 N ASP A 71 16.238 -10.398 -6.336 1.00 42.03 N ATOM 817 CA ASP A 71 17.177 -10.620 -5.243 1.00 62.21 C ATOM 818 C ASP A 71 18.113 -9.427 -5.080 1.00 45.55 C ATOM 819 O ASP A 71 18.773 -9.279 -4.052 1.00 20.00 O ATOM 820 CB ASP A 71 17.991 -11.891 -5.491 1.00 31.14 C ATOM 821 CG ASP A 71 18.098 -12.761 -4.254 1.00 4.54 C ATOM 822 OD1 ASP A 71 17.871 -12.239 -3.141 1.00 23.45 O ATOM 823 OD2 ASP A 71 18.408 -13.962 -4.397 1.00 44.44 O ATOM 0 H ASP A 71 16.482 -10.873 -7.205 1.00 42.03 H new ATOM 0 HA ASP A 71 16.604 -10.738 -4.324 1.00 62.21 H new ATOM 0 HB2 ASP A 71 17.529 -12.464 -6.295 1.00 31.14 H new ATOM 0 HB3 ASP A 71 18.991 -11.618 -5.827 1.00 31.14 H new ATOM 828 N GLN A 72 18.166 -8.579 -6.102 1.00 52.45 N ATOM 829 CA GLN A 72 19.022 -7.399 -6.073 1.00 24.42 C ATOM 830 C GLN A 72 18.227 -6.158 -5.684 1.00 10.12 C ATOM 831 O GLN A 72 18.769 -5.217 -5.103 1.00 14.04 O ATOM 832 CB GLN A 72 19.684 -7.189 -7.436 1.00 71.01 C ATOM 833 CG GLN A 72 20.858 -8.120 -7.693 1.00 72.00 C ATOM 834 CD GLN A 72 21.959 -7.462 -8.502 1.00 53.31 C ATOM 835 OE1 GLN A 72 23.140 -7.583 -8.177 1.00 33.01 O ATOM 836 NE2 GLN A 72 21.576 -6.760 -9.562 1.00 74.13 N ATOM 0 H GLN A 72 17.626 -8.687 -6.961 1.00 52.45 H new ATOM 0 HA GLN A 72 19.796 -7.562 -5.323 1.00 24.42 H new ATOM 0 HB2 GLN A 72 18.939 -7.333 -8.218 1.00 71.01 H new ATOM 0 HB3 GLN A 72 20.027 -6.157 -7.509 1.00 71.01 H new ATOM 0 HG2 GLN A 72 21.265 -8.457 -6.740 1.00 72.00 H new ATOM 0 HG3 GLN A 72 20.505 -9.006 -8.220 1.00 72.00 H new ATOM 0 HE21 GLN A 72 20.586 -6.687 -9.794 1.00 74.13 H new ATOM 0 HE22 GLN A 72 22.272 -6.294 -10.144 1.00 74.13 H new ATOM 845 N VAL A 73 16.938 -6.161 -6.007 1.00 52.24 N ATOM 846 CA VAL A 73 16.066 -5.035 -5.691 1.00 64.11 C ATOM 847 C VAL A 73 15.986 -4.810 -4.186 1.00 20.15 C ATOM 848 O VAL A 73 16.724 -5.423 -3.415 1.00 1.22 O ATOM 849 CB VAL A 73 14.646 -5.253 -6.244 1.00 1.12 C ATOM 850 CG1 VAL A 73 14.696 -5.602 -7.724 1.00 55.51 C ATOM 851 CG2 VAL A 73 13.928 -6.338 -5.456 1.00 15.24 C ATOM 0 H VAL A 73 16.474 -6.931 -6.488 1.00 52.24 H new ATOM 0 HA VAL A 73 16.500 -4.154 -6.165 1.00 64.11 H new ATOM 0 HB VAL A 73 14.086 -4.325 -6.133 1.00 1.12 H new ATOM 0 HG11 VAL A 73 13.683 -5.752 -8.097 1.00 55.51 H new ATOM 0 HG12 VAL A 73 15.168 -4.788 -8.274 1.00 55.51 H new ATOM 0 HG13 VAL A 73 15.273 -6.516 -7.863 1.00 55.51 H new ATOM 0 HG21 VAL A 73 12.926 -6.479 -5.861 1.00 15.24 H new ATOM 0 HG22 VAL A 73 14.485 -7.272 -5.532 1.00 15.24 H new ATOM 0 HG23 VAL A 73 13.858 -6.042 -4.409 1.00 15.24 H new ATOM 861 N ASP A 74 15.083 -3.927 -3.774 1.00 3.23 N ATOM 862 CA ASP A 74 14.903 -3.621 -2.359 1.00 11.52 C ATOM 863 C ASP A 74 13.669 -4.322 -1.803 1.00 74.41 C ATOM 864 O ASP A 74 13.582 -4.595 -0.606 1.00 4.34 O ATOM 865 CB ASP A 74 14.782 -2.110 -2.153 1.00 75.41 C ATOM 866 CG ASP A 74 15.914 -1.344 -2.810 1.00 13.14 C ATOM 867 OD1 ASP A 74 15.824 -1.082 -4.027 1.00 73.43 O ATOM 868 OD2 ASP A 74 16.889 -1.006 -2.107 1.00 32.12 O ATOM 0 H ASP A 74 14.464 -3.411 -4.399 1.00 3.23 H new ATOM 0 HA ASP A 74 15.778 -3.985 -1.821 1.00 11.52 H new ATOM 0 HB2 ASP A 74 13.831 -1.766 -2.559 1.00 75.41 H new ATOM 0 HB3 ASP A 74 14.771 -1.891 -1.085 1.00 75.41 H new ATOM 873 N ASP A 75 12.714 -4.613 -2.681 1.00 71.32 N ATOM 874 CA ASP A 75 11.483 -5.283 -2.279 1.00 31.03 C ATOM 875 C ASP A 75 11.538 -6.770 -2.619 1.00 54.34 C ATOM 876 O ASP A 75 10.511 -7.395 -2.879 1.00 41.11 O ATOM 877 CB ASP A 75 10.278 -4.636 -2.962 1.00 15.34 C ATOM 878 CG ASP A 75 10.440 -3.137 -3.122 1.00 14.10 C ATOM 879 OD1 ASP A 75 11.004 -2.500 -2.208 1.00 2.42 O ATOM 880 OD2 ASP A 75 10.003 -2.601 -4.162 1.00 1.51 O ATOM 0 H ASP A 75 12.770 -4.395 -3.676 1.00 71.32 H new ATOM 0 HA ASP A 75 11.378 -5.179 -1.199 1.00 31.03 H new ATOM 0 HB2 ASP A 75 10.133 -5.090 -3.942 1.00 15.34 H new ATOM 0 HB3 ASP A 75 9.380 -4.841 -2.379 1.00 15.34 H new ATOM 885 N GLY A 76 12.745 -7.328 -2.616 1.00 72.21 N ATOM 886 CA GLY A 76 12.910 -8.736 -2.927 1.00 23.25 C ATOM 887 C GLY A 76 11.976 -9.621 -2.126 1.00 3.15 C ATOM 888 O GLY A 76 11.694 -10.752 -2.518 1.00 74.31 O ATOM 0 H GLY A 76 13.610 -6.831 -2.404 1.00 72.21 H new ATOM 0 HA2 GLY A 76 12.731 -8.893 -3.991 1.00 23.25 H new ATOM 0 HA3 GLY A 76 13.941 -9.030 -2.730 1.00 23.25 H new ATOM 892 N ALA A 77 11.498 -9.106 -0.998 1.00 14.52 N ATOM 893 CA ALA A 77 10.591 -9.857 -0.139 1.00 54.11 C ATOM 894 C ALA A 77 9.168 -9.830 -0.688 1.00 42.23 C ATOM 895 O ALA A 77 8.573 -10.875 -0.950 1.00 24.52 O ATOM 896 CB ALA A 77 10.622 -9.301 1.276 1.00 24.32 C ATOM 0 H ALA A 77 11.724 -8.171 -0.658 1.00 14.52 H new ATOM 0 HA ALA A 77 10.926 -10.894 -0.117 1.00 54.11 H new ATOM 0 HB1 ALA A 77 9.940 -9.872 1.906 1.00 24.32 H new ATOM 0 HB2 ALA A 77 11.634 -9.377 1.675 1.00 24.32 H new ATOM 0 HB3 ALA A 77 10.315 -8.255 1.263 1.00 24.32 H new ATOM 902 N SER A 78 8.626 -8.628 -0.859 1.00 45.11 N ATOM 903 CA SER A 78 7.272 -8.465 -1.372 1.00 60.34 C ATOM 904 C SER A 78 7.210 -8.802 -2.859 1.00 73.04 C ATOM 905 O SER A 78 6.321 -9.526 -3.308 1.00 5.25 O ATOM 906 CB SER A 78 6.784 -7.034 -1.141 1.00 61.11 C ATOM 907 OG SER A 78 6.645 -6.761 0.243 1.00 13.10 O ATOM 0 H SER A 78 9.105 -7.752 -0.649 1.00 45.11 H new ATOM 0 HA SER A 78 6.621 -9.154 -0.833 1.00 60.34 H new ATOM 0 HB2 SER A 78 7.488 -6.330 -1.585 1.00 61.11 H new ATOM 0 HB3 SER A 78 5.827 -6.887 -1.642 1.00 61.11 H new ATOM 0 HG SER A 78 6.334 -5.840 0.365 1.00 13.10 H new ATOM 913 N VAL A 79 8.162 -8.270 -3.620 1.00 50.02 N ATOM 914 CA VAL A 79 8.218 -8.513 -5.057 1.00 2.44 C ATOM 915 C VAL A 79 8.113 -10.002 -5.367 1.00 15.45 C ATOM 916 O VAL A 79 7.432 -10.402 -6.310 1.00 41.13 O ATOM 917 CB VAL A 79 9.521 -7.963 -5.668 1.00 74.21 C ATOM 918 CG1 VAL A 79 10.688 -8.887 -5.357 1.00 74.41 C ATOM 919 CG2 VAL A 79 9.365 -7.773 -7.169 1.00 71.44 C ATOM 0 H VAL A 79 8.905 -7.668 -3.265 1.00 50.02 H new ATOM 0 HA VAL A 79 7.369 -7.992 -5.500 1.00 2.44 H new ATOM 0 HB VAL A 79 9.730 -6.991 -5.221 1.00 74.21 H new ATOM 0 HG11 VAL A 79 11.600 -8.482 -5.797 1.00 74.41 H new ATOM 0 HG12 VAL A 79 10.811 -8.967 -4.277 1.00 74.41 H new ATOM 0 HG13 VAL A 79 10.491 -9.875 -5.774 1.00 74.41 H new ATOM 0 HG21 VAL A 79 10.294 -7.384 -7.585 1.00 71.44 H new ATOM 0 HG22 VAL A 79 9.132 -8.731 -7.635 1.00 71.44 H new ATOM 0 HG23 VAL A 79 8.557 -7.068 -7.364 1.00 71.44 H new ATOM 929 N GLN A 80 8.789 -10.817 -4.564 1.00 35.24 N ATOM 930 CA GLN A 80 8.771 -12.263 -4.753 1.00 13.43 C ATOM 931 C GLN A 80 7.576 -12.890 -4.041 1.00 45.45 C ATOM 932 O GLN A 80 7.181 -14.014 -4.348 1.00 12.25 O ATOM 933 CB GLN A 80 10.071 -12.882 -4.237 1.00 54.21 C ATOM 934 CG GLN A 80 10.281 -14.318 -4.689 1.00 63.31 C ATOM 935 CD GLN A 80 10.311 -15.296 -3.530 1.00 55.43 C ATOM 936 OE1 GLN A 80 9.647 -15.092 -2.514 1.00 10.50 O ATOM 937 NE2 GLN A 80 11.083 -16.367 -3.678 1.00 55.44 N ATOM 0 H GLN A 80 9.356 -10.501 -3.777 1.00 35.24 H new ATOM 0 HA GLN A 80 8.681 -12.464 -5.820 1.00 13.43 H new ATOM 0 HB2 GLN A 80 10.912 -12.276 -4.576 1.00 54.21 H new ATOM 0 HB3 GLN A 80 10.072 -12.849 -3.148 1.00 54.21 H new ATOM 0 HG2 GLN A 80 9.483 -14.599 -5.376 1.00 63.31 H new ATOM 0 HG3 GLN A 80 11.217 -14.388 -5.243 1.00 63.31 H new ATOM 0 HE21 GLN A 80 11.617 -16.496 -4.538 1.00 55.44 H new ATOM 0 HE22 GLN A 80 11.142 -17.060 -2.932 1.00 55.44 H new ATOM 946 N GLU A 81 7.008 -12.156 -3.090 1.00 41.33 N ATOM 947 CA GLU A 81 5.860 -12.642 -2.333 1.00 61.05 C ATOM 948 C GLU A 81 4.670 -12.896 -3.255 1.00 4.13 C ATOM 949 O GLU A 81 4.076 -13.974 -3.237 1.00 0.20 O ATOM 950 CB GLU A 81 5.473 -11.636 -1.249 1.00 14.33 C ATOM 951 CG GLU A 81 4.374 -12.131 -0.324 1.00 2.21 C ATOM 952 CD GLU A 81 4.241 -11.287 0.930 1.00 25.30 C ATOM 953 OE1 GLU A 81 5.284 -10.863 1.471 1.00 63.22 O ATOM 954 OE2 GLU A 81 3.097 -11.050 1.368 1.00 23.35 O ATOM 0 H GLU A 81 7.324 -11.223 -2.825 1.00 41.33 H new ATOM 0 HA GLU A 81 6.140 -13.584 -1.861 1.00 61.05 H new ATOM 0 HB2 GLU A 81 6.355 -11.397 -0.656 1.00 14.33 H new ATOM 0 HB3 GLU A 81 5.147 -10.710 -1.724 1.00 14.33 H new ATOM 0 HG2 GLU A 81 3.425 -12.130 -0.860 1.00 2.21 H new ATOM 0 HG3 GLU A 81 4.579 -13.164 -0.042 1.00 2.21 H new ATOM 961 N VAL A 82 4.328 -11.895 -4.060 1.00 72.41 N ATOM 962 CA VAL A 82 3.211 -12.009 -4.989 1.00 75.35 C ATOM 963 C VAL A 82 3.649 -12.654 -6.300 1.00 14.45 C ATOM 964 O VAL A 82 2.840 -13.249 -7.012 1.00 55.13 O ATOM 965 CB VAL A 82 2.587 -10.633 -5.289 1.00 41.42 C ATOM 966 CG1 VAL A 82 3.439 -9.868 -6.289 1.00 43.03 C ATOM 967 CG2 VAL A 82 1.164 -10.793 -5.802 1.00 31.43 C ATOM 0 H VAL A 82 4.809 -10.996 -4.087 1.00 72.41 H new ATOM 0 HA VAL A 82 2.464 -12.641 -4.509 1.00 75.35 H new ATOM 0 HB VAL A 82 2.552 -10.060 -4.363 1.00 41.42 H new ATOM 0 HG11 VAL A 82 2.983 -8.898 -6.489 1.00 43.03 H new ATOM 0 HG12 VAL A 82 4.438 -9.721 -5.879 1.00 43.03 H new ATOM 0 HG13 VAL A 82 3.508 -10.435 -7.217 1.00 43.03 H new ATOM 0 HG21 VAL A 82 0.739 -9.811 -6.009 1.00 31.43 H new ATOM 0 HG22 VAL A 82 1.172 -11.385 -6.717 1.00 31.43 H new ATOM 0 HG23 VAL A 82 0.560 -11.298 -5.048 1.00 31.43 H new ATOM 977 N LEU A 83 4.933 -12.531 -6.612 1.00 4.01 N ATOM 978 CA LEU A 83 5.481 -13.102 -7.837 1.00 52.22 C ATOM 979 C LEU A 83 5.582 -14.621 -7.733 1.00 53.32 C ATOM 980 O LEU A 83 5.150 -15.346 -8.630 1.00 13.55 O ATOM 981 CB LEU A 83 6.860 -12.507 -8.130 1.00 1.34 C ATOM 982 CG LEU A 83 7.505 -12.924 -9.451 1.00 71.53 C ATOM 983 CD1 LEU A 83 6.557 -12.669 -10.612 1.00 0.33 C ATOM 984 CD2 LEU A 83 8.818 -12.186 -9.660 1.00 5.31 C ATOM 0 H LEU A 83 5.615 -12.041 -6.034 1.00 4.01 H new ATOM 0 HA LEU A 83 4.805 -12.856 -8.656 1.00 52.22 H new ATOM 0 HB2 LEU A 83 6.774 -11.420 -8.118 1.00 1.34 H new ATOM 0 HB3 LEU A 83 7.532 -12.783 -7.318 1.00 1.34 H new ATOM 0 HG LEU A 83 7.715 -13.993 -9.409 1.00 71.53 H new ATOM 0 HD11 LEU A 83 7.034 -12.972 -11.544 1.00 0.33 H new ATOM 0 HD12 LEU A 83 5.643 -13.244 -10.468 1.00 0.33 H new ATOM 0 HD13 LEU A 83 6.314 -11.607 -10.657 1.00 0.33 H new ATOM 0 HD21 LEU A 83 9.263 -12.496 -10.606 1.00 5.31 H new ATOM 0 HD22 LEU A 83 8.632 -11.112 -9.681 1.00 5.31 H new ATOM 0 HD23 LEU A 83 9.501 -12.420 -8.844 1.00 5.31 H new ATOM 996 N THR A 84 6.153 -15.097 -6.631 1.00 12.21 N ATOM 997 CA THR A 84 6.309 -16.528 -6.409 1.00 23.12 C ATOM 998 C THR A 84 4.976 -17.255 -6.547 1.00 3.13 C ATOM 999 O THR A 84 4.938 -18.447 -6.852 1.00 52.42 O ATOM 1000 CB THR A 84 6.897 -16.819 -5.015 1.00 31.13 C ATOM 1001 OG1 THR A 84 8.300 -16.533 -5.006 1.00 52.30 O ATOM 1002 CG2 THR A 84 6.668 -18.271 -4.624 1.00 25.13 C ATOM 0 H THR A 84 6.515 -14.511 -5.878 1.00 12.21 H new ATOM 0 HA THR A 84 6.999 -16.892 -7.170 1.00 23.12 H new ATOM 0 HB THR A 84 6.392 -16.180 -4.291 1.00 31.13 H new ATOM 0 HG1 THR A 84 8.774 -17.236 -4.515 1.00 52.30 H new ATOM 0 HG21 THR A 84 7.092 -18.453 -3.636 1.00 25.13 H new ATOM 0 HG22 THR A 84 5.598 -18.478 -4.604 1.00 25.13 H new ATOM 0 HG23 THR A 84 7.150 -18.924 -5.351 1.00 25.13 H new ATOM 1010 N GLU A 85 3.886 -16.529 -6.319 1.00 54.15 N ATOM 1011 CA GLU A 85 2.551 -17.107 -6.419 1.00 53.54 C ATOM 1012 C GLU A 85 2.098 -17.185 -7.875 1.00 23.13 C ATOM 1013 O GLU A 85 1.333 -18.072 -8.252 1.00 31.21 O ATOM 1014 CB GLU A 85 1.551 -16.281 -5.608 1.00 11.44 C ATOM 1015 CG GLU A 85 1.040 -16.992 -4.366 1.00 53.10 C ATOM 1016 CD GLU A 85 0.706 -16.033 -3.240 1.00 62.51 C ATOM 1017 OE1 GLU A 85 0.387 -14.862 -3.532 