USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 871 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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.82! C(o=-1.8!,f=-7.1!) USER MOD Single : A 12 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.24) USER MOD Single : A 14 TYR OH : rot -132:sc= -2.11! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -16:sc= -5.73! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0906 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00193) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 44 SER OG : rot -58:sc= -11.9! USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0521 USER MOD Single : A 57 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-0.7) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-1.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0837 X(o=-0.084,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -170:sc= 0.316 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.883 F(o=-2.5!,f=-0.88) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.316 -4.706 3.058 1.00 0.18 N ATOM 45 CA VAL A 4 7.603 -4.602 2.318 1.00 0.31 C ATOM 46 C VAL A 4 8.470 -5.863 2.506 1.00 0.12 C ATOM 47 O VAL A 4 8.630 -6.357 3.599 1.00 0.36 O ATOM 48 CB VAL A 4 8.339 -3.415 2.907 1.00 0.67 C ATOM 49 CG1 VAL A 4 7.320 -2.324 3.231 1.00 2.41 C ATOM 50 CG2 VAL A 4 9.032 -3.834 4.201 1.00 1.12 C ATOM 0 HA VAL A 4 7.409 -4.491 1.251 1.00 0.31 H new ATOM 0 HB VAL A 4 9.080 -3.051 2.195 1.00 0.67 H new ATOM 0 HG11 VAL A 4 7.833 -1.462 3.656 1.00 2.41 H new ATOM 0 HG12 VAL A 4 6.804 -2.026 2.318 1.00 2.41 H new ATOM 0 HG13 VAL A 4 6.595 -2.705 3.950 1.00 2.41 H new ATOM 0 HG21 VAL A 4 9.561 -2.980 4.624 1.00 1.12 H new ATOM 0 HG22 VAL A 4 8.288 -4.189 4.914 1.00 1.12 H new ATOM 0 HG23 VAL A 4 9.743 -4.633 3.991 1.00 1.12 H new ATOM 60 N LEU A 5 9.072 -6.346 1.448 1.00 0.25 N ATOM 61 CA LEU A 5 9.992 -7.531 1.549 1.00 0.37 C ATOM 62 C LEU A 5 9.335 -8.749 2.234 1.00 0.22 C ATOM 63 O LEU A 5 8.476 -8.616 3.082 1.00 0.14 O ATOM 64 CB LEU A 5 11.224 -7.096 2.337 1.00 0.52 C ATOM 65 CG LEU A 5 11.484 -5.602 2.085 1.00 0.61 C ATOM 66 CD1 LEU A 5 12.821 -5.202 2.710 1.00 0.71 C ATOM 67 CD2 LEU A 5 11.521 -5.312 0.577 1.00 0.68 C ATOM 0 H LEU A 5 8.967 -5.969 0.506 1.00 0.25 H new ATOM 0 HA LEU A 5 10.252 -7.852 0.540 1.00 0.37 H new ATOM 0 HB2 LEU A 5 11.072 -7.276 3.401 1.00 0.52 H new ATOM 0 HB3 LEU A 5 12.090 -7.684 2.034 1.00 0.52 H new ATOM 0 HG LEU A 5 10.677 -5.025 2.537 1.00 0.61 H new ATOM 0 HD11 LEU A 5 13.004 -4.143 2.531 1.00 0.71 H new ATOM 0 HD12 LEU A 5 12.791 -5.388 3.784 1.00 0.71 H new ATOM 0 HD13 LEU A 5 13.622 -5.790 2.262 1.00 0.71 H new ATOM 0 HD21 LEU A 5 11.706 -4.250 0.415 1.00 0.68 H new ATOM 0 HD22 LEU A 5 12.318 -5.894 0.114 1.00 0.68 H new ATOM 0 HD23 LEU A 5 10.565 -5.586 0.130 1.00 0.68 H new ATOM 79 N GLU A 6 9.741 -9.946 1.840 1.00 0.21 N ATOM 80 CA GLU A 6 9.158 -11.201 2.424 1.00 0.18 C ATOM 81 C GLU A 6 10.248 -12.276 2.655 1.00 0.17 C ATOM 82 O GLU A 6 11.265 -12.303 1.991 1.00 0.17 O ATOM 83 CB GLU A 6 8.099 -11.743 1.464 1.00 0.34 C ATOM 84 CG GLU A 6 8.738 -12.011 0.098 1.00 0.63 C ATOM 85 CD GLU A 6 8.268 -10.952 -0.902 1.00 2.58 C ATOM 86 OE1 GLU A 6 7.852 -9.892 -0.464 1.00 3.83 O ATOM 87 OE2 GLU A 6 8.333 -11.219 -2.092 1.00 2.85 O ATOM 0 H GLU A 6 10.458 -10.102 1.132 1.00 0.21 H new ATOM 0 HA GLU A 6 8.713 -10.963 3.390 1.00 0.18 H new ATOM 0 HB2 GLU A 6 7.668 -12.661 1.862 1.00 0.34 H new ATOM 0 HB3 GLU A 6 7.284 -11.026 1.362 1.00 0.34 H new ATOM 0 HG2 GLU A 6 9.825 -11.990 0.182 1.00 0.63 H new ATOM 0 HG3 GLU A 6 8.465 -13.006 -0.254 1.00 0.63 H new ATOM 94 N ASN A 7 10.029 -13.157 3.612 1.00 0.24 N ATOM 95 CA ASN A 7 11.021 -14.243 3.933 1.00 0.29 C ATOM 96 C ASN A 7 10.854 -15.440 2.994 1.00 0.38 C ATOM 97 O ASN A 7 10.253 -16.439 3.339 1.00 0.50 O ATOM 98 CB ASN A 7 10.798 -14.725 5.369 1.00 0.39 C ATOM 99 CG ASN A 7 9.400 -15.330 5.505 1.00 0.52 C ATOM 100 OD1 ASN A 7 8.413 -14.691 5.202 1.00 0.73 O ATOM 101 ND2 ASN A 7 9.276 -16.548 5.956 1.00 0.40 N ATOM 0 H ASN A 7 9.191 -13.168 4.193 1.00 0.24 H new ATOM 0 HA ASN A 7 12.023 -13.831 3.811 1.00 0.29 H new ATOM 0 HB2 ASN A 7 11.552 -15.466 5.634 1.00 0.39 H new ATOM 0 HB3 ASN A 7 10.912 -13.892 6.063 1.00 0.39 H new ATOM 0 HD21 ASN A 7 8.350 -16.964 6.054 1.00 0.40 H new ATOM 0 HD22 ASN A 7 10.105 -17.085 6.210 1.00 0.40 H new ATOM 108 N ARG A 8 11.381 -15.343 1.815 1.00 0.37 N ATOM 109 CA ARG A 8 11.264 -16.469 0.837 1.00 0.49 C ATOM 110 C ARG A 8 12.255 -17.608 1.122 1.00 0.45 C ATOM 111 O ARG A 8 11.936 -18.765 0.974 1.00 0.53 O ATOM 112 CB ARG A 8 11.584 -15.955 -0.561 1.00 0.58 C ATOM 113 CG ARG A 8 11.602 -17.143 -1.525 1.00 0.73 C ATOM 114 CD ARG A 8 10.685 -16.856 -2.712 1.00 0.69 C ATOM 115 NE ARG A 8 11.365 -15.916 -3.646 1.00 1.43 N ATOM 116 CZ ARG A 8 10.669 -15.252 -4.527 1.00 2.04 C ATOM 117 NH1 ARG A 8 9.696 -15.838 -5.168 1.00 2.57 N ATOM 118 NH2 ARG A 8 10.950 -14.001 -4.769 1.00 2.63 N ATOM 0 H ARG A 8 11.894 -14.529 1.476 1.00 0.37 H new ATOM 0 HA ARG A 8 10.246 -16.849 0.923 1.00 0.49 H new ATOM 0 HB2 ARG A 8 10.839 -15.224 -0.875 1.00 0.58 H new ATOM 0 HB3 ARG A 8 12.549 -15.449 -0.566 1.00 0.58 H new ATOM 0 HG2 ARG A 8 12.618 -17.325 -1.874 1.00 0.73 H new ATOM 0 HG3 ARG A 8 11.275 -18.046 -1.010 1.00 0.73 H new ATOM 0 HD2 ARG A 8 10.438 -17.784 -3.228 1.00 0.69 H new ATOM 0 HD3 ARG A 8 9.746 -16.425 -2.365 1.00 0.69 H new ATOM 0 HE ARG A 8 12.376 -15.791 -3.597 1.00 1.43 H new ATOM 0 HH11 ARG A 8 9.478 -16.817 -4.981 1.00 2.57 H new ATOM 0 HH12 ARG A 8 9.153 -15.318 -5.857 1.00 2.57 H new ATOM 0 HH21 ARG A 8 11.713 -13.544 -4.270 1.00 2.63 H new ATOM 0 HH22 ARG A 8 10.407 -13.480 -5.458 1.00 2.63 H new ATOM 132 N ARG A 9 13.477 -17.281 1.431 1.00 0.33 N ATOM 133 CA ARG A 9 14.529 -18.333 1.615 1.00 0.28 C ATOM 134 C ARG A 9 14.240 -19.336 2.740 1.00 0.27 C ATOM 135 O ARG A 9 14.615 -20.482 2.634 1.00 0.26 O ATOM 136 CB ARG A 9 15.867 -17.653 1.901 1.00 0.24 C ATOM 137 CG ARG A 9 16.432 -18.172 3.225 1.00 1.44 C ATOM 138 CD ARG A 9 17.824 -17.585 3.453 1.00 1.30 C ATOM 139 NE ARG A 9 18.726 -18.021 2.351 1.00 1.20 N ATOM 140 CZ ARG A 9 19.983 -18.273 2.593 1.00 1.30 C ATOM 141 NH1 ARG A 9 20.526 -17.882 3.714 1.00 2.14 N ATOM 142 NH2 ARG A 9 20.701 -18.911 1.709 1.00 2.23 N ATOM 0 H ARG A 9 13.801 -16.323 1.566 1.00 0.33 H new ATOM 0 HA ARG A 9 14.546 -18.906 0.688 1.00 0.28 H new ATOM 0 HB2 ARG A 9 16.569 -17.853 1.091 1.00 0.24 H new ATOM 0 HB3 ARG A 9 15.735 -16.572 1.949 1.00 0.24 H new ATOM 0 HG2 ARG A 9 15.771 -17.897 4.047 1.00 1.44 H new ATOM 0 HG3 ARG A 9 16.484 -19.261 3.208 1.00 1.44 H new ATOM 0 HD2 ARG A 9 17.772 -16.497 3.487 1.00 1.30 H new ATOM 0 HD3 ARG A 9 18.218 -17.916 4.414 1.00 1.30 H new ATOM 0 HE ARG A 9 18.360 -18.123 1.404 1.00 1.20 H new ATOM 0 HH11 ARG A 9 19.967 -17.378 