1.00 41.53 O ATOM 1018 OE2 GLU A 85 0.763 -16.455 -2.065 1.00 41.43 O ATOM 0 H GLU A 85 3.901 -15.541 -6.064 1.00 54.15 H new ATOM 0 HA GLU A 85 2.591 -18.118 -6.014 1.00 53.54 H new ATOM 0 HB2 GLU A 85 2.022 -15.344 -5.312 1.00 11.44 H new ATOM 0 HB3 GLU A 85 0.704 -16.025 -6.244 1.00 11.44 H new ATOM 0 HG2 GLU A 85 0.151 -17.569 -4.622 1.00 53.10 H new ATOM 0 HG3 GLU A 85 1.793 -17.701 -4.023 1.00 53.10 H new ATOM 1025 N ILE A 86 2.577 -16.249 -8.688 1.00 25.34 N ATOM 1026 CA ILE A 86 2.223 -16.212 -10.101 1.00 52.51 C ATOM 1027 C ILE A 86 2.497 -17.553 -10.773 1.00 5.44 C ATOM 1028 O ILE A 86 1.695 -18.034 -11.572 1.00 11.14 O ATOM 1029 CB ILE A 86 2.999 -15.109 -10.847 1.00 32.14 C ATOM 1030 CG1 ILE A 86 2.733 -13.746 -10.207 1.00 13.14 C ATOM 1031 CG2 ILE A 86 2.613 -15.094 -12.318 1.00 42.33 C ATOM 1032 CD1 ILE A 86 3.379 -12.595 -10.945 1.00 14.21 C ATOM 0 H ILE A 86 3.211 -15.507 -8.392 1.00 25.34 H new ATOM 0 HA ILE A 86 1.156 -15.994 -10.153 1.00 52.51 H new ATOM 0 HB ILE A 86 4.066 -15.322 -10.773 1.00 32.14 H new ATOM 0 HG12 ILE A 86 1.657 -13.579 -10.161 1.00 13.14 H new ATOM 0 HG13 ILE A 86 3.098 -13.759 -9.180 1.00 13.14 H new ATOM 0 HG21 ILE A 86 3.169 -14.310 -12.832 1.00 42.33 H new ATOM 0 HG22 ILE A 86 2.849 -16.059 -12.766 1.00 42.33 H new ATOM 0 HG23 ILE A 86 1.544 -14.902 -12.412 1.00 42.33 H new ATOM 0 HD11 ILE A 86 3.148 -11.660 -10.435 1.00 14.21 H new ATOM 0 HD12 ILE A 86 4.459 -12.738 -10.968 1.00 14.21 H new ATOM 0 HD13 ILE A 86 2.996 -12.556 -11.965 1.00 14.21 H new ATOM 1044 N SER A 87 3.636 -18.153 -10.440 1.00 42.32 N ATOM 1045 CA SER A 87 4.018 -19.439 -11.011 1.00 55.35 C ATOM 1046 C SER A 87 3.948 -20.542 -9.961 1.00 24.43 C ATOM 1047 O SER A 87 3.942 -21.728 -10.289 1.00 45.02 O ATOM 1048 CB SER A 87 5.429 -19.363 -11.596 1.00 41.32 C ATOM 1049 OG SER A 87 6.077 -18.163 -11.209 1.00 24.21 O ATOM 0 H SER A 87 4.310 -17.769 -9.778 1.00 42.32 H new ATOM 0 HA SER A 87 3.315 -19.677 -11.809 1.00 55.35 H new ATOM 0 HB2 SER A 87 6.012 -20.220 -11.259 1.00 41.32 H new ATOM 0 HB3 SER A 87 5.379 -19.419 -12.683 1.00 41.32 H new ATOM 0 HG SER A 87 6.767 -17.937 -11.867 1.00 24.21 H new ATOM 1055 N ASN A 88 3.897 -20.143 -8.694 1.00 4.52 N ATOM 1056 CA ASN A 88 3.830 -21.098 -7.594 1.00 13.41 C ATOM 1057 C ASN A 88 4.938 -22.139 -7.708 1.00 25.24 C ATOM 1058 O ASN A 88 4.696 -23.336 -7.555 1.00 63.02 O ATOM 1059 CB ASN A 88 2.465 -21.789 -7.574 1.00 62.01 C ATOM 1060 CG ASN A 88 1.963 -22.037 -6.164 1.00 60.32 C ATOM 1061 OD1 ASN A 88 1.726 -21.099 -5.403 1.00 53.44 O ATOM 1062 ND2 ASN A 88 1.798 -23.306 -5.810 1.00 14.13 N ATOM 0 H ASN A 88 3.901 -19.165 -8.404 1.00 4.52 H new ATOM 0 HA ASN A 88 3.966 -20.550 -6.662 1.00 13.41 H new ATOM 0 HB2 ASN A 88 1.742 -21.175 -8.111 1.00 62.01 H new ATOM 0 HB3 ASN A 88 2.534 -22.739 -8.105 1.00 62.01 H new ATOM 0 HD21 ASN A 88 1.462 -23.535 -4.874 1.00 14.13 H new ATOM 0 HD22 ASN A 88 2.007 -24.052 -6.474 1.00 14.13 H new ATOM 1069 N GLN A 89 6.154 -21.674 -7.977 1.00 1.21 N ATOM 1070 CA GLN A 89 7.299 -22.566 -8.111 1.00 64.14 C ATOM 1071 C GLN A 89 8.413 -22.170 -7.147 1.00 22.35 C ATOM 1072 O GLN A 89 8.554 -21.001 -6.789 1.00 41.21 O ATOM 1073 CB GLN A 89 7.823 -22.545 -9.548 1.00 73.35 C ATOM 1074 CG GLN A 89 7.310 -23.697 -10.399 1.00 5.30 C ATOM 1075 CD GLN A 89 6.404 -23.233 -11.522 1.00 60.44 C ATOM 1076 OE1 GLN A 89 5.312 -23.769 -11.715 1.00 63.21 O ATOM 1077 NE2 GLN A 89 6.852 -22.233 -12.271 1.00 0.23 N ATOM 0 H GLN A 89 6.371 -20.686 -8.106 1.00 1.21 H new ATOM 0 HA GLN A 89 6.971 -23.576 -7.865 1.00 64.14 H new ATOM 0 HB2 GLN A 89 7.538 -21.603 -10.016 1.00 73.35 H new ATOM 0 HB3 GLN A 89 8.912 -22.575 -9.529 1.00 73.35 H new ATOM 0 HG2 GLN A 89 8.157 -24.238 -10.821 1.00 5.30 H new ATOM 0 HG3 GLN A 89 6.767 -24.398 -9.765 1.00 5.30 H new ATOM 0 HE21 GLN A 89 7.763 -21.818 -12.076 1.00 0.23 H new ATOM 0 HE22 GLN A 89 6.285 -21.879 -13.042 1.00 0.23 H new ATOM 1086 N LYS A 90 9.203 -23.154 -6.728 1.00 53.21 N ATOM 1087 CA LYS A 90 10.305 -22.911 -5.804 1.00 41.55 C ATOM 1088 C LYS A 90 11.079 -21.656 -6.201 1.00 32.35 C ATOM 1089 O LYS A 90 11.328 -20.781 -5.371 1.00 44.11 O ATOM 1090 CB LYS A 90 11.248 -24.116 -5.774 1.00 51.12 C ATOM 1091 CG LYS A 90 12.036 -24.239 -4.482 1.00 54.31 C ATOM 1092 CD LYS A 90 11.242 -24.972 -3.413 1.00 11.12 C ATOM 1093 CE LYS A 90 12.082 -25.223 -2.170 1.00 33.54 C ATOM 1094 NZ LYS A 90 12.758 -26.549 -2.217 1.00 32.54 N ATOM 0 H LYS A 90 9.100 -24.128 -7.014 1.00 53.21 H new ATOM 0 HA LYS A 90 9.887 -22.761 -4.809 1.00 41.55 H new ATOM 0 HB2 LYS A 90 10.666 -25.026 -5.923 1.00 51.12 H new ATOM 0 HB3 LYS A 90 11.945 -24.043 -6.609 1.00 51.12 H new ATOM 0 HG2 LYS A 90 12.969 -24.770 -4.673 1.00 54.31 H new ATOM 0 HG3 LYS A 90 12.303 -23.246 -4.121 1.00 54.31 H new ATOM 0 HD2 LYS A 90 10.362 -24.387 -3.147 1.00 11.12 H new ATOM 0 HD3 LYS A 90 10.885 -25.922 -3.810 1.00 11.12 H new ATOM 0 HE2 LYS A 90 12.831 -24.437 -2.073 1.00 33.54 H new ATOM 0 HE3 LYS A 90 11.447 -25.170 -1.286 1.00 33.54 H new ATOM 0 HZ1 LYS A 90 13.321 -26.683 -1.353 1.00 32.54 H new ATOM 0 HZ2 LYS A 90 12.043 -27.301 -2.284 1.00 32.54 H new ATOM 0 HZ3 LYS A 90 13.383 -26.591 -3.047 1.00 32.54 H new ATOM 1108 N THR A 91 11.455 -21.576 -7.473 1.00 55.14 N ATOM 1109 CA THR A 91 12.200 -20.429 -7.978 1.00 14.41 C ATOM 1110 C THR A 91 11.262 -19.289 -8.360 1.00 2.13 C ATOM 1111 O THR A 91 10.064 -19.337 -8.080 1.00 22.24 O ATOM 1112 CB THR A 91 13.052 -20.809 -9.203 1.00 45.15 C ATOM 1113 OG1 THR A 91 12.661 -22.096 -9.694 1.00 12.31 O ATOM 1114 CG2 THR A 91 14.532 -20.824 -8.849 1.00 71.33 C ATOM 0 H THR A 91 11.256 -22.291 -8.172 1.00 55.14 H new ATOM 0 HA THR A 91 12.858 -20.100 -7.174 1.00 14.41 H new ATOM 0 HB THR A 91 12.887 -20.061 -9.978 1.00 45.15 H new ATOM 0 HG1 THR A 91 11.740 -22.053 -10.026 1.00 12.31 H new ATOM 0 HG21 THR A 91 15.114 -21.095 -9.730 1.00 71.33 H new ATOM 0 HG22 THR A 91 14.834 -19.835 -8.505 1.00 71.33 H new ATOM 0 HG23 THR A 91 14.710 -21.553 -8.058 1.00 71.33 H new ATOM 1122 N VAL A 92 11.815 -18.265 -9.001 1.00 55.44 N ATOM 1123 CA VAL A 92 11.026 -17.112 -9.423 1.00 71.33 C ATOM 1124 C VAL A 92 10.983 -17.003 -10.943 1.00 1.02 C ATOM 1125 O VAL A 92 11.300 -15.965 -11.525 1.00 25.52 O ATOM 1126 CB VAL A 92 11.591 -15.803 -8.841 1.00 15.12 C ATOM 1127 CG1 VAL A 92 10.505 -14.739 -8.768 1.00 65.32 C ATOM 1128 CG2 VAL A 92 12.201 -16.049 -7.470 1.00 14.02 C ATOM 0 H VAL A 92 12.805 -18.209 -9.240 1.00 55.44 H new ATOM 0 HA VAL A 92 10.015 -17.263 -9.044 1.00 71.33 H new ATOM 0 HB VAL A 92 12.378 -15.441 -9.503 1.00 15.12 H new ATOM 0 HG11 VAL A 92 10.922 -13.821 -8.354 1.00 65.32 H new ATOM 0 HG12 VAL A 92 10.119 -14.544 -9.769 1.00 65.32 H new ATOM 0 HG13 VAL A 92 9.695 -15.089 -8.129 1.00 65.32 H new ATOM 0 HG21 VAL A 92 12.595 -15.113 -7.074 1.00 14.02 H new ATOM 0 HG22 VAL A 92 11.437 -16.435 -6.796 1.00 14.02 H new ATOM 0 HG23 VAL A 92 13.009 -16.775 -7.556 1.00 14.02 H new ATOM 1138 N PRO A 93 10.580 -18.099 -11.603 1.00 52.14 N ATOM 1139 CA PRO A 93 10.483 -18.152 -13.065 1.00 41.43 C ATOM 1140 C PRO A 93 9.347 -17.289 -13.603 1.00 34.12 C ATOM 1141 O PRO A 93 8.189 -17.465 -13.225 1.00 3.23 O ATOM 1142 CB PRO A 93 10.213 -19.631 -13.351 1.00 10.24 C ATOM 1143 CG PRO A 93 9.572 -20.145 -12.108 1.00 32.02 C ATOM 1144 CD PRO A 93 10.185 -19.370 -10.974 1.00 65.35 C ATOM 0 HA PRO A 93 11.383 -17.769 -13.546 1.00 41.43 H new ATOM 0 HB2 PRO A 93 9.559 -19.755 -14.214 1.00 10.24 H new ATOM 0 HB3 PRO A 93 11.136 -20.167 -13.571 1.00 10.24 H new ATOM 0 HG2 PRO A 93 8.492 -20.003 -12.139 1.00 32.02 H new ATOM 0 HG3 PRO A 93 9.750 -21.214 -11.991 1.00 32.02 H new ATOM 0 HD2 PRO A 93 9.473 -19.213 -10.164 1.00 65.35 H new ATOM 0 HD3 PRO A 93 11.043 -19.891 -10.548 1.00 65.35 H new ATOM 1152 N ASN A 94 9.684 -16.356 -14.488 1.00 61.42 N ATOM 1153 CA ASN A 94 8.691 -15.467 -15.078 1.00 11.15 C ATOM 1154 C ASN A 94 8.886 -15.356 -16.587 1.00 21.35 C ATOM 1155 O ASN A 94 9.913 -14.864 -17.055 1.00 70.13 O ATOM 1156 CB ASN A 94 8.776 -14.079 -14.438 1.00 73.14 C ATOM 1157 CG ASN A 94 7.516 -13.716 -13.676 1.00 33.30 C ATOM 1158 OD1 ASN A 94 7.004 -12.603 -13.794 1.00 54.13 O ATOM 1159 ND2 ASN A 94 7.011 -14.656 -12.886 1.00 62.45 N ATOM 0 H ASN A 94 10.638 -16.196 -14.812 1.00 61.42 H new ATOM 0 HA ASN A 94 7.704 -15.889 -14.888 1.00 11.15 H new ATOM 0 HB2 ASN A 94 9.629 -14.046 -13.761 1.00 73.14 H new ATOM 0 HB3 ASN A 94 8.956 -13.335 -15.214 1.00 73.14 H new ATOM 0 HD21 ASN A 94 6.166 -14.469 -12.347 1.00 62.45 H new ATOM 0 HD22 ASN A 94 7.468 -15.565 -12.818 1.00 62.45 H new ATOM 1166 N ILE A 95 7.894 -15.818 -17.341 1.00 23.40 N ATOM 1167 CA ILE A 95 7.957 -15.770 -18.796 1.00 52.25 C ATOM 1168 C ILE A 95 6.647 -15.257 -19.386 1.00 65.23 C ATOM 1169 O ILE A 95 5.659 -15.989 -19.460 1.00 43.50 O ATOM 1170 CB ILE A 95 8.268 -17.155 -19.393 1.00 71.10 C ATOM 1171 CG1 ILE A 95 7.727 -18.260 -18.482 1.00 51.21 C ATOM 1172 CG2 ILE A 95 9.766 -17.319 -19.599 1.00 44.54 C ATOM 1173 CD1 ILE A 95 8.700 -18.684 -17.404 1.00 34.52 C ATOM 0 H ILE A 95 7.038 -16.229 -16.969 1.00 23.40 H new ATOM 0 HA ILE A 95 8.763 -15.083 -19.054 1.00 52.25 H new ATOM 0 HB ILE A 95 7.776 -17.235 -20.363 1.00 71.10 H new ATOM 0 HG12 ILE A 95 6.806 -17.915 -18.013 1.00 51.21 H new ATOM 0 HG13 ILE A 95 7.470 -19.127 -19.090 1.00 51.21 H new ATOM 0 HG21 ILE A 95 9.970 -18.303 -20.021 1.00 44.54 H new ATOM 0 HG22 ILE A 95 10.126 -16.549 -20.282 1.00 44.54 H new ATOM 0 HG23 ILE A 95 10.278 -17.222 -18.641 1.00 44.54 H new ATOM 0 HD11 ILE A 95 8.250 -19.469 -16.797 1.00 34.52 H new ATOM 0 HD12 ILE A 95 9.613 -19.060 -17.865 1.00 34.52 H new ATOM 0 HD13 ILE A 95 8.939 -17.828 -16.772 1.00 34.52 H new ATOM 1185 N PHE A 96 6.647 -13.997 -19.806 1.00 64.12 N ATOM 1186 CA PHE A 96 5.459 -13.386 -20.391 1.00 54.31 C ATOM 1187 C PHE A 96 5.818 -12.581 -21.636 1.00 73.34 C ATOM 1188 O PHE A 96 6.737 -11.762 -21.617 1.00 10.31 O ATOM 1189 CB PHE A 96 4.768 -12.483 -19.368 1.00 14.24 C ATOM 1190 CG PHE A 96 4.363 -13.200 -18.112 1.00 53.12 C ATOM 1191 CD1 PHE A 96 5.315 -13.593 -17.186 1.00 15.13 C ATOM 1192 CD2 PHE A 96 3.030 -13.480 -17.857 1.00 63.33 C ATOM 1193 CE1 PHE A 96 4.944 -14.255 -16.029 1.00 43.53 C ATOM 1194 CE2 PHE A 96 2.654 -14.141 -16.703 1.00 60.33 C ATOM 1195 CZ PHE A 96 3.612 -14.527 -15.788 1.00 24.53 C ATOM 0 H PHE A 96 7.456 -13.379 -19.752 1.00 64.12 H new ATOM 0 HA PHE A 96 4.776 -14.184 -20.681 1.00 54.31 H new ATOM 0 HB2 PHE A 96 5.437 -11.663 -19.109 1.00 14.24 H new ATOM 0 HB3 PHE A 96 3.883 -12.040 -19.825 1.00 14.24 H new ATOM 0 HD1 PHE A 96 6.358 -13.380 -17.369 1.00 15.13 H new ATOM 0 HD2 PHE A 96 2.276 -13.178 -18.569 1.00 63.33 H new ATOM 0 HE1 PHE A 96 5.696 -14.559 -15.315 1.00 43.53 H new ATOM 0 HE2 PHE A 96 1.612 -14.355 -16.518 1.00 60.33 H new ATOM 0 HZ PHE A 96 3.320 -15.041 -14.884 1.00 24.53 H new ATOM 1205 N VAL A 97 5.086 -12.820 -22.720 1.00 65.32 N ATOM 1206 CA VAL A 97 5.326 -12.118 -23.975 1.00 64.10 C ATOM 1207 C VAL A 97 4.022 -11.614 -24.581 1.00 10.14 C ATOM 1208 O VAL A 97 3.016 -12.322 -24.592 1.00 52.22 O ATOM 1209 CB VAL A 97 6.038 -13.024 -24.999 1.00 14.02 C ATOM 1210 CG1 VAL A 97 5.076 -14.067 -25.548 1.00 4.31 C ATOM 1211 CG2 VAL A 97 6.634 -12.191 -26.123 1.00 53.12 C ATOM 0 H VAL A 97 4.322 -13.495 -22.754 1.00 65.32 H new ATOM 0 HA VAL A 97 5.969 -11.268 -23.744 