4.403 1.00 2.14 H new ATOM 0 HH12 ARG A 9 21.509 -18.080 3.901 1.00 2.14 H new ATOM 0 HH21 ARG A 9 20.279 -19.212 0.830 1.00 2.23 H new ATOM 0 HH22 ARG A 9 21.684 -19.109 1.897 1.00 2.23 H new ATOM 156 N ALA A 10 13.654 -18.939 3.830 1.00 0.33 N ATOM 157 CA ALA A 10 13.439 -19.920 4.932 1.00 0.35 C ATOM 158 C ALA A 10 12.111 -20.645 4.785 1.00 0.48 C ATOM 159 O ALA A 10 12.037 -21.849 4.939 1.00 0.46 O ATOM 160 CB ALA A 10 13.490 -19.199 6.280 1.00 0.44 C ATOM 0 H ALA A 10 13.318 -17.993 4.008 1.00 0.33 H new ATOM 0 HA ALA A 10 14.233 -20.665 4.880 1.00 0.35 H new ATOM 0 HB1 ALA A 10 13.333 -19.918 7.084 1.00 0.44 H new ATOM 0 HB2 ALA A 10 14.464 -18.725 6.403 1.00 0.44 H new ATOM 0 HB3 ALA A 10 12.710 -18.439 6.316 1.00 0.44 H new ATOM 166 N ARG A 11 11.064 -19.948 4.484 1.00 0.60 N ATOM 167 CA ARG A 11 9.766 -20.642 4.325 1.00 0.75 C ATOM 168 C ARG A 11 9.824 -21.463 3.045 1.00 0.76 C ATOM 169 O ARG A 11 9.178 -22.482 2.909 1.00 0.85 O ATOM 170 CB ARG A 11 8.641 -19.613 4.225 1.00 0.87 C ATOM 171 CG ARG A 11 7.304 -20.339 4.076 1.00 1.40 C ATOM 172 CD ARG A 11 6.705 -20.026 2.705 1.00 3.10 C ATOM 173 NE ARG A 11 6.296 -21.294 2.042 1.00 3.70 N ATOM 174 CZ ARG A 11 5.305 -21.296 1.195 1.00 4.59 C ATOM 175 NH1 ARG A 11 5.423 -20.676 0.053 1.00 6.75 N ATOM 176 NH2 ARG A 11 4.197 -21.917 1.491 1.00 3.77 N ATOM 0 H ARG A 11 11.047 -18.938 4.342 1.00 0.60 H new ATOM 0 HA ARG A 11 9.575 -21.288 5.182 1.00 0.75 H new ATOM 0 HB2 ARG A 11 8.629 -18.983 5.114 1.00 0.87 H new ATOM 0 HB3 ARG A 11 8.808 -18.956 3.371 1.00 0.87 H new ATOM 0 HG2 ARG A 11 7.447 -21.414 4.185 1.00 1.40 H new ATOM 0 HG3 ARG A 11 6.619 -20.027 4.864 1.00 1.40 H new ATOM 0 HD2 ARG A 11 5.844 -19.366 2.814 1.00 3.10 H new ATOM 0 HD3 ARG A 11 7.434 -19.500 2.089 1.00 3.10 H new ATOM 0 HE ARG A 11 6.791 -22.161 2.250 1.00 3.70 H new ATOM 0 HH11 ARG A 11 6.290 -20.190 -0.176 1.00 6.75 H new ATOM 0 HH12 ARG A 11 4.648 -20.677 -0.610 1.00 6.75 H new ATOM 0 HH21 ARG A 11 4.106 -22.401 2.385 1.00 3.77 H new ATOM 0 HH22 ARG A 11 3.421 -21.919 0.829 1.00 3.77 H new ATOM 190 N HIS A 12 10.600 -21.011 2.100 1.00 0.70 N ATOM 191 CA HIS A 12 10.713 -21.748 0.811 1.00 0.76 C ATOM 192 C HIS A 12 11.909 -22.695 0.814 1.00 0.71 C ATOM 193 O HIS A 12 11.863 -23.768 0.247 1.00 0.83 O ATOM 194 CB HIS A 12 10.893 -20.756 -0.340 1.00 0.76 C ATOM 195 CG HIS A 12 10.687 -21.474 -1.646 1.00 1.04 C ATOM 196 ND1 HIS A 12 9.619 -22.333 -1.858 1.00 1.83 N ATOM 197 CD2 HIS A 12 11.411 -21.481 -2.812 1.00 2.17 C ATOM 198 CE1 HIS A 12 9.732 -22.817 -3.109 1.00 1.74 C ATOM 199 NE2 HIS A 12 10.806 -22.330 -3.735 1.00 1.84 N ATOM 0 H HIS A 12 11.162 -20.162 2.165 1.00 0.70 H new ATOM 0 HA HIS A 12 9.798 -22.327 0.683 1.00 0.76 H new ATOM 0 HB2 HIS A 12 10.180 -19.937 -0.245 1.00 0.76 H new ATOM 0 HB3 HIS A 12 11.890 -20.317 -0.306 1.00 0.76 H new ATOM 0 HD2 HIS A 12 12.313 -20.914 -2.987 1.00 2.17 H new ATOM 0 HE1 HIS A 12 9.038 -23.515 -3.553 1.00 1.74 H new ATOM 0 HE2 HIS A 12 11.116 -22.536 -4.685 1.00 1.84 H new ATOM 207 N ASP A 13 13.012 -22.265 1.361 1.00 0.55 N ATOM 208 CA ASP A 13 14.238 -23.107 1.287 1.00 0.56 C ATOM 209 C ASP A 13 14.723 -23.672 2.629 1.00 0.45 C ATOM 210 O ASP A 13 15.296 -24.745 2.646 1.00 0.53 O ATOM 211 CB ASP A 13 15.363 -22.267 0.679 1.00 0.55 C ATOM 212 CG ASP A 13 16.237 -23.144 -0.219 1.00 0.83 C ATOM 213 OD1 ASP A 13 16.154 -24.355 -0.093 1.00 0.68 O ATOM 214 OD2 ASP A 13 16.976 -22.591 -1.017 1.00 1.25 O ATOM 0 H ASP A 13 13.117 -21.377 1.851 1.00 0.55 H new ATOM 0 HA ASP A 13 13.974 -23.971 0.677 1.00 0.56 H new ATOM 0 HB2 ASP A 13 14.943 -21.444 0.101 1.00 0.55 H new ATOM 0 HB3 ASP A 13 15.968 -21.825 1.471 1.00 0.55 H new ATOM 219 N TYR A 14 14.598 -23.000 3.746 1.00 0.31 N ATOM 220 CA TYR A 14 15.195 -23.644 4.964 1.00 0.26 C ATOM 221 C TYR A 14 14.446 -23.355 6.291 1.00 0.30 C ATOM 222 O TYR A 14 13.772 -22.356 6.448 1.00 0.33 O ATOM 223 CB TYR A 14 16.655 -23.175 5.081 1.00 0.20 C ATOM 224 CG TYR A 14 17.344 -24.081 6.048 1.00 0.19 C ATOM 225 CD1 TYR A 14 17.238 -23.790 7.392 1.00 0.21 C ATOM 226 CD2 TYR A 14 18.030 -25.234 5.622 1.00 0.29 C ATOM 227 CE1 TYR A 14 17.798 -24.654 8.339 1.00 0.22 C ATOM 228 CE2 TYR A 14 18.601 -26.087 6.566 1.00 0.28 C ATOM 229 CZ TYR A 14 18.476 -25.803 7.927 1.00 0.19 C ATOM 230 OH TYR A 14 19.008 -26.669 8.860 1.00 0.19 O ATOM 0 H TYR A 14 14.143 -22.096 3.871 1.00 0.31 H new ATOM 0 HA TYR A 14 15.114 -24.722 4.823 1.00 0.26 H new ATOM 0 HB2 TYR A 14 17.147 -23.207 4.109 1.00 0.20 H new ATOM 0 HB3 TYR A 14 16.699 -22.142 5.426 1.00 0.20 H new ATOM 0 HD1 TYR A 14 16.723 -22.896 7.713 1.00 0.21 H new ATOM 0 HD2 TYR A 14 18.114 -25.457 4.569 1.00 0.29 H new ATOM 0 HE1 TYR A 14 17.706 -24.432 9.392 1.00 0.22 H new ATOM 0 HE2 TYR A 14 19.139 -26.966 6.244 1.00 0.28 H new ATOM 0 HH TYR A 14 19.933 -26.882 8.618 1.00 0.19 H new ATOM 240 N GLU A 15 14.614 -24.254 7.261 1.00 0.30 N ATOM 241 CA GLU A 15 13.984 -24.107 8.629 1.00 0.36 C ATOM 242 C GLU A 15 14.892 -23.204 9.463 1.00 0.32 C ATOM 243 O GLU A 15 16.067 -23.371 9.487 1.00 0.27 O ATOM 244 CB GLU A 15 13.913 -25.476 9.298 1.00 0.41 C ATOM 245 CG GLU A 15 13.656 -25.292 10.792 1.00 0.48 C ATOM 246 CD GLU A 15 12.809 -26.456 11.310 1.00 0.78 C ATOM 247 OE1 GLU A 15 11.749 -26.687 10.752 1.00 1.48 O ATOM 248 OE2 GLU A 15 13.233 -27.096 12.260 1.00 1.15 O ATOM 0 H GLU A 15 15.175 -25.099 7.153 1.00 0.30 H new ATOM 0 HA GLU A 15 12.982 -23.687 8.545 1.00 0.36 H new ATOM 0 HB2 GLU A 15 13.117 -26.072 8.851 1.00 0.41 H new ATOM 0 HB3 GLU A 15 14.845 -26.019 9.141 1.00 0.41 H new ATOM 0 HG2 GLU A 15 14.602 -25.248 11.332 1.00 0.48 H new ATOM 0 HG3 GLU A 15 13.143 -24.347 10.970 1.00 0.48 H new ATOM 255 N ILE A 16 14.413 -22.210 10.104 1.00 0.35 N ATOM 256 CA ILE A 16 15.399 -21.330 10.776 1.00 0.33 C ATOM 257 C ILE A 16 15.824 -21.708 12.205 1.00 0.37 C ATOM 258 O ILE A 16 15.047 -21.851 13.128 1.00 0.43 O ATOM 259 CB ILE A 16 14.926 -19.907 10.637 1.00 0.29 C ATOM 260 CG1 ILE A 16 15.286 -19.475 9.203 1.00 0.18 C ATOM 261 CG2 ILE A 16 15.613 -19.010 11.667 1.00 0.32 C ATOM 262 CD1 ILE A 16 16.769 -19.731 8.939 1.00 0.11 C ATOM 0 H ILE A 16 13.428 -21.962 10.200 1.00 0.35 H new ATOM 0 HA ILE A 16 16.348 -21.473 10.258 1.00 0.33 H new ATOM 0 HB ILE A 16 13.854 -19.823 10.814 1.00 0.29 H new ATOM 0 HG12 ILE A 16 14.679 -20.027 8.485 1.00 0.18 H new ATOM 0 HG13 ILE A 16 15.060 -18.418 9.065 1.00 0.18 H new ATOM 0 HG21 ILE A 16 15.259 -17.986 11.551 1.00 0.32 H new ATOM 0 HG22 ILE A 16 15.379 -19.364 12.671 1.00 0.32 H new ATOM 0 HG23 ILE A 16 16.692 -19.040 11.514 1.00 0.32 H new ATOM 0 HD11 ILE A 16 17.016 -19.423 7.923 1.00 0.11 H new ATOM 0 HD12 ILE A 16 17.369 -19.159 9.647 1.00 0.11 H new ATOM 0 HD13 ILE A 16 16.982 -20.793 9.058 1.00 0.11 H new ATOM 274 N LEU A 17 17.124 -21.864 12.311 1.00 0.36 N ATOM 275 CA LEU A 17 