1.00 64.10 H new ATOM 0 HB VAL A 97 6.851 -13.545 -24.494 1.00 14.02 H new ATOM 0 HG11 VAL A 97 5.596 -14.698 -26.269 1.00 4.31 H new ATOM 0 HG12 VAL A 97 4.702 -14.683 -24.730 1.00 4.31 H new ATOM 0 HG13 VAL A 97 4.240 -13.568 -26.038 1.00 4.31 H new ATOM 0 HG21 VAL A 97 7.133 -12.847 -26.837 1.00 53.12 H new ATOM 0 HG22 VAL A 97 5.840 -11.641 -26.629 1.00 53.12 H new ATOM 0 HG23 VAL A 97 7.357 -11.487 -25.710 1.00 53.12 H new ATOM 1221 N ASN A 98 4.046 -10.384 -25.084 1.00 51.51 N ATOM 1222 CA ASN A 98 2.865 -9.783 -25.692 1.00 75.31 C ATOM 1223 C ASN A 98 1.704 -9.742 -24.702 1.00 74.41 C ATOM 1224 O ASN A 98 0.555 -9.996 -25.064 1.00 20.10 O ATOM 1225 CB ASN A 98 2.455 -10.564 -26.943 1.00 31.24 C ATOM 1226 CG ASN A 98 1.777 -9.686 -27.977 1.00 24.23 C ATOM 1227 OD1 ASN A 98 1.734 -8.464 -27.837 1.00 13.15 O ATOM 1228 ND2 ASN A 98 1.244 -10.308 -29.022 1.00 62.10 N ATOM 0 H ASN A 98 4.871 -9.784 -25.082 1.00 51.51 H new ATOM 0 HA ASN A 98 3.114 -8.761 -25.976 1.00 75.31 H new ATOM 0 HB2 ASN A 98 3.338 -11.026 -27.385 1.00 31.24 H new ATOM 0 HB3 ASN A 98 1.781 -11.372 -26.659 1.00 31.24 H new ATOM 0 HD21 ASN A 98 0.775 -9.770 -29.751 1.00 62.10 H new ATOM 0 HD22 ASN A 98 1.304 -11.324 -29.096 1.00 62.10 H new ATOM 1235 N LYS A 99 2.013 -9.422 -23.450 1.00 12.44 N ATOM 1236 CA LYS A 99 0.997 -9.345 -22.407 1.00 31.31 C ATOM 1237 C LYS A 99 0.310 -10.694 -22.217 1.00 52.03 C ATOM 1238 O LYS A 99 -0.907 -10.763 -22.045 1.00 1.33 O ATOM 1239 CB LYS A 99 -0.041 -8.276 -22.753 1.00 53.24 C ATOM 1240 CG LYS A 99 0.553 -6.891 -22.943 1.00 75.22 C ATOM 1241 CD LYS A 99 1.032 -6.679 -24.369 1.00 60.32 C ATOM 1242 CE LYS A 99 1.089 -5.202 -24.725 1.00 72.43 C ATOM 1243 NZ LYS A 99 1.891 -4.958 -25.956 1.00 0.15 N ATOM 0 H LYS A 99 2.959 -9.212 -23.133 1.00 12.44 H new ATOM 0 HA LYS A 99 1.490 -9.073 -21.474 1.00 31.31 H new ATOM 0 HB2 LYS A 99 -0.560 -8.568 -23.666 1.00 53.24 H new ATOM 0 HB3 LYS A 99 -0.788 -8.236 -21.960 1.00 53.24 H new ATOM 0 HG2 LYS A 99 -0.193 -6.137 -22.693 1.00 75.22 H new ATOM 0 HG3 LYS A 99 1.387 -6.754 -22.254 1.00 75.22 H new ATOM 0 HD2 LYS A 99 2.020 -7.122 -24.491 1.00 60.32 H new ATOM 0 HD3 LYS A 99 0.364 -7.195 -25.059 1.00 60.32 H new ATOM 0 HE2 LYS A 99 0.077 -4.824 -24.870 1.00 72.43 H new ATOM 0 HE3 LYS A 99 1.521 -4.645 -23.894 1.00 72.43 H new ATOM 0 HZ1 LYS A 99 1.905 -3.939 -26.165 1.00 0.15 H new ATOM 0 HZ2 LYS A 99 2.864 -5.295 -25.809 1.00 0.15 H new ATOM 0 HZ3 LYS A 99 1.465 -5.469 -26.755 1.00 0.15 H new ATOM 1257 N VAL A 100 1.097 -11.764 -22.248 1.00 64.32 N ATOM 1258 CA VAL A 100 0.565 -13.111 -22.078 1.00 1.52 C ATOM 1259 C VAL A 100 1.532 -13.988 -21.291 1.00 74.30 C ATOM 1260 O VAL A 100 2.731 -13.713 -21.234 1.00 33.04 O ATOM 1261 CB VAL A 100 0.274 -13.776 -23.437 1.00 1.35 C ATOM 1262 CG1 VAL A 100 1.409 -14.712 -23.826 1.00 40.33 C ATOM 1263 CG2 VAL A 100 -1.051 -14.522 -23.391 1.00 45.34 C ATOM 0 H VAL A 100 2.106 -11.724 -22.389 1.00 64.32 H new ATOM 0 HA VAL A 100 -0.368 -13.015 -21.523 1.00 1.52 H new ATOM 0 HB VAL A 100 0.200 -12.997 -24.196 1.00 1.35 H new ATOM 0 HG11 VAL A 100 1.187 -15.173 -24.788 1.00 40.33 H new ATOM 0 HG12 VAL A 100 2.338 -14.146 -23.900 1.00 40.33 H new ATOM 0 HG13 VAL A 100 1.517 -15.488 -23.068 1.00 40.33 H new ATOM 0 HG21 VAL A 100 -1.241 -14.986 -24.359 1.00 45.34 H new ATOM 0 HG22 VAL A 100 -1.008 -15.293 -22.621 1.00 45.34 H new ATOM 0 HG23 VAL A 100 -1.854 -13.823 -23.160 1.00 45.34 H new ATOM 1273 N HIS A 101 1.002 -15.047 -20.685 1.00 13.11 N ATOM 1274 CA HIS A 101 1.819 -15.967 -19.901 1.00 14.33 C ATOM 1275 C HIS A 101 2.315 -17.123 -20.764 1.00 54.02 C ATOM 1276 O HIS A 101 1.531 -17.780 -21.450 1.00 52.33 O ATOM 1277 CB HIS A 101 1.019 -16.507 -18.714 1.00 42.52 C ATOM 1278 CG HIS A 101 1.875 -17.075 -17.625 1.00 23.35 C ATOM 1279 ND1 HIS A 101 3.252 -16.998 -17.632 1.00 62.14 N ATOM 1280 CD2 HIS A 101 1.542 -17.731 -16.489 1.00 4.32 C ATOM 1281 CE1 HIS A 101 3.730 -17.584 -16.548 1.00 55.12 C ATOM 1282 NE2 HIS A 101 2.712 -18.037 -15.837 1.00 44.43 N ATOM 0 H HIS A 101 0.012 -15.289 -20.722 1.00 13.11 H new ATOM 0 HA HIS A 101 2.684 -15.419 -19.527 1.00 14.33 H new ATOM 0 HB2 HIS A 101 0.407 -15.704 -18.303 1.00 42.52 H new ATOM 0 HB3 HIS A 101 0.336 -17.279 -19.068 1.00 42.52 H new ATOM 0 HD2 HIS A 101 0.542 -17.970 -16.157 1.00 4.32 H new ATOM 0 HE1 HIS A 101 4.774 -17.677 -16.288 1.00 55.12 H new ATOM 0 HE2 HIS A 101 2.783 -18.533 -14.949 1.00 44.43 H new ATOM 1290 N VAL A 102 3.620 -17.367 -20.725 1.00 1.11 N ATOM 1291 CA VAL A 102 4.221 -18.444 -21.502 1.00 54.44 C ATOM 1292 C VAL A 102 4.325 -19.723 -20.680 1.00 71.13 C ATOM 1293 O VAL A 102 4.373 -20.824 -21.228 1.00 43.23 O ATOM 1294 CB VAL A 102 5.623 -18.056 -22.008 1.00 60.44 C ATOM 1295 CG1 VAL A 102 6.093 -19.031 -23.077 1.00 63.51 C ATOM 1296 CG2 VAL A 102 5.622 -16.631 -22.539 1.00 51.23 C ATOM 0 H VAL A 102 4.283 -16.833 -20.163 1.00 1.11 H new ATOM 0 HA VAL A 102 3.569 -18.618 -22.358 1.00 54.44 H new ATOM 0 HB VAL A 102 6.319 -18.107 -21.171 1.00 60.44 H new ATOM 0 HG11 VAL A 102 7.085 -18.741 -23.423 1.00 63.51 H new ATOM 0 HG12 VAL A 102 6.134 -20.037 -22.659 1.00 63.51 H new ATOM 0 HG13 VAL A 102 5.397 -19.014 -23.916 1.00 63.51 H new ATOM 0 HG21 VAL A 102 6.621 -16.374 -22.892 1.00 51.23 H new ATOM 0 HG22 VAL A 102 4.913 -16.550 -23.363 1.00 51.23 H new ATOM 0 HG23 VAL A 102 5.331 -15.946 -21.742 1.00 51.23 H new ATOM 1306 N GLY A 103 4.359 -19.571 -19.360 1.00 44.43 N ATOM 1307 CA GLY A 103 4.458 -20.722 -18.483 1.00 31.15 C ATOM 1308 C GLY A 103 5.871 -20.955 -17.985 1.00 41.42 C ATOM 1309 O GLY A 103 6.315 -20.313 -17.034 1.00 61.03 O ATOM 0 H GLY A 103 4.320 -18.671 -18.882 