17.861 -22.237 13.552 1.00 0.39 C ATOM 276 C LEU A 17 17.946 -21.080 14.583 1.00 0.35 C ATOM 277 O LEU A 17 17.330 -21.134 15.630 1.00 0.37 O ATOM 278 CB LEU A 17 19.266 -22.542 13.045 1.00 0.42 C ATOM 279 CG LEU A 17 20.030 -23.507 13.931 1.00 0.37 C ATOM 280 CD1 LEU A 17 21.500 -23.450 13.496 1.00 0.56 C ATOM 281 CD2 LEU A 17 19.904 -23.073 15.394 1.00 0.67 C ATOM 0 H LEU A 17 17.747 -21.734 11.514 1.00 0.36 H new ATOM 0 HA LEU A 17 17.364 -23.058 14.069 1.00 0.39 H new ATOM 0 HB2 LEU A 17 19.199 -22.958 12.040 1.00 0.42 H new ATOM 0 HB3 LEU A 17 19.826 -21.610 12.967 1.00 0.42 H new ATOM 0 HG LEU A 17 19.636 -24.519 13.838 1.00 0.37 H new ATOM 0 HD11 LEU A 17 22.088 -24.132 14.110 1.00 0.56 H new ATOM 0 HD12 LEU A 17 21.581 -23.743 12.449 1.00 0.56 H new ATOM 0 HD13 LEU A 17 21.877 -22.435 13.619 1.00 0.56 H new ATOM 0 HD21 LEU A 17 20.454 -23.768 16.028 1.00 0.67 H new ATOM 0 HD22 LEU A 17 20.315 -22.070 15.513 1.00 0.67 H new ATOM 0 HD23 LEU A 17 18.853 -23.071 15.684 1.00 0.67 H new ATOM 293 N GLU A 18 18.740 -20.054 14.310 1.00 0.31 N ATOM 294 CA GLU A 18 18.900 -18.921 15.299 1.00 0.33 C ATOM 295 C GLU A 18 18.105 -17.690 14.813 1.00 0.54 C ATOM 296 O GLU A 18 17.851 -17.544 13.643 1.00 0.89 O ATOM 297 CB GLU A 18 20.409 -18.600 15.493 1.00 0.28 C ATOM 298 CG GLU A 18 20.624 -18.023 16.894 1.00 0.27 C ATOM 299 CD GLU A 18 20.391 -19.106 17.954 1.00 0.29 C ATOM 300 OE1 GLU A 18 19.250 -19.491 18.144 1.00 1.57 O ATOM 301 OE2 GLU A 18 21.360 -19.522 18.568 1.00 1.01 O ATOM 0 H GLU A 18 19.280 -19.954 13.451 1.00 0.31 H new ATOM 0 HA GLU A 18 18.498 -19.214 16.269 1.00 0.33 H new ATOM 0 HB2 GLU A 18 21.005 -19.503 15.363 1.00 0.28 H new ATOM 0 HB3 GLU A 18 20.742 -17.888 14.738 1.00 0.28 H new ATOM 0 HG2 GLU A 18 21.637 -17.630 16.982 1.00 0.27 H new ATOM 0 HG3 GLU A 18 19.943 -17.189 17.060 1.00 0.27 H new ATOM 308 N THR A 19 17.645 -16.830 15.703 1.00 0.46 N ATOM 309 CA THR A 19 16.813 -15.658 15.239 1.00 0.67 C ATOM 310 C THR A 19 17.198 -14.339 15.937 1.00 0.45 C ATOM 311 O THR A 19 17.626 -14.334 17.073 1.00 0.38 O ATOM 312 CB THR A 19 15.337 -15.951 15.532 1.00 1.02 C ATOM 313 OG1 THR A 19 15.143 -16.022 16.938 1.00 1.11 O ATOM 314 CG2 THR A 19 14.929 -17.282 14.893 1.00 1.01 C ATOM 0 H THR A 19 17.804 -16.885 16.709 1.00 0.46 H new ATOM 0 HA THR A 19 16.995 -15.533 14.172 1.00 0.67 H new ATOM 0 HB THR A 19 14.723 -15.153 15.114 1.00 1.02 H new ATOM 0 HG1 THR A 19 14.200 -16.208 17.129 1.00 1.11 H new ATOM 0 HG21 THR A 19 13.879 -17.481 15.107 1.00 1.01 H new ATOM 0 HG22 THR A 19 15.076 -17.228 13.814 1.00 1.01 H new ATOM 0 HG23 THR A 19 15.541 -18.085 15.303 1.00 1.01 H new ATOM 322 N TYR A 20 16.952 -13.209 15.298 1.00 0.39 N ATOM 323 CA TYR A 20 17.213 -11.891 15.969 1.00 0.22 C ATOM 324 C TYR A 20 16.129 -10.895 15.630 1.00 0.26 C ATOM 325 O TYR A 20 15.409 -11.016 14.661 1.00 0.39 O ATOM 326 CB TYR A 20 18.625 -11.322 15.708 1.00 0.17 C ATOM 327 CG TYR A 20 18.904 -10.812 14.303 1.00 0.13 C ATOM 328 CD1 TYR A 20 17.955 -10.135 13.517 1.00 0.22 C ATOM 329 CD2 TYR A 20 20.194 -11.016 13.804 1.00 0.11 C ATOM 330 CE1 TYR A 20 18.314 -9.673 12.240 1.00 0.23 C ATOM 331 CE2 TYR A 20 20.551 -10.566 12.534 1.00 0.20 C ATOM 332 CZ TYR A 20 19.609 -9.892 11.748 1.00 0.23 C ATOM 333 OH TYR A 20 19.955 -9.429 10.496 1.00 0.32 O ATOM 0 H TYR A 20 16.585 -13.146 14.348 1.00 0.39 H new ATOM 0 HA TYR A 20 17.184 -12.083 17.042 1.00 0.22 H new ATOM 0 HB2 TYR A 20 18.798 -10.504 16.408 1.00 0.17 H new ATOM 0 HB3 TYR A 20 19.354 -12.099 15.939 1.00 0.17 H new ATOM 0 HD1 TYR A 20 16.956 -9.971 13.893 1.00 0.22 H new ATOM 0 HD2 TYR A 20 20.924 -11.530 14.411 1.00 0.11 H new ATOM 0 HE1 TYR A 20 17.590 -9.147 11.635 1.00 0.23 H new ATOM 0 HE2 TYR A 20 21.549 -10.736 12.158 1.00 0.20 H new ATOM 0 HH TYR A 20 19.143 -9.210 9.993 1.00 0.32 H new ATOM 343 N GLU A 21 15.981 -9.938 16.480 1.00 0.26 N ATOM 344 CA GLU A 21 14.927 -8.921 16.310 1.00 0.31 C ATOM 345 C GLU A 21 15.572 -7.544 16.139 1.00 0.25 C ATOM 346 O GLU A 21 16.234 -7.041 17.025 1.00 0.38 O ATOM 347 CB GLU A 21 14.082 -8.968 17.572 1.00 0.43 C ATOM 348 CG GLU A 21 12.631 -9.302 17.213 1.00 0.49 C ATOM 349 CD GLU A 21 11.832 -8.008 17.038 1.00 2.08 C ATOM 350 OE1 GLU A 21 11.790 -7.229 17.976 1.00 2.18 O ATOM 351 OE2 GLU A 21 11.273 -7.821 15.970 1.00 3.76 O ATOM 0 H GLU A 21 16.562 -9.813 17.309 1.00 0.26 H new ATOM 0 HA GLU A 21 14.314 -9.110 15.429 1.00 0.31 H new ATOM 0 HB2 GLU A 21 14.478 -9.717 18.258 1.00 0.43 H new ATOM 0 HB3 GLU A 21 14.127 -8.008 18.087 1.00 0.43 H new ATOM 0 HG2 GLU A 21 12.599 -9.888 16.294 1.00 0.49 H new ATOM 0 HG3 GLU A 21 12.184 -9.914 17.997 1.00 0.49 H new ATOM 358 N ALA A 22 15.398 -6.941 14.996 1.00 0.24 N ATOM 359 CA ALA A 22 16.014 -5.610 14.750 1.00 0.17 C ATOM 360 C ALA A 22 14.924 -4.543 14.634 1.00 0.33 C ATOM 361 O ALA A 22 13.758 -4.841 14.471 1.00 0.48 O ATOM 362 CB ALA A 22 16.809 -5.664 13.444 1.00 0.23 C ATOM 0 H ALA A 22 14.853 -7.316 14.219 1.00 0.24 H new ATOM 0 HA ALA A 22 16.674 -5.357 15.580 1.00 0.17 H new ATOM 0 HB1 ALA A 22 17.265 -4.692 13.255 1.00 0.23 H new ATOM 0 HB2 ALA A 22 17.589 -6.421 13.524 1.00 0.23 H new ATOM 0 HB3 ALA A 22 16.140 -5.917 12.621 1.00 0.23 H new ATOM 368 N GLY A 23 15.305 -3.296 14.694 1.00 0.31 N ATOM 369 CA GLY A 23 14.318 -2.195 14.563 1.00 0.46 C ATOM 370 C GLY A 23 14.777 -1.327 13.404 1.00 0.38 C ATOM 371 O GLY A 23 15.658 -0.504 13.546 1.00 0.31 O ATOM 0 H GLY A 23 16.270 -2.993 14.830 1.00 0.31 H new ATOM 0 HA2 GLY A 23 13.320 -2.591 14.377 1.00 0.46 H new ATOM 0 HA3 GLY A 23 14.264 -1.613 15.483 1.00 0.46 H new ATOM 375 N ILE A 24 14.230 -1.534 12.243 1.00 0.41 N ATOM 376 CA ILE A 24 14.703 -0.741 11.070 1.00 0.39 C ATOM 377 C ILE A 24 13.757 0.438 10.831 1.00 0.40 C ATOM 378 O ILE A 24 12.605 0.265 10.505 1.00 0.46 O ATOM 379 CB ILE A 24 14.720 -1.645 9.837 1.00 0.47 C ATOM 380 CG1 ILE A 24 15.861 -2.649 9.931 1.00 0.41 C ATOM 381 CG2 ILE A 24 14.941 -0.795 8.595 1.00 0.53 C ATOM 382 CD1 ILE A 24 16.224 -2.864 11.390 1.00 0.37 C ATOM 0 H ILE A 24 13.487 -2.206 12.052 1.00 0.41 H new ATOM 0 HA ILE A 24 15.706 -0.359 11.262 1.00 0.39 H new ATOM 0 HB ILE A 24 13.768 -2.174 9.781 1.00 0.47 H new ATOM 0 HG12 ILE A 24 15.567 -3.594 9.475 1.00 0.41 H new ATOM 0 HG13 ILE A 24 16.727 -2.285 9.379 1.00 0.41 H new ATOM 0 HG21 ILE A 24 14.954 -1.436 7.713 1.00 0.53 H new ATOM 0 HG22 ILE A 24 14.134 -0.068 8.503 1.00 0.53 H new ATOM 0 HG23 ILE A 24 15.894 -0.272 8.677 1.00 0.53 H new ATOM 0 HD11 ILE A 24 17.041 -3.583 11.460 1.00 0.37 H new ATOM 0 HD12 ILE A 24 16.535 -1.917 11.831 1.00 0.37 H new ATOM 0 HD13 ILE A 24 15.357 -3.247 11.928 1.00 0.37 H new ATOM 394 N ALA A 25 14.235 1.639 10.984 1.00 0.36 N ATOM 395 CA ALA A 25 13.337 2.825 10.742 1.00 0.37 C ATOM 396 C ALA A 25 13.558 3.370 9.344 1.00 0.25 C ATOM 397 O ALA A 25 14.527 3.074 8.676 