1.00 44.43 H new ATOM 0 HA2 GLY A 103 3.794 -20.582 -17.630 1.00 31.15 H new ATOM 0 HA3 GLY A 103 4.113 -21.609 -19.014 1.00 31.15 H new ATOM 1313 N GLY A 104 6.580 -21.877 -18.630 1.00 0.44 N ATOM 1314 CA GLY A 104 7.943 -22.176 -18.232 1.00 60.04 C ATOM 1315 C GLY A 104 8.042 -23.455 -17.424 1.00 43.45 C ATOM 1316 O GLY A 104 7.037 -23.962 -16.925 1.00 1.03 O ATOM 0 H GLY A 104 6.235 -22.422 -19.420 1.00 0.44 H new ATOM 0 HA2 GLY A 104 8.568 -22.262 -19.121 1.00 60.04 H new ATOM 0 HA3 GLY A 104 8.337 -21.347 -17.644 1.00 60.04 H new ATOM 1320 N CYS A 105 9.256 -23.978 -17.297 1.00 24.02 N ATOM 1321 CA CYS A 105 9.484 -25.207 -16.545 1.00 65.45 C ATOM 1322 C CYS A 105 8.917 -26.412 -17.290 1.00 34.45 C ATOM 1323 O CYS A 105 8.924 -27.531 -16.776 1.00 64.54 O ATOM 1324 CB CYS A 105 8.851 -25.106 -15.157 1.00 72.20 C ATOM 1325 SG CYS A 105 9.599 -26.196 -13.923 1.00 53.33 S ATOM 0 H CYS A 105 10.098 -23.571 -17.705 1.00 24.02 H new ATOM 0 HA CYS A 105 10.560 -25.343 -16.435 1.00 65.45 H new ATOM 0 HB2 CYS A 105 8.926 -24.076 -14.809 1.00 72.20 H new ATOM 0 HB3 CYS A 105 7.789 -25.339 -15.236 1.00 72.20 H new ATOM 0 HG CYS A 105 8.997 -26.037 -12.782 1.00 53.33 H new ATOM 1331 N ASP A 106 8.425 -26.174 -18.500 1.00 73.42 N ATOM 1332 CA ASP A 106 7.852 -27.240 -19.315 1.00 24.52 C ATOM 1333 C ASP A 106 7.171 -26.669 -20.555 1.00 22.41 C ATOM 1334 O ASP A 106 7.249 -27.248 -21.638 1.00 75.34 O ATOM 1335 CB ASP A 106 6.849 -28.054 -18.496 1.00 74.21 C ATOM 1336 CG ASP A 106 5.851 -28.791 -19.369 1.00 1.51 C ATOM 1337 OD1 ASP A 106 6.161 -29.921 -19.801 1.00 24.45 O ATOM 1338 OD2 ASP A 106 4.761 -28.237 -19.621 1.00 13.43 O ATOM 0 H ASP A 106 8.411 -25.253 -18.939 1.00 73.42 H new ATOM 0 HA ASP A 106 8.662 -27.894 -19.636 1.00 24.52 H new ATOM 0 HB2 ASP A 106 7.387 -28.773 -17.878 1.00 74.21 H new ATOM 0 HB3 ASP A 106 6.313 -27.389 -17.818 1.00 74.21 H new ATOM 1343 N ARG A 107 6.505 -25.532 -20.387 1.00 72.02 N ATOM 1344 CA ARG A 107 5.809 -24.885 -21.493 1.00 11.34 C ATOM 1345 C ARG A 107 6.780 -24.075 -22.347 1.00 73.25 C ATOM 1346 O ARG A 107 6.910 -24.308 -23.550 1.00 14.23 O ATOM 1347 CB ARG A 107 4.700 -23.975 -20.962 1.00 12.53 C ATOM 1348 CG ARG A 107 3.371 -24.154 -21.678 1.00 53.51 C ATOM 1349 CD ARG A 107 3.472 -23.768 -23.145 1.00 32.42 C ATOM 1350 NE ARG A 107 2.163 -23.723 -23.791 1.00 11.42 N ATOM 1351 CZ ARG A 107 1.917 -23.045 -24.906 1.00 54.12 C ATOM 1352 NH1 ARG A 107 2.886 -22.358 -25.497 1.00 21.53 N ATOM 1353 NH2 ARG A 107 0.699 -23.051 -25.433 1.00 64.44 N ATOM 0 H ARG A 107 6.432 -25.040 -19.497 1.00 72.02 H new ATOM 0 HA ARG A 107 5.366 -25.662 -22.115 1.00 11.34 H new ATOM 0 HB2 ARG A 107 4.560 -24.170 -19.899 1.00 12.53 H new ATOM 0 HB3 ARG A 107 5.017 -22.936 -21.057 1.00 12.53 H new ATOM 0 HG2 ARG A 107 3.049 -25.192 -21.595 1.00 53.51 H new ATOM 0 HG3 ARG A 107 2.610 -23.544 -21.192 1.00 53.51 H new ATOM 0 HD2 ARG A 107 3.952 -22.793 -23.231 1.00 32.42 H new ATOM 0 HD3 ARG A 107 4.108 -24.484 -23.665 1.00 32.42 H new ATOM 0 HE ARG A 107 1.396 -24.241 -23.362 1.00 11.42 H new ATOM 0 HH11 ARG A 107 3.823 -22.350 -25.095 1.00 21.53 H new ATOM 0 HH12 ARG A 107 2.694 -21.838 -26.353 1.00 21.53 H new ATOM 0 HH21 ARG A 107 -0.049 -23.577 -24.982 1.00 64.44 H new ATOM 0 HH22 ARG A 107 0.511 -22.530 -26.289 1.00 64.44 H new ATOM 1367 N THR A 108 7.461 -23.122 -21.718 1.00 63.12 N ATOM 1368 CA THR A 108 8.419 -22.277 -22.421 1.00 10.42 C ATOM 1369 C THR A 108 9.700 -23.041 -22.734 1.00 51.53 C ATOM 1370 O THR A 108 10.478 -22.639 -23.599 1.00 3.31 O ATOM 1371 CB THR A 108 8.771 -21.023 -21.597 1.00 74.44 C ATOM 1372 OG1 THR A 108 7.659 -20.648 -20.777 1.00 52.32 O ATOM 1373 CG2 THR A 108 9.147 -19.865 -22.510 1.00 25.24 C ATOM 0 H THR A 108 7.367 -22.916 -20.723 1.00 63.12 H new ATOM 0 HA THR A 108 7.946 -21.970 -23.354 1.00 10.42 H new ATOM 0 HB THR A 108 9.626 -21.259 -20.963 1.00 74.44 H new ATOM 0 HG1 THR A 108 7.432 -19.709 -20.943 1.00 52.32 H new ATOM 0 HG21 THR A 108 9.392 -18.991 -21.907 1.00 25.24 H new ATOM 0 HG22 THR A 108 10.011 -20.143 -23.113 1.00 25.24 H new ATOM 0 HG23 THR A 108 8.308 -19.631 -23.165 1.00 25.24 H new ATOM 1381 N PHE A 109 9.914 -24.145 -22.026 1.00 14.01 N ATOM 1382 CA PHE A 109 11.102 -24.966 -22.229 1.00 34.20 C ATOM 1383 C PHE A 109 10.895 -25.948 -23.379 1.00 14.03 C ATOM 1384 O PHE A 109 11.824 -26.244 -24.129 1.00 15.31 O ATOM 1385 CB PHE A 109 11.445 -25.729 -20.948 1.00 41.23 C ATOM 1386 CG PHE A 109 12.355 -24.970 -20.024 1.00 52.35 C ATOM 1387 CD1 PHE A 109 11.950 -23.770 -19.463 1.00 12.11 C ATOM 1388 CD2 PHE A 109 13.615 -25.458 -19.718 1.00 43.31 C ATOM 1389 CE1 PHE A 109 12.786 -23.070 -18.613 1.00 62.10 C ATOM 1390 CE2 PHE A 109 14.456 -24.761 -18.869 1.00 61.44 C ATOM 1391 CZ PHE A 109 14.039 -23.567 -18.315 1.00 3.00 C ATOM 0 H PHE A 109 9.280 -24.492 -21.306 1.00 14.01 H new ATOM 0 HA PHE A 109 11.931 -24.305 -22.484 1.00 34.20 H new ATOM 0 HB2 PHE A 109 10.522 -25.970 -20.420 1.00 41.23 H new ATOM 0 HB3 PHE A 109 11.917 -26.675 -21.213 1.00 41.23 H new ATOM 0 HD1 PHE A 109 10.971 -23.377 -19.692 1.00 12.11 H new ATOM 0 HD2 PHE A 109 13.944 -26.393 -20.147 1.00 43.31 H new ATOM 0 HE1 PHE A 109 12.459 -22.135 -18.182 1.00 62.10 H new ATOM 0 HE2 PHE A 109 15.437 -25.150 -18.640 1.00 61.44 H new ATOM 0 HZ PHE A 109 14.692 -23.023 -17.649 1.00 3.00 H new ATOM 1401 N GLN A 110 9.670 -26.448 -23.509 1.00 34.22 N ATOM 1402 CA GLN A 110 9.341 -27.396 -24.565 1.00 62.41 C ATOM 1403 C GLN A 110 8.936 -26.670 -25.844 1.00 31.03 C ATOM 1404 O GLN A 110 9.447 -26.962 -26.924 1.00 35.20 O ATOM 1405 CB GLN A 110 8.212 -28.325 -24.113 1.00 42.24 C ATOM 1406 CG GLN A 110 8.028 -29.539 -25.009 1.00 31.52 C ATOM 1407 CD GLN A 110 9.288 -30.377 -25.123 1.00 53.53 C ATOM 1408 OE1 GLN A 110 9.703 -30.746 -26.221 1.00 40.35 O ATOM 1409 NE2 GLN A 110 9.902 -30.680 -23.986 1.00 11.34 N ATOM 0 H GLN A 110 8.890 -26.212 -22.896 1.00 34.22 H new ATOM 0 HA GLN A 110 10.231 -27.991 -24.773 1.00 62.41 H new ATOM 0 HB2 GLN A 110 8.415 -28.662 -23.096 1.00 42.24 H new ATOM 0 HB3 GLN A 110 7.279 -27.762 -24.082 1.00 42.24 H new ATOM 0 HG2 GLN A 110 7.220 -30.156 -24.617 1.00 31.52 H new ATOM 0 HG3 GLN A 110 7.724 -29.210 -26.003 1.00 31.52 H new ATOM 0 HE21 GLN A 110 9.522 -30.352 -23.098 1.00 11.34 H new ATOM 0 HE22 GLN A 110 10.754 -31.241 -24.000 1.00 11.34 H new ATOM 1418 N ALA A 111 8.015 -25.721 -25.712 1.00 35.42 N ATOM 1419 CA ALA A 111 7.542 -24.951 -26.856 1.00 22.44 C ATOM 1420 C ALA A 111 8.710 -24.420 -27.679 1.00 54.54 C ATOM 1421 O ALA A 111 8.588 -24.215 -28.888 1.00 21.12 O ATOM 1422 CB ALA A 111 6.657 -23.804 -26.391 1.00 35.50 C ATOM 0 H ALA A 111 7.582 -25.467 -24.824 1.00 35.42 H new ATOM 0 HA ALA A 111 6.954 -25.614 -27.491 1.00 22.44 H new ATOM 0 HB1 ALA A 111 6.311 -23.238 -27.256 1.00 35.50 H new ATOM 0 HB2 ALA A 111 5.798 -24.203 -25.851 1.00 35.50 H new ATOM 0 HB3 ALA A 111 7.227 -23.149 -25.732 1.00 35.50 H new ATOM 1428 N HIS A 112 9.841 -24.196 -27.018 1.00 51.12 N ATOM 1429 CA HIS A 112 11.032 -23.687 -27.690 1.00 73.40 C ATOM 1430 C HIS A 112 11.532 -24.680 -28.735 1.00 54.22 C ATOM 1431 O HIS A 112 11.770 -24.315 -29.886 1.00 1.11 O ATOM 1432 CB HIS A 112 12.136 -23.401 -26.672 1.00 30.25 C ATOM 1433 CG HIS A 112 13.506 -23.343 -27.273 1.00 40.13 C ATOM 1434 ND1 HIS A 112 14.294 -24.460 -27.461 1.00 55.42 N ATOM 1435 CD2 HIS A 112 14.227 -22.294 -27.732 1.00 52.12 C ATOM 1436 CE1 HIS A 112 15.440 -24.099 -28.008 1.00 64.35 C ATOM 1437 NE2 HIS A 112 15.425 -22.790 -28.183 1.00 64.15 N ATOM 0 H HIS A 112 9.958 -24.359 -26.018 1.00 51.12 H new ATOM 0 HA HIS A 112 10.765 -22.758 -28.195 1.00 73.40 H new ATOM 0 HB2 HIS A 112 11.925 -22.453 -26.177 1.00 30.25 H new ATOM 0 HB3 HIS A 112 12.118 -24.173 -25.903 1.00 30.25 H new ATOM 0 HD2 HIS A 112 13.918 -21.259 -27.742 1.00 52.12 H new ATOM 0 HE1 HIS A 112 16.252 -24.762 -28.268 1.00 64.35 H new ATOM 0 HE2 HIS A 112 16.181 -22.237 -28.588 1.00 64.15 H new ATOM 1445 N GLN A 113 11.688 -25.934 -28.325 1.00 64.13 N ATOM 1446 CA GLN A 113 12.162 -26.978 -29.226 1.00 74.55 C ATOM 1447 C GLN A 113 11.000 -27.608 -29.987 1.00 22.30 C ATOM 1448 O GLN A 113 11.201 -28.304 -30.982 1.00 2.32 O ATOM 1449 CB GLN A 113 12.917 -28.054 -28.444 1.00 31.15 C ATOM 1450 CG GLN A 113 12.017 -29.144 -27.885 1.00 61.42 C ATOM 1451 CD GLN A 113 12.769 -30.132 -27.015 1.00 74.32 C ATOM 1452 OE1 GLN A 113 13.551 -30.945 -27.511 1.00 32.33 O ATOM 1453 NE2 GLN A 113 12.536 -30.067 -25.709 1.00 73.53 N ATOM 0 H GLN A 113 11.493 -26.252 -27.376 1.00 64.13 H new ATOM 0 HA GLN A 113 12.840 -26.520 -29.946 1.00 74.55 H new ATOM 0 HB2 GLN A 113 13.663 -28.509 -29.096 1.00 31.15 H new ATOM 0 HB3 GLN A 113 13.457 -27.583 -27.622 1.00 31.15 H new ATOM 0 HG2 GLN A 113 11.218 -28.687 -27.302 1.00 61.42 H new ATOM 0 HG3 GLN A 113 11.544 -29.678 -28.709 1.00 61.42 H new ATOM 0 HE21 GLN A 113 11.880 -29.378 -25.342 1.00 73.53 H new ATOM 0 HE22 GLN A 113 13.013 -30.706 -25.073 1.00 73.53 H new ATOM 1462 N ASN A 114 9.783 -27.360 -29.511 1.00 64.34 N ATOM 1463 CA ASN A 114 8.589 -27.905 -30.147 1.00 21.13 C ATOM 1464 C ASN A 114 8.080 -26.970 -31.240 1.00 21.00 C ATOM 1465 O ASN A 114 7.296 -27.371 -32.098 1.00 53.41 O ATOM 1466 CB ASN A 114 7.492 -28.135 -29.105 1.00 60.11 C ATOM 1467 CG ASN A 114 6.122 -28.295 -29.734 1.00 52.42 C ATOM 1468 OD1 ASN A 114 5.951 -29.047 -30.694 1.00 52.25 O ATOM 1469 ND2 ASN A 114 5.138 -27.585 -29.195 1.00 73.21 N ATOM 0 H ASN A 114 9.598 -26.786 -28.688 1.00 64.34 H new ATOM 0 HA ASN A 114 8.853 -28.859 -30.604 1.00 21.13 H new ATOM 0 HB2 ASN A 114 7.728 -29.026 -28.523 1.00 60.11 H new ATOM 0 HB3 ASN A 114 7.474 -27.296 -28.409 1.00 60.11 H new ATOM 0 HD21 ASN A 114 4.194 -27.650 -29.576 1.00 73.21 H new ATOM 0 HD22 ASN A 114 5.326 -26.974 -28.400 1.00 73.21 H new ATOM 1476 N GLY A 115 8.534 -25.720 -31.200 1.00 53.13 N ATOM 1477 CA GLY A 115 8.114 -24.748 -32.193 1.00 32.13 C ATOM 1478 C GLY A 115 6.840 -24.029 -31.797 1.00 1.35 C ATOM 1479 O GLY A 115 6.370 -23.143 -32.513 1.00 15.03 O ATOM 0 H GLY A 115 9.184 -25.364 -30.499 1.00 53.13 H new ATOM 0 HA2 GLY A 115 8.909 -24.017 -32.341 1.00 32.13 H new ATOM 0 HA3 GLY A 115 7.962 -25.251 -33.148 1.00 32.13 H new ATOM 1483 N LEU A 116 6.278 -24.409 -30.655 1.00 23.43 N ATOM 1484 CA LEU A 116 5.048 -23.796 -30.165 1.00 43.33 C ATOM 1485 C LEU A 116 5.328 -22.424 -29.559 1.00 23.12 C ATOM 1486 O LEU A 116 4.413 -21.626 -29.352 1.00 21.10 O ATOM 1487 CB LEU A 116 4.383 -24.699 -29.125 1.00 31.13 C ATOM 1488 CG LEU A 116 3.311 -24.043 -28.253 1.00 62.54 C ATOM 1489 CD1 LEU A 116 2.199 -23.471 -29.117 1.00 12.42 C ATOM 1490 CD2 LEU A 116 2.752 -25.045 -27.253 1.00 54.34 C ATOM 0 H LEU A 116 6.655 -25.139 -30.050 1.00 23.43 H new ATOM 0 HA LEU A 116 4.373 -23.669 -31.011 1.00 43.33 H new ATOM 0 HB2 LEU A 116 3.933 -25.546 -29.643 1.00 31.13 H new ATOM 0 HB3 LEU A 116 5.158 -25.100 -28.472 1.00 31.13 H new ATOM 0 HG LEU A 116 3.770 -23.224 -27.698 1.00 62.54 H new ATOM 0 HD11 LEU A 116 1.445 -23.008 -28.480 1.00 12.42 H new ATOM 0 HD12 LEU A 116 2.612 -22.722 -29.793 1.00 12.42 H new ATOM 0 HD13 LEU A 116 1.741 -24.272 -29.698 1.00 12.42 H new ATOM 0 HD21 LEU A 116 1.991 -24.562 -26.641 1.00 54.34 H new ATOM 0 HD22 LEU A 116 2.308 -25.884 -27.788 1.00 54.34 H new ATOM 0 HD23 LEU A 116 3.556 -25.407 -26.613 1.00 54.34 H new ATOM 1502 N LEU