1.00 0.29 O ATOM 398 CB ALA A 25 13.557 3.935 11.740 1.00 0.56 C ATOM 0 H ALA A 25 15.191 1.860 11.261 1.00 0.36 H new ATOM 0 HA ALA A 25 12.313 2.469 10.857 1.00 0.37 H new ATOM 0 HB1 ALA A 25 12.884 4.763 11.518 1.00 0.56 H new ATOM 0 HB2 ALA A 25 13.357 3.565 12.746 1.00 0.56 H new ATOM 0 HB3 ALA A 25 14.589 4.280 11.679 1.00 0.56 H new ATOM 404 N LEU A 26 12.607 4.114 8.891 1.00 0.18 N ATOM 405 CA LEU A 26 12.632 4.659 7.529 1.00 0.10 C ATOM 406 C LEU A 26 12.562 6.187 7.523 1.00 0.16 C ATOM 407 O LEU A 26 11.976 6.798 8.393 1.00 0.23 O ATOM 408 CB LEU A 26 11.421 4.088 6.787 1.00 0.13 C ATOM 409 CG LEU A 26 10.287 3.775 7.788 1.00 0.24 C ATOM 410 CD1 LEU A 26 9.017 3.449 7.011 1.00 0.41 C ATOM 411 CD2 LEU A 26 10.646 2.571 8.686 1.00 0.30 C ATOM 0 H LEU A 26 11.783 4.375 9.433 1.00 0.18 H new ATOM 0 HA LEU A 26 13.569 4.380 7.047 1.00 0.10 H new ATOM 0 HB2 LEU A 26 11.072 4.802 6.041 1.00 0.13 H new ATOM 0 HB3 LEU A 26 11.706 3.182 6.253 1.00 0.13 H new ATOM 0 HG LEU A 26 10.140 4.648 8.424 1.00 0.24 H new ATOM 0 HD11 LEU A 26 8.210 3.226 7.709 1.00 0.41 H new ATOM 0 HD12 LEU A 26 8.738 4.304 6.395 1.00 0.41 H new ATOM 0 HD13 LEU A 26 9.193 2.583 6.372 1.00 0.41 H new ATOM 0 HD21 LEU A 26 9.827 2.377 9.379 1.00 0.30 H new ATOM 0 HD22 LEU A 26 10.812 1.691 8.065 1.00 0.30 H new ATOM 0 HD23 LEU A 26 11.552 2.794 9.249 1.00 0.30 H new ATOM 423 N LYS A 27 13.079 6.792 6.496 1.00 0.24 N ATOM 424 CA LYS A 27 12.968 8.261 6.359 1.00 0.25 C ATOM 425 C LYS A 27 11.549 8.524 5.831 1.00 0.10 C ATOM 426 O LYS A 27 10.740 7.619 5.764 1.00 0.12 O ATOM 427 CB LYS A 27 14.006 8.776 5.358 1.00 0.40 C ATOM 428 CG LYS A 27 15.372 8.160 5.676 1.00 1.90 C ATOM 429 CD LYS A 27 16.129 9.075 6.639 1.00 2.64 C ATOM 430 CE LYS A 27 17.003 8.233 7.571 1.00 3.81 C ATOM 431 NZ LYS A 27 16.585 8.463 8.984 1.00 4.32 N ATOM 0 H LYS A 27 13.578 6.325 5.739 1.00 0.24 H new ATOM 0 HA LYS A 27 13.147 8.769 7.307 1.00 0.25 H new ATOM 0 HB2 LYS A 27 13.706 8.518 4.342 1.00 0.40 H new ATOM 0 HB3 LYS A 27 14.065 9.863 5.406 1.00 0.40 H new ATOM 0 HG2 LYS A 27 15.244 7.173 6.120 1.00 1.90 H new ATOM 0 HG3 LYS A 27 15.945 8.025 4.759 1.00 1.90 H new ATOM 0 HD2 LYS A 27 16.748 9.776 6.079 1.00 2.64 H new ATOM 0 HD3 LYS A 27 15.424 9.668 7.222 1.00 2.64 H new ATOM 0 HE2 LYS A 27 16.909 7.177 7.320 1.00 3.81 H new ATOM 0 HE3 LYS A 27 18.052 8.499 7.443 1.00 3.81 H new ATOM 0 HZ1 LYS A 27 17.178 7.891 9.619 1.00 4.32 H new ATOM 0 HZ2 LYS A 27 16.696 9.470 9.219 1.00 4.32 H new ATOM 0 HZ3 LYS A 27 15.589 8.188 9.100 1.00 4.32 H new ATOM 445 N GLY A 28 11.206 9.733 5.511 1.00 0.08 N ATOM 446 CA GLY A 28 9.807 10.003 5.060 1.00 0.19 C ATOM 447 C GLY A 28 9.423 9.245 3.787 1.00 0.27 C ATOM 448 O GLY A 28 8.350 8.679 3.705 1.00 0.30 O ATOM 0 H GLY A 28 11.823 10.545 5.539 1.00 0.08 H new ATOM 0 HA2 GLY A 28 9.117 9.731 5.858 1.00 0.19 H new ATOM 0 HA3 GLY A 28 9.689 11.073 4.887 1.00 0.19 H new ATOM 452 N THR A 29 10.256 9.218 2.800 1.00 0.33 N ATOM 453 CA THR A 29 9.889 8.487 1.563 1.00 0.43 C ATOM 454 C THR A 29 10.308 7.046 1.699 1.00 0.42 C ATOM 455 O THR A 29 9.935 6.201 0.912 1.00 0.48 O ATOM 456 CB THR A 29 10.556 9.087 0.337 1.00 0.53 C ATOM 457 OG1 THR A 29 11.956 9.188 0.556 1.00 0.46 O ATOM 458 CG2 THR A 29 9.972 10.471 0.056 1.00 0.55 C ATOM 0 H THR A 29 11.172 9.667 2.791 1.00 0.33 H new ATOM 0 HA THR A 29 8.810 8.564 1.432 1.00 0.43 H new ATOM 0 HB THR A 29 10.374 8.443 -0.523 1.00 0.53 H new ATOM 0 HG1 THR A 29 12.384 9.574 -0.237 1.00 0.46 H new ATOM 0 HG21 THR A 29 10.453 10.897 -0.824 1.00 0.55 H new ATOM 0 HG22 THR A 29 8.900 10.384 -0.123 1.00 0.55 H new ATOM 0 HG23 THR A 29 10.145 11.120 0.914 1.00 0.55 H new ATOM 466 N GLU A 30 11.069 6.748 2.701 1.00 0.35 N ATOM 467 CA GLU A 30 11.484 5.342 2.874 1.00 0.41 C ATOM 468 C GLU A 30 10.236 4.528 2.967 1.00 0.41 C ATOM 469 O GLU A 30 10.207 3.410 2.564 1.00 0.48 O ATOM 470 CB GLU A 30 12.314 5.170 4.129 1.00 0.38 C ATOM 471 CG GLU A 30 13.797 5.295 3.763 1.00 0.49 C ATOM 472 CD GLU A 30 14.172 4.212 2.748 1.00 1.12 C ATOM 473 OE1 GLU A 30 14.310 3.070 3.155 1.00 1.98 O ATOM 474 OE2 GLU A 30 14.317 4.545 1.583 1.00 1.86 O ATOM 0 H GLU A 30 11.418 7.406 3.399 1.00 0.35 H new ATOM 0 HA GLU A 30 12.102 5.023 2.034 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.043 5.925 4.867 1.00 0.38 H new ATOM 0 HB3 GLU A 30 12.118 4.198 4.581 1.00 0.38 H new ATOM 0 HG2 GLU A 30 13.996 6.282 3.346 1.00 0.49 H new ATOM 0 HG3 GLU A 30 14.412 5.197 4.658 1.00 0.49 H new ATOM 481 N VAL A 31 9.186 5.056 3.482 1.00 0.33 N ATOM 482 CA VAL A 31 7.989 4.203 3.537 1.00 0.33 C ATOM 483 C VAL A 31 7.408 4.014 2.152 1.00 0.36 C ATOM 484 O VAL A 31 6.841 2.997 1.874 1.00 0.32 O ATOM 485 CB VAL A 31 6.913 4.739 4.445 1.00 0.25 C ATOM 486 CG1 VAL A 31 6.601 3.643 5.472 1.00 2.20 C ATOM 487 CG2 VAL A 31 7.377 6.030 5.116 1.00 1.95 C ATOM 0 H VAL A 31 9.098 6.001 3.855 1.00 0.33 H new ATOM 0 HA VAL A 31 8.323 3.250 3.948 1.00 0.33 H new ATOM 0 HB VAL A 31 6.012 4.988 3.885 1.00 0.25 H new ATOM 0 HG11 VAL A 31 5.823 3.992 6.152 1.00 2.20 H new ATOM 0 HG12 VAL A 31 6.256 2.748 4.955 1.00 2.20 H new ATOM 0 HG13 VAL A 31 7.502 3.410 6.040 1.00 2.20 H new ATOM 0 HG21 VAL A 31 6.588 6.405 5.769 1.00 1.95 H new ATOM 0 HG22 VAL A 31 8.272 5.832 5.705 1.00 1.95 H new ATOM 0 HG23 VAL A 31 7.602 6.776 4.354 1.00 1.95 H new ATOM 497 N LYS A 32 7.502 4.965 1.269 1.00 0.42 N ATOM 498 CA LYS A 32 6.905 4.709 -0.063 1.00 0.44 C ATOM 499 C LYS A 32 7.753 3.697 -0.824 1.00 0.41 C ATOM 500 O LYS A 32 7.248 2.765 -1.374 1.00 0.40 O ATOM 501 CB LYS A 32 6.795 5.989 -0.854 1.00 0.55 C ATOM 502 CG LYS A 32 6.195 7.072 0.057 1.00 1.11 C ATOM 503 CD LYS A 32 6.716 8.447 -0.357 1.00 0.82 C ATOM 504 CE LYS A 32 6.738 9.360 0.869 1.00 1.03 C ATOM 505 NZ LYS A 32 5.565 10.278 0.822 1.00 1.26 N ATOM 0 H LYS A 32 7.948 5.873 1.403 1.00 0.42 H new ATOM 0 HA LYS A 32 5.902 4.305 0.078 1.00 0.44 H new ATOM 0 HB2 LYS A 32 7.776 6.298 -1.215 1.00 0.55 H new ATOM 0 HB3 LYS A 32 6.166 5.840 -1.731 1.00 0.55 H new ATOM 0 HG2 LYS A 32 5.107 7.051 -0.007 1.00 1.11 H new ATOM 0 HG3 LYS A 32 6.457 6.872 1.096 1.00 1.11 H new ATOM 0 HD2 LYS A 32 7.717 8.359 -0.779 1.00 0.82 H new ATOM 0 HD3 LYS A 32 6.079 8.873 -1.133 1.00 0.82 H new ATOM 0 HE2 LYS A 32 6.711 8.764 1.781 1.00 1.03 H new ATOM 0 HE3 LYS A 32 7.664 9.935 0.892 1.00 1.03 H new ATOM 0 HZ1 LYS A 32 5.578 10.900 1.655 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 5.610 10.855 -0.042 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 4.687 9.720 0.820 1.00 1.26 H new ATOM 519 N SER A 33 9.040 3.887 -0.849 1.00 0.42 N ATOM 520 CA SER A 33 9.947 2.940 -1.566 1.00 0.38 C ATOM 521 C SER A 33 9.996 1.618 -0.809 1.00 0.26 C ATOM 522 O SER A 33 10.089 0.556 -1.383 1.00 0.26 O ATOM 523 CB SER A 33 11.354 3.533 -1.636 1.00 0.44 C ATOM 524 OG SER A 33 11.291 4.927 -1.367 1.00 1.42 O ATOM 0 H SER A 33 9.513 4.670 -0.397 1.00 0.42 H new ATOM 0 HA SER A 33 9.572 2.773 -2.576 1.00 0.38 H new ATOM 0 HB2 SER A 33 12.005 3.041 -0.913 1.00 0.44 H new ATOM 0 HB3 SER A 33 11.785 3.361 -2.622 1.00 0.44 H new ATOM 0 HG SER A 33 12.192 5.309 -1.410 1.00 1.42 H new ATOM 530 N LEU A 34 9.946 1.696 0.485 1.00 0.22 N ATOM 531 CA LEU A 34 9.995 0.473 1.330 1.00 0.23 C ATOM 532 C LEU A 34 8.648 -0.241 1.212 1.00 0.33 C ATOM 533 O LEU A 34 8.578 -1.430 0.981 1.00 0.34 O ATOM 534 CB LEU A 34 10.315 0.865 2.790 1.00 0.29 C ATOM 535 CG LEU A 34 11.187 -0.228 3.401 1.00 0.51 C ATOM 536 CD1 LEU A 34 10.523 -1.581 3.195 1.00 0.85 C ATOM 537 CD2 LEU A 34 12.560 -0.230 2.723 1.00 1.07 C ATOM 0 H LEU A 34 9.872 2.570 1.005 1.00 0.22 H new ATOM 0 HA LEU A 34 10.781 -0.204 0.997 1.00 0.23 H new ATOM 0 HB2 LEU A 34 10.832 1.824 2.821 1.00 0.29 H new ATOM 0 HB3 LEU A 34 9.395 0.980 3.362 1.00 0.29 H new ATOM 0 HG LEU A 34 11.308 -0.038 4.467 1.00 0.51 H new ATOM 0 HD11 LEU A 34 11.146 -2.362 3.631 1.00 0.85 H new ATOM 0 HD12 LEU A 34 9.546 -1.584 3.678 1.00 0.85 H new ATOM 0 HD13 LEU A 34 10.401 -1.768 2.128 1.00 0.85 H new ATOM 0 HD21 LEU A 34 13.181 -1.011 3.161 1.00 1.07 H new ATOM 0 HD22 LEU A 34 12.439 -0.418 1.656 1.00 1.07 H new ATOM 0 HD23 LEU A 34 13.039 0.738 2.868 1.00 1.07 H new ATOM 549 N ARG A 35 7.584 0.499 1.303 1.00 0.49 N ATOM 550 CA ARG A 35 6.227 -0.094 1.127 1.00 0.71 C ATOM 551 C ARG A 35 6.079 -0.404 -0.353 1.00 0.78 C ATOM 552 O ARG A 35 5.318 -1.257 -0.764 1.00 0.94 O ATOM 553 CB ARG A 35 5.143 0.910 1.533 1.00 0.89 C ATOM 554 CG ARG A 35 3.796 0.461 0.964 1.00 1.98 C ATOM 555 CD ARG A 35 3.427 1.350 -0.228 1.00 3.51 C ATOM 556 NE ARG A 35 2.144 2.054 0.051 1.00 3.89 N ATOM 557 CZ ARG A 35 1.219 2.111 -0.869 1.00 4.40 C ATOM 558 NH1 ARG A 35 0.702 1.008 -1.338 1.00 5.64 N ATOM 559 NH2 ARG A 35 0.816 3.266 -1.321 1.00 4.24 N ATOM 0 H ARG A 35 7.593 1.501 1.494 1.00 0.49 H new ATOM 0 HA ARG A 35 6.117 -0.984 1.747 1.00 0.71 H new ATOM 0 HB2 ARG A 35 5.086 0.981 2.619 1.00 0.89 H new ATOM 0 HB3 ARG A 35 5.394 1.903 1.161 1.00 0.89 H new ATOM 0 HG2 ARG A 35 3.850 -0.582 0.651 1.00 1.98 H new ATOM 0 HG3 ARG A 35 3.025 0.524 1.732 1.00 1.98 H new ATOM 0 HD2 ARG A 35 4.219 2.076 -0.412 1.00 3.51 H new ATOM 0 HD3 ARG A 35 3.333 0.745 -1.130 1.00 3.51 H new ATOM 0 HE ARG A 35 1.988 2.491 0.959 1.00 3.89 H new ATOM 0 HH11 ARG A 35 1.021 0.105 -0.986 1.00 5.64 H new ATOM 0 HH12 ARG A 35 -0.021 1.049 -2.057 1.00 5.64 H new ATOM 0 HH21 ARG A 35 1.223 4.127 -0.956 1.00 4.24 H new ATOM 0 HH22 ARG A 35 0.093 3.308 -2.040 1.00 4.24 H new ATOM 573 N ALA A 36 6.840 0.289 -1.149 1.00 0.71 N ATOM 574 CA ALA A 36 6.813 0.073 -2.616 1.00 0.90 C ATOM 575 C ALA A 36 8.136 -0.599 -2.979 1.00 0.71 C ATOM 576 O ALA A 36 8.642 -0.451 -4.073 1.00 0.92 O ATOM 577 CB ALA A 36 6.683 1.428 -3.348 1.00 1.17 C ATOM 0 H ALA A 36 7.491 1.009 -0.837 1.00 0.71 H new ATOM 0 HA ALA A 36 5.965 -0.545 -2.911 1.00 0.90 H new ATOM 0 HB1 ALA A 36 6.664 1.260 -4.425 1.00 1.17 H new ATOM 0 HB2 ALA A 36 5.760 1.920 -3.041 1.00 1.17 H new ATOM 0 HB3 ALA A 36 7.533 2.061 -3.095 1.00 1.17 H new ATOM 583 N GLY A 37 8.741 -1.288 -2.033 1.00 0.39 N ATOM 584 CA GLY A 37 10.069 -1.897 -2.308 1.00 0.35 C ATOM 585 C GLY A 37 10.034 -3.420 -2.305 1.00 0.32 C ATOM 586 O GLY A 37 9.417 -4.051 -1.469 1.00 0.35 O ATOM 0 H GLY A 37 8.370 -1.448 -1.096 1.00 0.39 H new ATOM 0 HA2 GLY A 37 10.430 -1.549 -3.276 1.00 0.35 H new ATOM 0 HA3 GLY A 37 10.783 -1.553 -1.559 1.00 0.35 H new ATOM 590 N LYS A 38 10.754 -3.996 -3.220 1.00 0.39 N ATOM 591 CA LYS A 38 10.871 -5.471 -3.297 1.00 0.48 C ATOM 592 C LYS A 38 12.355 -5.795 -3.129 1.00 0.48 C ATOM 593 O LYS A 38 13.173 -5.403 -3.933 1.00 0.50 O ATOM 594 CB LYS A 38 10.376 -5.966 -4.660 1.00 0.62 C ATOM 595 CG LYS A 38 9.391 -7.124 -4.465 1.00 0.82 C ATOM 596 CD LYS A 38 9.892 -8.356 -5.223 1.00 2.03 C ATOM 597 CE LYS A 38 8.702 -9.221 -5.648 1.00 1.06 C ATOM 598 NZ LYS A 38 8.094 -8.660 -6.890 1.00 1.52 N ATOM 0 H LYS A 38 11.279 -3.492 -3.935 1.00 0.39 H new ATOM 0 HA LYS A 38 10.270 -5.957 -2.529 1.00 0.48 H new ATOM 0 HB2 LYS A 38 9.892 -5.152 -5.199 1.00 0.62 H new ATOM 0 HB3 LYS A 38 11.220 -6.293 -5.267 1.00 0.62 H new ATOM 0 HG2 LYS A 38 9.289 -7.353 -3.404 1.00 0.82 H new ATOM 0 HG3 LYS A 38 8.403 -6.839 -4.826 1.00 0.82 H new ATOM 0 HD2 LYS A 38 10.462 -8.048 -6.100 1.00 2.03 H new ATOM 0 HD3 LYS A 38 10.567 -8.934 -4.591 1.00 2.03 H new ATOM 0 HE2 LYS A 38 9.028 -10.246 -5.822 1.00 1.06 H new ATOM 0 HE3 LYS A 38 7.960 -9.254 -4.850 1.00 1.06 H new ATOM 0 HZ1 LYS A 38 7.140 -9.055 -7.019 1.00 1.52 H new ATOM 0 HZ2 LYS A 38 8.032 -7.625 -6.809 1.00 1.52 H new ATOM 0 HZ3 LYS A 38 8.685 -8.909 -7.709 1.00 1.52 H new ATOM 612 N VAL A 39 12.715 -6.483 -2.089 1.00 0.47 N ATOM 613 CA VAL A 39 14.156 -6.797 -1.870 1.00 0.44 C ATOM 614 C VAL A 39 14.341 -8.290 -2.020 1.00 0.52 C ATOM 615 O VAL A 39 13.420 -9.056 -1.819 1.00 0.60 O ATOM 616 CB VAL A 39 14.548 -6.395 -0.447 1.00 0.38 C ATOM 617 CG1 VAL A 39 13.777 -7.266 0.540 1.00 0.51 C ATOM 618 CG2 VAL A 39 16.049 -6.603 -0.220 1.00 0.35 C ATOM 0 H VAL A 39 12.078 -6.843 -1.379 1.00 0.47 H new ATOM 0 HA VAL A 39 14.773 -6.257 -2.588 1.00 0.44 H new ATOM 0 HB VAL A 39 14.311 -5.341 -0.300 1.00 0.38 H new ATOM 0 HG11 VAL A 39 14.048 -6.989 1.559 1.00 0.51 H new ATOM 0 HG12 VAL A 39 12.707 -7.118 0.396 1.00 0.51 H new ATOM 0 HG13 VAL A 39 14.025 -8.314 0.371 1.00 0.51 H new ATOM 0 HG21 VAL A 39 16.307 -6.311 0.798 1.00 0.35 H new ATOM 0 HG22 VAL A 39 16.298 -7.654 -0.370 1.00 0.35 H new ATOM 0 HG23 VAL A 39 16.612 -5.992 -0.926 1.00 0.35 H new ATOM 628 N ASP A 40 15.509 -8.731 -2.372 1.00 0.46 N ATOM 629 CA ASP A 40 15.676 -10.193 -2.519 1.00 0.49 C ATOM 630 C ASP A 40 16.002 -10.785 -1.154 1.00 0.50 C ATOM 631 O ASP A 40 17.097 -10.642 -0.648 1.00 0.46 O ATOM 632 CB ASP A 40 16.819 -10.484 -3.491 1.00 0.42 C ATOM 633 CG ASP A 40 17.235 -11.952 -3.370 1.00 1.75 C ATOM 634 OD1 ASP A 40 16.354 -12.793 -3.302 1.00 2.31 O ATOM 635 OD2 ASP A 40 18.427 -12.208 -3.350 1.00 2.30 O ATOM 0 H ASP A 40 16.334 -8.161 -2.560 1.00 0.46 H new ATOM 0 HA ASP A 40 14.759 -10.635 -2.908 1.00 0.49 H new ATOM 0 HB2 ASP A 40 16.505 -10.267 -4.512 1.00 0.42 H new ATOM 0 HB3 ASP A 40 17.668 -9.836 -3.274 1.00 0.42 H new ATOM 640 N PHE A 41 15.064 -11.479 -0.566 1.00 0.55 N ATOM 641 CA PHE A 41 15.336 -12.108 0.747 1.00 0.57 C ATOM 642 C PHE A 41 15.650 -13.573 0.473 1.00 0.53 C ATOM 643 O PHE A 41 14.790 -14.328 0.075 1.00 0.54 O ATOM 644 CB PHE A 41 14.110 -11.974 1.664 1.00 0.65 C ATOM 645 CG PHE A 41 14.189 -10.666 2.435 1.00 0.52 C ATOM 646 CD1 PHE A 41 15.102 -9.678 2.042 1.00 0.40 C ATOM 647 CD2 PHE A 41 13.354 -10.437 3.546 1.00 0.52 C ATOM 648 CE1 PHE A 41 15.179 -8.472 2.748 1.00 0.28 C ATOM 649 CE2 PHE A 41 13.437 -9.229 4.248 1.00 0.39 C ATOM 650 CZ PHE A 41 14.349 -8.249 3.850 1.00 0.27 C ATOM 0 H PHE A 41 14.128 -11.634 -0.940 1.00 0.55 H new ATOM 0 HA PHE A 41 16.171 -11.623 1.253 1.00 0.57 H new ATOM 0 HB2 PHE A 41 13.195 -12.004 1.072 1.00 0.65 H new ATOM 0 HB3 PHE A 41 14.068 -12.814 2.357 1.00 0.65 H new ATOM 0 HD1 PHE A 41 15.747 -9.848 1.193 1.00 0.40 H new ATOM 0 HD2 PHE A 41 12.649 -11.194 3.856 1.00 0.52 H new ATOM 0 HE1 PHE A 41 15.882 -7.712 2.440 1.00 0.28 H new ATOM 0 HE2 PHE A 41 12.795 -9.054 5.099 1.00 0.39 H new ATOM 0 HZ PHE A 41 14.413 -7.318 4.394 1.00 0.27 H new ATOM 660 N THR A 42 16.892 -13.936 0.667 1.00 0.49 N ATOM 661 CA THR A 42 17.390 -15.316 0.414 1.00 0.45 C ATOM 662 C THR A 42 18.766 -15.181 -0.227 1.00 0.40 C ATOM 663 O THR A 42 19.041 -14.192 -0.881 1.00 0.34 O ATOM 664 CB THR A 42 16.458 -16.060 -0.524 1.00 0.40 C ATOM 665 OG1 THR A 42 17.013 -17.326 -0.851 1.00 0.38 O ATOM 666 CG2 THR A 42 16.287 -15.228 -1.782 1.00 0.35 C ATOM 0 H THR A 42 17.612 -13.298 1.007 1.00 0.49 H new ATOM 0 HA THR A 42 17.439 -15.879 1.346 1.00 0.45 H new ATOM 0 HB THR A 42 15.491 -16.220 -0.046 1.00 0.40 H new ATOM 0 HG1 THR A 42 16.407 -17.803 -1.455 1.00 0.38 H new ATOM 0 HG21 THR A 42 15.620 -15.745 -2.472 1.00 0.35 H new ATOM 0 HG22 THR A 42 15.861 -14.259 -1.522 1.00 0.35 H new ATOM 0 HG23 THR A 42 17.257 -15.082 -2.257 1.00 0.35 H new ATOM 674 N GLY A 43 19.656 -16.121 -0.023 1.00 0.43 N ATOM 675 CA GLY A 43 21.017 -15.947 -0.601 1.00 0.39 C ATOM 676 C GLY A 43 21.440 -14.534 -0.218 1.00 0.32 C ATOM 677 O GLY A 43 22.156 -13.851 -0.923 1.00 0.27 O ATOM 0 H GLY A 43 19.502 -16.980 0.506 1.00 0.43 H new ATOM 0 HA2 GLY A 43 21.711 -16.687 -0.202 1.00 0.39 H new ATOM 0 HA3 GLY A 43 21.004 -16.074 -1.684 1.00 0.39 H new ATOM 681 N SER A 44 20.927 -14.093 0.898 1.00 0.32 N ATOM 682 CA SER A 44 21.180 -12.721 1.390 1.00 0.26 C ATOM 683 C SER A 44 22.218 -12.757 2.509 1.00 0.28 C ATOM 684 O SER A 44 22.650 -13.814 2.926 1.00 0.47 O ATOM 685 CB SER A 44 19.851 -12.198 1.931 1.00 0.35 C ATOM 686 OG SER A 44 20.021 -11.780 3.280 1.00 0.34 O ATOM 0 H SER A 44 20.324 -14.650 1.504 1.00 0.32 H new ATOM 0 HA SER A 44 21.561 -12.080 0.595 1.00 0.26 H new ATOM 0 HB2 SER A 44 19.501 -11.365 1.322 1.00 0.35 H new ATOM 0 HB3 SER A 44 19.091 -12.977 1.873 1.00 0.35 H new ATOM 0 HG SER A 44 20.348 -12.532 3.817 1.00 0.34 H new ATOM 692 N PHE A 45 22.625 -11.621 3.008 1.00 0.21 N ATOM 693 CA PHE A 45 23.628 -11.638 4.099 1.00 0.23 C ATOM 694 C PHE A 45 23.435 -10.469 5.041 1.00 0.25 C ATOM 695 O PHE A 45 22.937 -9.424 4.684 1.00 0.37 O ATOM 696 CB PHE A 45 25.034 -11.537 3.527 1.00 0.38 C ATOM 697 CG PHE A 45 25.512 -12.901 3.139 1.00 0.64 C ATOM 698 CD1 PHE A 45 25.248 -13.378 1.861 1.00 0.82 C ATOM 699 CD2 PHE A 45 26.218 -13.683 4.053 1.00 0.97 C ATOM 700 CE1 PHE A 45 25.684 -14.635 1.482 1.00 1.20 C ATOM 701 CE2 PHE A 45 26.664 -14.952 3.682 1.00 1.31 C ATOM 702 CZ PHE A 45 26.398 -15.433 2.389 1.00 1.40 C ATOM 0 H PHE A 45 22.310 -10.698 2.710 1.00 0.21 H new ATOM 0 HA PHE A 45 23.496 -12.575 4.639 1.00 0.23 H new ATOM 0 HB2 PHE A 45 25.039 -10.877 2.659 1.00 0.38 H new ATOM 0 HB3 PHE A 45 25.708 -11.099 4.264 1.00 0.38 H new ATOM 0 HD1 PHE A 45 24.700 -12.765 1.161 1.00 0.82 H new ATOM 0 HD2 PHE A 45 26.419 -13.307 5.045 1.00 0.97 H new ATOM 0 HE1 PHE A 45 25.475 -15.002 0.488 1.00 1.20 H new ATOM 0 HE2 PHE A 45 27.211 -15.562 4.386 1.00 1.31 H new ATOM 0 HZ PHE A 45 26.742 -16.413 2.094 1.00 1.40 H new ATOM 712 N ALA A 46 23.892 -10.645 6.232 1.00 0.28 N ATOM 713 CA ALA A 46 23.843 -9.573 7.240 1.00 0.37 C ATOM 714 C ALA A 46 25.194 -9.627 7.942 1.00 0.37 C ATOM 715 O ALA A 46 25.780 -10.685 8.066 1.00 0.33 O ATOM 716 CB ALA A 46 22.684 -9.790 8.215 1.00 0.45 C ATOM 0 H ALA A 46 24.311 -11.515 6.560 1.00 0.28 H new ATOM 0 HA ALA A 46 23.667 -8.594 6.793 1.00 0.37 H new ATOM 0 HB1 ALA A 46 22.670 -8.984 8.949 1.00 0.45 H new ATOM 0 HB2 ALA A 46 21.743 -9.796 7.666 1.00 0.45 H new ATOM 0 HB3 ALA A 46 22.812 -10.744 8.726 1.00 0.45 H new ATOM 722 N ARG A 47 25.737 -8.525 8.352 1.00 0.40 N ATOM 723 CA ARG A 47 27.086 -8.591 8.969 1.00 0.40 C ATOM 724 C ARG A 47 26.980 -8.278 10.455 1.00 0.44 C ATOM 725 O ARG A 47 26.112 -7.552 10.898 1.00 0.50 O ATOM 726 CB ARG A 47 28.011 -7.596 8.254 1.00 0.39 C ATOM 727 CG ARG A 47 28.629 -6.620 9.261 1.00 0.29 C ATOM 728 CD ARG A 47 29.829 -5.923 8.616 1.00 0.33 C ATOM 729 NE ARG A 47 30.959 -6.889 8.495 1.00 1.47 N ATOM 730 CZ ARG A 47 31.964 -6.618 7.707 1.00 1.90 C ATOM 731 NH1 ARG A 47 32.828 -5.701 8.045 1.00 1.54 N ATOM 732 NH2 ARG A 47 32.105 -7.265 6.583 1.00 3.22 N ATOM 0 H ARG A 47 25.318 -7.597 8.291 1.00 0.40 H new ATOM 0 HA ARG A 47 27.505 -9.592 8.863 1.00 0.40 H new ATOM 0 HB2 ARG A 47 28.800 -8.136 7.730 1.00 0.39 H new ATOM 0 HB3 ARG A 47 27.449 -7.044 7.501 1.00 0.39 H new ATOM 0 HG2 ARG A 47 27.889 -5.883 9.572 1.00 0.29 H new ATOM 0 HG3 ARG A 47 28.943 -7.154 10.158 1.00 0.29 H new ATOM 0 HD2 ARG A 47 29.556 -5.541 7.632 1.00 0.33 H new ATOM 0 HD3 ARG A 47 30.132 -5.066 9.218 1.00 0.33 H new ATOM 0 HE ARG A 47 30.947 -7.759 9.027 1.00 1.47 H new ATOM 0 HH11 ARG A 47 32.718 -5.196 8.925 1.00 1.54 H new ATOM 0 HH12 ARG A 47 33.613 -5.489 7.430 1.00 1.54 H new ATOM 0 HH21 ARG A 47 31.430 -7.983 6.320 1.00 3.22 H new ATOM 0 HH22 ARG A 47 32.890 -7.053 5.968 1.00 3.22 H new ATOM 746 N PHE A 48 27.848 -8.868 11.231 1.00 0.45 N ATOM 747 CA PHE A 48 27.804 -8.672 12.692 1.00 0.52 C ATOM 748 C PHE A 48 29.016 -7.878 13.155 1.00 0.41 C ATOM 749 O PHE A 48 30.116 -8.382 13.265 1.00 0.46 O ATOM 750 CB PHE A 48 27.812 -10.045 13.373 1.00 0.71 C ATOM 751 CG PHE A 48 28.923 -10.891 12.794 1.00 0.62 C ATOM 752 CD1 PHE A 48 28.704 -11.634 11.628 1.00 0.51 C ATOM 753 CD2 PHE A 48 30.174 -10.931 13.423 1.00 1.29 C ATOM 754 CE1 PHE A 48 29.734 -12.416 11.091 1.00 0.98 C ATOM 755 CE2 PHE A 48 31.204 -11.713 12.886 1.00 1.60 C ATOM 756 CZ PHE A 48 30.984 -12.455 11.720 1.00 1.41 C ATOM 0 H PHE A 48 28.592 -9.484 10.902 1.00 0.45 H new ATOM 0 HA PHE A 48 26.901 -8.122 12.955 1.00 0.52 H new ATOM 0 HB2 PHE A 48 27.952 -9.928 14.448 1.00 0.71 H new ATOM 0 HB3 PHE A 48 26.851 -10.540 13.229 1.00 0.71 H new ATOM 0 HD1 PHE A 48 27.740 -11.604 11.142 1.00 0.51 H new ATOM 0 HD2 PHE A 48 30.344 -10.358 14.323 1.00 1.29 H new ATOM 0 HE1 PHE A 48 29.564 -12.989 10.192 1.00 0.98 H new ATOM 0 HE2 PHE A 48 32.168 -11.744 13.372 1.00 1.60 H new ATOM 0 HZ PHE A 48 31.779 -13.058 11.305 1.00 1.41 H new ATOM 766 N GLU A 49 28.799 -6.648 13.470 1.00 0.31 N ATOM 767 CA GLU A 49 29.897 -5.795 13.983 1.00 0.24 C ATOM 768 C GLU A 49 29.764 -5.750 15.505 1.00 0.34 C ATOM 769 O GLU A 49 30.191 -4.815 16.153 1.00 0.36 O ATOM 770 CB GLU A 49 29.765 -4.378 13.413 1.00 0.09 C ATOM 771 CG GLU A 49 30.877 -3.495 13.980 1.00 0.58 C ATOM 772 CD GLU A 49 32.159 -4.316 14.118 1.00 2.14 C ATOM 773 