A 117 6.598 -22.155 -29.279 1.00 41.13 N ATOM 1503 CA LEU A 117 7.000 -20.878 -28.699 1.00 0.21 C ATOM 1504 C LEU A 117 7.276 -19.847 -29.789 1.00 62.40 C ATOM 1505 O LEU A 117 6.785 -18.721 -29.729 1.00 43.44 O ATOM 1506 CB LEU A 117 8.243 -21.060 -27.827 1.00 21.00 C ATOM 1507 CG LEU A 117 8.315 -20.192 -26.570 1.00 43.32 C ATOM 1508 CD1 LEU A 117 7.057 -20.361 -25.732 1.00 1.20 C ATOM 1509 CD2 LEU A 117 9.552 -20.536 -25.753 1.00 71.44 C ATOM 0 H LEU A 117 7.367 -22.804 -29.444 1.00 41.13 H new ATOM 0 HA LEU A 117 6.180 -20.514 -28.080 1.00 0.21 H new ATOM 0 HB2 LEU A 117 8.301 -22.106 -27.526 1.00 21.00 H new ATOM 0 HB3 LEU A 117 9.123 -20.855 -28.437 1.00 21.00 H new ATOM 0 HG LEU A 117 8.386 -19.148 -26.877 1.00 43.32 H new ATOM 0 HD11 LEU A 117 7.126 -19.736 -24.842 1.00 1.20 H new ATOM 0 HD12 LEU A 117 6.187 -20.064 -26.318 1.00 1.20 H new ATOM 0 HD13 LEU A 117 6.955 -21.405 -25.435 1.00 1.20 H new ATOM 0 HD21 LEU A 117 9.586 -19.908 -24.863 1.00 71.44 H new ATOM 0 HD22 LEU A 117 9.512 -21.584 -25.457 1.00 71.44 H new ATOM 0 HD23 LEU A 117 10.445 -20.362 -26.354 1.00 71.44 H new ATOM 1521 N GLN A 118 8.063 -20.243 -30.785 1.00 32.30 N ATOM 1522 CA GLN A 118 8.403 -19.353 -31.889 1.00 30.33 C ATOM 1523 C GLN A 118 7.143 -18.810 -32.557 1.00 24.32 C ATOM 1524 O GLN A 118 7.132 -17.688 -33.062 1.00 53.34 O ATOM 1525 CB GLN A 118 9.263 -20.089 -32.918 1.00 31.44 C ATOM 1526 CG GLN A 118 8.466 -20.994 -33.842 1.00 61.12 C ATOM 1527 CD GLN A 118 9.339 -21.711 -34.853 1.00 64.42 C ATOM 1528 OE1 GLN A 118 10.410 -22.218 -34.517 1.00 63.15 O ATOM 1529 NE2 GLN A 118 8.886 -21.757 -36.100 1.00 52.34 N ATOM 0 H GLN A 118 8.476 -21.173 -30.850 1.00 32.30 H new ATOM 0 HA GLN A 118 8.970 -18.514 -31.486 1.00 30.33 H new ATOM 0 HB2 GLN A 118 9.803 -19.357 -33.518 1.00 31.44 H new ATOM 0 HB3 GLN A 118 10.010 -20.686 -32.394 1.00 31.44 H new ATOM 0 HG2 GLN A 118 7.927 -21.731 -33.246 1.00 61.12 H new ATOM 0 HG3 GLN A 118 7.718 -20.401 -34.369 1.00 61.12 H new ATOM 0 HE21 GLN A 118 7.993 -21.324 -36.335 1.00 52.34 H new ATOM 0 HE22 GLN A 118 9.431 -22.226 -36.824 1.00 52.34 H new ATOM 1538 N LYS A 119 6.086 -19.614 -32.556 1.00 14.22 N ATOM 1539 CA LYS A 119 4.821 -19.215 -33.161 1.00 50.43 C ATOM 1540 C LYS A 119 4.010 -18.346 -32.204 1.00 22.25 C ATOM 1541 O LYS A 119 3.129 -17.595 -32.626 1.00 23.41 O ATOM 1542 CB LYS A 119 4.009 -20.449 -33.557 1.00 71.53 C ATOM 1543 CG LYS A 119 3.717 -21.384 -32.397 1.00 22.05 C ATOM 1544 CD LYS A 119 2.906 -22.590 -32.841 1.00 30.03 C ATOM 1545 CE LYS A 119 1.573 -22.173 -33.444 1.00 11.32 C ATOM 1546 NZ LYS A 119 1.559 -22.336 -34.924 1.00 40.03 N ATOM 0 H LYS A 119 6.080 -20.547 -32.143 1.00 14.22 H new ATOM 0 HA LYS A 119 5.043 -18.632 -34.055 1.00 50.43 H new ATOM 0 HB2 LYS A 119 3.066 -20.126 -33.999 1.00 71.53 H new ATOM 0 HB3 LYS A 119 4.551 -20.998 -34.327 1.00 71.53 H new ATOM 0 HG2 LYS A 119 4.655 -21.719 -31.954 1.00 22.05 H new ATOM 0 HG3 LYS A 119 3.173 -20.844 -31.622 1.00 22.05 H new ATOM 0 HD2 LYS A 119 3.475 -23.163 -33.573 1.00 30.03 H new ATOM 0 HD3 LYS A 119 2.732 -23.247 -31.989 1.00 30.03 H new ATOM 0 HE2 LYS A 119 0.773 -22.770 -33.005 1.00 11.32 H new ATOM 0 HE3 LYS A 119 1.370 -21.132 -33.191 1.00 11.32 H new ATOM 0 HZ1 LYS A 119 0.634 -22.041 -35.297 1.00 40.03 H new ATOM 0 HZ2 LYS A 119 2.306 -21.747 -35.345 1.00 40.03 H new ATOM 0 HZ3 LYS A 119 1.728 -23.334 -35.165 1.00 40.03 H new ATOM 1560 N LEU A 120 4.314 -18.452 -30.916 1.00 1.24 N ATOM 1561 CA LEU A 120 3.615 -17.674 -29.898 1.00 21.21 C ATOM 1562 C LEU A 120 4.186 -16.263 -29.803 1.00 11.43 C ATOM 1563 O LEU A 120 3.442 -15.287 -29.700 1.00 52.42 O ATOM 1564 CB LEU A 120 3.714 -18.369 -28.539 1.00 63.21 C ATOM 1565 CG LEU A 120 2.953 -17.708 -27.389 1.00 51.11 C ATOM 1566 CD1 LEU A 120 3.777 -16.586 -26.779 1.00 24.21 C ATOM 1567 CD2 LEU A 120 1.609 -17.182 -27.873 1.00 30.03 C ATOM 0 H LEU A 120 5.040 -19.069 -30.551 1.00 1.24 H new ATOM 0 HA LEU A 120 2.566 -17.603 -30.187 1.00 21.21 H new ATOM 0 HB2 LEU A 120 3.350 -19.391 -28.649 1.00 63.21 H new ATOM 0 HB3 LEU A 120 4.766 -18.433 -28.262 1.00 63.21 H new ATOM 0 HG LEU A 120 2.772 -18.458 -26.619 1.00 51.11 H new ATOM 0 HD11 LEU A 120 3.219 -16.128 -25.962 1.00 24.21 H new ATOM 0 HD12 LEU A 120 4.714 -16.990 -26.396 1.00 24.21 H new ATOM 0 HD13 LEU A 120 3.989 -15.835 -27.540 1.00 24.21 H new ATOM 0 HD21 LEU A 120 1.081 -16.715 -27.042 1.00 30.03 H new ATOM 0 HD22 LEU A 120 1.769 -16.446 -28.661 1.00 30.03 H new ATOM 0 HD23 LEU A 120 1.014 -18.008 -28.263 1.00 30.03 H new ATOM 1579 N LEU A 121 5.510 -16.162 -29.840 1.00 71.31 N ATOM 1580 CA LEU A 121 6.181 -14.869 -29.762 1.00 32.52 C ATOM 1581 C LEU A 121 5.784 -13.977 -30.933 1.00 3.51 C ATOM 1582 O LEU A 121 5.866 -12.752 -30.847 1.00 43.55 O ATOM 1583 CB LEU A 121 7.698 -15.060 -29.742 1.00 21.42 C ATOM 1584 CG LEU A 121 8.252 -15.916 -28.601 1.00 71.04 C ATOM 1585 CD1 LEU A 121 9.722 -15.605 -28.367 1.00 62.41 C ATOM 1586 CD2 LEU A 121 7.449 -15.693 -27.329 1.00 74.44 C ATOM 0 H LEU A 121 6.140 -16.960 -29.924 1.00 71.31 H new ATOM 0 HA LEU A 121 5.870 -14.382 -28.838 1.00 32.52 H new ATOM 0 HB2 LEU A 121 8.000 -15.511 -30.687 1.00 21.42 H new ATOM 0 HB3 LEU A 121 8.167 -14.077 -29.693 1.00 21.42 H new ATOM 0 HG LEU A 121 8.164 -16.965 -28.883 1.00 71.04 H new ATOM 0 HD11 LEU A 121 10.099 -16.223 -27.552 1.00 62.41 H new ATOM 0 HD12 LEU A 121 10.288 -15.816 -29.275 1.00 62.41 H new ATOM 0 HD13 LEU A 121 9.834 -14.553 -28.106 1.00 62.41 H new ATOM 0 HD21 LEU A 121 7.857 -16.310 -26.528 1.00 74.44 H new ATOM 0 HD22 LEU A 121 7.505 -14.643 -27.043 1.00 74.44 H new ATOM 0 HD23 LEU A 121 6.408 -15.966 -27.503 1.00 74.44 H new