OE1 GLU A 49 32.822 -4.518 13.114 1.00 2.60 O ATOM 774 OE2 GLU A 49 32.454 -4.736 15.225 1.00 3.65 O ATOM 0 H GLU A 49 27.894 -6.184 13.395 1.00 0.31 H new ATOM 0 HA GLU A 49 30.867 -6.196 13.688 1.00 0.24 H new ATOM 0 HB2 GLU A 49 29.826 -4.405 12.325 1.00 0.09 H new ATOM 0 HB3 GLU A 49 28.790 -3.962 13.667 1.00 0.09 H new ATOM 0 HG2 GLU A 49 31.048 -2.641 13.324 1.00 0.58 H new ATOM 0 HG3 GLU A 49 30.581 -3.097 14.951 1.00 0.58 H new ATOM 781 N ASP A 50 29.144 -6.754 16.078 1.00 0.39 N ATOM 782 CA ASP A 50 28.948 -6.769 17.554 1.00 0.48 C ATOM 783 C ASP A 50 28.419 -5.398 17.962 1.00 0.38 C ATOM 784 O ASP A 50 28.808 -4.836 18.966 1.00 0.30 O ATOM 785 CB ASP A 50 30.284 -7.036 18.250 1.00 0.59 C ATOM 786 CG ASP A 50 31.197 -7.822 17.310 1.00 1.17 C ATOM 787 OD1 ASP A 50 30.707 -8.742 16.675 1.00 1.43 O ATOM 788 OD2 ASP A 50 32.370 -7.493 17.240 1.00 1.45 O ATOM 0 H ASP A 50 28.767 -7.562 15.583 1.00 0.39 H new ATOM 0 HA ASP A 50 28.246 -7.552 17.841 1.00 0.48 H new ATOM 0 HB2 ASP A 50 30.756 -6.094 18.530 1.00 0.59 H new ATOM 0 HB3 ASP A 50 30.122 -7.597 19.170 1.00 0.59 H new ATOM 793 N GLY A 51 27.538 -4.859 17.170 1.00 0.59 N ATOM 794 CA GLY A 51 26.969 -3.519 17.473 1.00 0.54 C ATOM 795 C GLY A 51 26.282 -2.967 16.223 1.00 0.70 C ATOM 796 O GLY A 51 25.424 -2.111 16.305 1.00 0.84 O ATOM 0 H GLY A 51 27.184 -5.294 16.318 1.00 0.59 H new ATOM 0 HA2 GLY A 51 26.254 -3.592 18.293 1.00 0.54 H new ATOM 0 HA3 GLY A 51 27.758 -2.841 17.798 1.00 0.54 H new ATOM 800 N GLU A 52 26.647 -3.448 15.063 1.00 0.69 N ATOM 801 CA GLU A 52 26.005 -2.944 13.819 1.00 0.83 C ATOM 802 C GLU A 52 25.547 -4.125 12.954 1.00 0.66 C ATOM 803 O GLU A 52 26.351 -4.871 12.431 1.00 0.85 O ATOM 804 CB GLU A 52 27.010 -2.094 13.032 1.00 1.00 C ATOM 805 CG GLU A 52 26.592 -0.620 13.087 1.00 1.18 C ATOM 806 CD GLU A 52 27.513 0.142 14.042 1.00 0.46 C ATOM 807 OE1 GLU A 52 27.555 -0.216 15.207 1.00 1.85 O ATOM 808 OE2 GLU A 52 28.161 1.075 13.592 1.00 1.39 O ATOM 0 H GLU A 52 27.359 -4.165 14.926 1.00 0.69 H new ATOM 0 HA GLU A 52 25.140 -2.336 14.083 1.00 0.83 H new ATOM 0 HB2 GLU A 52 28.009 -2.215 13.450 1.00 1.00 H new ATOM 0 HB3 GLU A 52 27.055 -2.431 11.996 1.00 1.00 H new ATOM 0 HG2 GLU A 52 26.641 -0.181 12.091 1.00 1.18 H new ATOM 0 HG3 GLU A 52 25.558 -0.538 13.421 1.00 1.18 H new ATOM 815 N LEU A 53 24.263 -4.272 12.762 1.00 0.52 N ATOM 816 CA LEU A 53 23.754 -5.361 11.896 1.00 0.45 C ATOM 817 C LEU A 53 23.556 -4.739 10.530 1.00 0.42 C ATOM 818 O LEU A 53 22.600 -4.038 10.270 1.00 0.46 O ATOM 819 CB LEU A 53 22.424 -5.895 12.434 1.00 0.53 C ATOM 820 CG LEU A 53 21.826 -6.887 11.434 1.00 0.48 C ATOM 821 CD1 LEU A 53 22.409 -8.281 11.687 1.00 0.33 C ATOM 822 CD2 LEU A 53 20.306 -6.931 11.609 1.00 0.72 C ATOM 0 H LEU A 53 23.544 -3.677 13.174 1.00 0.52 H new ATOM 0 HA LEU A 53 24.446 -6.202 11.860 1.00 0.45 H new ATOM 0 HB2 LEU A 53 22.579 -6.383 13.396 1.00 0.53 H new ATOM 0 HB3 LEU A 53 21.731 -5.071 12.602 1.00 0.53 H new ATOM 0 HG LEU A 53 22.067 -6.571 10.419 1.00 0.48 H new ATOM 0 HD11 LEU A 53 21.983 -8.988 10.975 1.00 0.33 H new ATOM 0 HD12 LEU A 53 23.492 -8.250 11.565 1.00 0.33 H new ATOM 0 HD13 LEU A 53 22.167 -8.598 12.702 1.00 0.33 H new ATOM 0 HD21 LEU A 53 19.878 -7.637 10.897 1.00 0.72 H new ATOM 0 HD22 LEU A 53 20.066 -7.248 12.624 1.00 0.72 H new ATOM 0 HD23 LEU A 53 19.890 -5.939 11.431 1.00 0.72 H new ATOM 834 N TYR A 54 24.504 -4.934 9.692 1.00 0.40 N ATOM 835 CA TYR A 54 24.469 -4.301 8.351 1.00 0.42 C ATOM 836 C TYR A 54 23.793 -5.158 7.303 1.00 0.39 C ATOM 837 O TYR A 54 24.063 -6.334 7.173 1.00 0.37 O ATOM 838 CB TYR A 54 25.906 -4.088 7.882 1.00 0.46 C ATOM 839 CG TYR A 54 26.422 -2.804 8.467 1.00 0.18 C ATOM 840 CD1 TYR A 54 25.760 -1.608 8.186 1.00 0.35 C ATOM 841 CD2 TYR A 54 27.545 -2.808 9.303 1.00 0.62 C ATOM 842 CE1 TYR A 54 26.217 -0.410 8.734 1.00 0.56 C ATOM 843 CE2 TYR A 54 28.007 -1.609 9.855 1.00 0.86 C ATOM 844 CZ TYR A 54 27.343 -0.407 9.571 1.00 0.76 C ATOM 845 OH TYR A 54 27.796 0.777 10.116 1.00 1.13 O ATOM 0 H TYR A 54 25.323 -5.515 9.872 1.00 0.40 H new ATOM 0 HA TYR A 54 23.906 -3.374 8.455 1.00 0.42 H new ATOM 0 HB2 TYR A 54 26.533 -4.923 8.194 1.00 0.46 H new ATOM 0 HB3 TYR A 54 25.946 -4.049 6.793 1.00 0.46 H new ATOM 0 HD1 TYR A 54 24.892 -1.610 7.543 1.00 0.35 H new ATOM 0 HD2 TYR A 54 28.054 -3.735 9.521 1.00 0.62 H new ATOM 0 HE1 TYR A 54 25.705 0.515 8.514 1.00 0.56 H new ATOM 0 HE2 TYR A 54 28.874 -1.609 10.499 1.00 0.86 H new ATOM 0 HH TYR A 54 28.584 0.601 10.672 1.00 1.13 H new ATOM 855 N LEU A 55 23.006 -4.545 6.465 1.00 0.39 N ATOM 856 CA LEU A 55 22.446 -5.316 5.348 1.00 0.38 C ATOM 857 C LEU A 55 23.696 -5.673 4.565 1.00 0.32 C ATOM 858 O LEU A 55 24.604 -4.868 4.488 1.00 0.30 O ATOM 859 CB LEU A 55 21.570 -4.455 4.438 1.00 0.39 C ATOM 860 CG LEU A 55 20.097 -4.771 4.652 1.00 0.41 C ATOM 861 CD1 LEU A 55 19.343 -3.502 5.058 1.00 0.54 C ATOM 862 CD2 LEU A 55 19.527 -5.304 3.338 1.00 0.31 C ATOM 0 H LEU A 55 22.736 -3.562 6.511 1.00 0.39 H new ATOM 0 HA LEU A 55 21.830 -6.148 5.690 1.00 0.38 H new ATOM 0 HB2 LEU A 55 21.754 -3.400 4.641 1.00 0.39 H new ATOM 0 HB3 LEU A 55 21.837 -4.631 3.396 1.00 0.39 H new ATOM 0 HG LEU A 55 19.987 -5.512 5.444 1.00 0.41 H new ATOM 0 HD11 LEU A 55 18.289 -3.737 5.209 1.00 0.54 H new ATOM 0 HD12 LEU A 55 19.764 -3.109 5.984 1.00 0.54 H new ATOM 0 HD13 LEU A 55 19.438 -2.754 4.271 1.00 0.54 H new ATOM 0 HD21 LEU A 55 18.470 -5.538 3.468 1.00 0.31 H new ATOM 0 HD22 LEU A 55 19.639 -4.549 2.560 1.00 0.31 H new ATOM 0 HD23 LEU A 55 20.065 -6.206 3.047 1.00 0.31 H new ATOM 874 N GLU A 56 23.818 -6.822 4.017 1.00 0.26 N ATOM 875 CA GLU A 56 25.096 -7.093 3.310 1.00 0.19 C ATOM 876 C GLU A 56 24.815 -7.630 1.912 1.00 0.16 C ATOM 877 O GLU A 56 25.020 -6.941 0.933 1.00 0.39 O ATOM 878 CB GLU A 56 25.936 -8.059 4.150 1.00 0.18 C ATOM 879 CG GLU A 56 27.088 -8.604 3.302 1.00 0.13 C ATOM 880 CD GLU A 56 28.417 -8.366 4.022 1.00 0.31 C ATOM 881 OE1 GLU A 56 28.388 -7.863 5.132 1.00 0.13 O ATOM 882 OE2 GLU A 56 29.443 -8.692 3.448 1.00 0.76 O ATOM 0 H GLU A 56 23.125 -7.571 4.017 1.00 0.26 H new ATOM 0 HA GLU A 56 25.666 -6.172 3.187 1.00 0.19 H new ATOM 0 HB2 GLU A 56 26.328 -7.547 5.029 1.00 0.18 H new ATOM 0 HB3 GLU A 56 25.315 -8.880 4.509 1.00 0.18 H new ATOM 0 HG2 GLU A 56 26.947 -9.670 3.122 1.00 0.13 H new ATOM 0 HG3 GLU A 56 27.098 -8.115 2.328 1.00 0.13 H new ATOM 889 N ASN A 57 24.307 -8.814 1.788 1.00 0.45 N ATOM 890 CA ASN A 57 23.984 -9.300 0.427 1.00 0.39 C ATOM 891 C ASN A 57 22.477 -9.137 0.239 1.00 0.41 C ATOM 892 O ASN A 57 21.856 -9.820 -0.551 1.00 0.43 O ATOM 893 CB ASN A 57 24.406 -10.769 0.233 1.00 0.38 C ATOM 894 CG ASN A 57 24.866 -10.975 -1.213 1.00 0.25 C ATOM 895 OD1 ASN A 57 24.592 -10.160 -2.071 1.00 1.73 O ATOM 896 ND2 ASN A 57 25.565 -12.034 -1.518 1.00 1.36 N ATOM 0 H ASN A 57 24.104 -9.457 2.553 1.00 0.45 H new ATOM 0 HA ASN A 57 24.534 -8.724 -0.317 1.00 0.39 H new ATOM 0 HB2 ASN A 57 25.211 -11.023 0.923 1.00 0.38 H new ATOM 0 HB3 ASN A 57 23.571 -11.432 0.460 1.00 0.38 H new ATOM 0 HD21 ASN A 57 25.881 -12.177 -2.477 1.00 1.36 H new ATOM 0 HD22 ASN A 57 25.795 -12.718 -0.797 1.00 1.36 H new ATOM 903 N LEU A 58 21.885 -8.208 0.963 1.00 0.42 N ATOM 904 CA LEU A 58 20.424 -7.976 0.829 1.00 0.45 C ATOM 905 C LEU A 58 20.220 -6.683 0.055 1.00 0.43 C ATOM 906 O LEU A 58 20.547 -5.610 0.520 1.00 0.53 O ATOM 907 CB LEU A 58 19.795 -7.862 2.211 1.00 0.52 C ATOM 908 CG LEU A 58 19.496 -9.257 2.728 1.00 0.84 C ATOM 909 CD1 LEU A 58 19.562 -9.252 4.252 1.00 1.63 C ATOM 910 CD2 LEU A 58 18.098 -9.674 2.271 1.00 1.16 C ATOM 0 H LEU A 58 22.359 -7.607 1.637 1.00 0.42 H new ATOM 0 HA LEU A 58 19.953 -8.806 0.302 1.00 0.45 H new ATOM 0 HB2 LEU A 58 20.471 -7.344 2.892 1.00 0.52 H new ATOM 0 HB3 LEU A 58 18.879 -7.273 2.162 1.00 0.52 H new ATOM 0 HG LEU A 58 20.229 -9.963 2.337 1.00 0.84 H new ATOM 0 HD11 LEU A 58 19.348 -10.252 4.629 1.00 1.63 H new ATOM 0 HD12 LEU A 58 20.559 -8.949 4.572 1.00 1.63 H new ATOM 0 HD13 LEU A 58 18.826 -8.551 4.646 1.00 1.63 H new ATOM 0 HD21 LEU A 58 17.878 -10.676 2.640 1.00 1.16 H new ATOM 0 HD22 LEU A 58 17.362 -8.973 2.665 1.00 1.16 H new ATOM 0 HD23 LEU A 58 18.055 -9.671 1.182 1.00 1.16 H new ATOM 922 N TYR A 59 19.726 -6.779 -1.142 1.00 0.41 N ATOM 923 CA TYR A 59 19.550 -5.559 -1.974 1.00 0.41 C ATOM 924 C TYR A 59 18.085 -5.157 -2.052 1.00 0.38 C ATOM 925 O TYR A 59 17.224 -5.958 -2.352 1.00 0.27 O ATOM 926 CB TYR A 59 20.069 -5.861 -3.366 1.00 0.40 C ATOM 927 CG TYR A 59 21.539 -6.205 -3.272 1.00 0.41 C ATOM 928 CD1 TYR A 59 22.245 -5.975 -2.074 1.00 0.36 C ATOM 929 CD2 TYR A 59 22.199 -6.758 -4.377 1.00 0.48 C ATOM 930 CE1 TYR A 59 23.604 -6.300 -1.996 1.00 0.38 C ATOM 931 CE2 TYR A 59 23.558 -7.083 -4.292 1.00 0.49 C ATOM 932 CZ TYR A 59 24.260 -6.854 -3.102 1.00 0.43 C ATOM 933 OH TYR A 59 25.601 -7.174 -3.018 1.00 0.45 O ATOM 0 H TYR A 59 19.435 -7.651 -1.583 1.00 0.41 H new ATOM 0 HA TYR A 59 20.100 -4.732 -1.525 1.00 0.41 H new ATOM 0 HB2 TYR A 59 19.514 -6.691 -3.804 1.00 0.40 H new ATOM 0 HB3 TYR A 59 19.923 -5.000 -4.018 1.00 0.40 H new ATOM 0 HD1 TYR A 59 21.739 -5.550 -1.220 1.00 0.36 H new ATOM 0 HD2 TYR A 59 21.659 -6.934 -5.296 1.00 0.48 H new ATOM 0 HE1 TYR A 59 24.148 -6.123 -1.080 1.00 0.38 H new ATOM 0 HE2 TYR A 59 24.065 -7.510 -5.144 1.00 0.49 H new ATOM 0 HH TYR A 59 25.902 -7.549 -3.872 1.00 0.45 H new ATOM 943 N ILE A 60 17.805 -3.911 -1.799 1.00 0.50 N ATOM 944 CA ILE A 60 16.403 -3.436 -1.858 1.00 0.43 C ATOM 945 C ILE A 60 16.119 -2.869 -3.253 1.00 0.47 C ATOM 946 O ILE A 60 16.596 -1.814 -3.607 1.00 0.46 O ATOM 947 CB ILE A 60 16.212 -2.342 -0.802 1.00 0.28 C ATOM 948 CG1 ILE A 60 17.108 -2.640 0.412 1.00 0.48 C ATOM 949 CG2 ILE A 60 14.747 -2.302 -0.364 1.00 0.80 C ATOM 950 CD1 ILE A 60 18.425 -1.873 0.271 1.00 1.46 C ATOM 0 H ILE A 60 18.493 -3.199 -1.553 1.00 0.50 H new ATOM 0 HA ILE A 60 15.716 -4.260 -1.662 1.00 0.43 H new ATOM 0 HB ILE A 60 16.487 -1.376 -1.226 1.00 0.28 H new ATOM 0 HG12 ILE A 60 16.601 -2.349 1.332 1.00 0.48 H new ATOM 0 HG13 ILE A 60 17.303 -3.710 0.480 1.00 0.48 H new ATOM 0 HG21 ILE A 60 14.613 -1.523 0.387 1.00 0.80 H new ATOM 0 HG22 ILE A 60 14.115 -2.087 -1.226 1.00 0.80 H new ATOM 0 HG23 ILE A 60 14.467 -3.267 0.060 1.00 0.80 H new ATOM 0 HD11 ILE A 60 19.062 -2.083 1.130 1.00 1.46 H new ATOM 0 HD12 ILE A 60 18.932 -2.186 -0.642 1.00 1.46 H new ATOM 0 HD13 ILE A 60 18.220 -0.804 0.224 1.00 1.46 H new ATOM 962 N ALA A 61 15.343 -3.566 -4.042 1.00 0.71 N ATOM 963 CA ALA A 61 15.017 -3.072 -5.414 1.00 0.81 C ATOM 964 C ALA A 61 13.619 -2.440 -5.399 1.00 0.68 C ATOM 965 O ALA A 61 12.630 -3.140 -5.340 1.00 0.56 O ATOM 966 CB ALA A 61 15.029 -4.247 -6.396 1.00 0.90 C ATOM 0 H ALA A 61 14.919 -4.460 -3.794 1.00 0.71 H new ATOM 0 HA ALA A 61 15.756 -2.332 -5.723 1.00 0.81 H new ATOM 0 HB1 ALA A 61 14.791 -3.887 -7.397 1.00 0.90 H new ATOM 0 HB2 ALA A 61 16.017 -4.707 -6.401 1.00 0.90 H new ATOM 0 HB3 ALA A 61 14.287 -4.985 -6.090 1.00 0.90 H new ATOM 1243 N LYS A 78 21.533 -1.165 6.347 1.00 0.49 N ATOM 1244 CA LYS A 78 22.049 -1.330 7.737 1.00 0.67 C ATOM 1245 C LYS A 78 20.899 -1.571 8.717 1.00 0.61 C ATOM 1246 O LYS A 78 20.511 -0.679 9.445 1.00 0.56 O ATOM 1247 CB LYS A 78 22.792 -0.063 8.163 1.00 0.85 C ATOM 1248 CG LYS A 78 23.247 -0.207 9.620 1.00 1.19 C ATOM 1249 CD LYS A 78 23.600 1.170 10.180 1.00 1.64 C ATOM 1250 CE LYS A 78 22.328 2.012 10.302 1.00 2.25 C ATOM 1251 NZ LYS A 78 22.416 2.877 11.511 1.00 2.44 N ATOM 0 HA LYS A 78 22.721 -2.188 7.751 1.00 0.67 H new ATOM 0 HB2 LYS A 78 23.653 0.102 7.516 1.00 0.85 H new ATOM 0 HB3 LYS A 78 22.143 0.806 8.057 1.00 0.85 H new ATOM 0 HG2 LYS A 78 22.456 -0.662 10.216 1.00 1.19 H new ATOM 0 HG3 LYS A 78 24.112 -0.868 9.679 1.00 1.19 H new ATOM 0 HD2 LYS A 78 24.076 1.067 11.155 1.00 1.64 H new ATOM 0 HD3 LYS A 78 24.317 1.667 9.527 1.00 1.64 H new ATOM 0 HE2 LYS A 78 22.200 2.627 9.411 1.00 2.25 H new ATOM 0 HE3 LYS A 78 21.455 1.363 10.370 1.00 2.25 H new ATOM 0 HZ1 LYS A 78 21.551 3.449 11.593 1.00 2.44 H new ATOM 0 HZ2 LYS A 78 22.519 2.281 12.357 1.00 2.44 H new ATOM 0 HZ3 LYS A 78 23.240 3.506 11.429 1.00 2.44 H new ATOM 1265 N LEU A 79 20.349 -2.757 8.772 1.00 0.66 N ATOM 1266 CA LEU A 79 19.234 -2.979 9.761 1.00 0.62 C ATOM 1267 C LEU A 79 19.774 -2.757 11.184 1.00 0.66 C ATOM 1268 O LEU A 79 20.853 -3.194 11.525 1.00 1.09 O ATOM 1269 CB LEU A 79 18.708 -4.410 9.627 1.00 0.65 C ATOM 1270 CG LEU A 79 18.715 -4.821 8.155 1.00 0.59 C ATOM 1271 CD1 LEU A 79 19.767 -5.909 7.931 1.00 0.61 C ATOM 1272 CD2 LEU A 79 17.334 -5.361 7.776 1.00 0.54 C ATOM 0 H LEU A 79 20.607 -3.561 8.199 1.00 0.66 H new ATOM 0 HA LEU A 79 18.422 -2.280 9.564 1.00 0.62 H new ATOM 0 HB2 LEU A 79 19.328 -5.092 10.209 1.00 0.65 H new ATOM 0 HB3 LEU A 79 17.697 -4.476 10.029 1.00 0.65 H new ATOM 0 HG LEU A 79 18.954 -3.956 7.536 1.00 0.59 H new ATOM 0 HD11 LEU A 79 19.771 -6.201 6.881 1.00 0.61 H new ATOM 0 HD12 LEU A 79 20.750 -5.526 8.205 1.00 0.61 H new ATOM 0 HD13 LEU A 79 19.531 -6.776 8.548 1.00 0.61 H new ATOM 0 HD21 LEU A 79 17.334 -5.656 6.727 1.00 0.54 H new ATOM 0 HD22 LEU A 79 17.099 -6.226 8.396 1.00 0.54 H new ATOM 0 HD23 LEU A 79 16.584 -4.586 7.935 1.00 0.54 H new ATOM 1284 N LEU A 80 19.035 -2.061 12.010 1.00 0.29 N ATOM 1285 CA LEU A 80 19.505 -1.789 13.403 1.00 0.29 C ATOM 1286 C LEU A 80 19.240 -3.005 14.299 1.00 0.23 C ATOM 1287 O LEU A 80 18.134 -3.482 14.391 1.00 0.26 O ATOM 1288 CB LEU A 80 18.746 -0.572 13.940 1.00 0.36 C ATOM 1289 CG LEU A 80 18.496 -0.721 15.442 1.00 2.73 C ATOM 1290 CD1 LEU A 80 19.833 -0.734 16.184 1.00 3.74 C ATOM 1291 CD2 LEU A 80 17.654 0.460 15.927 1.00 3.51 C ATOM 0 H LEU A 80 18.123 -1.668 11.779 1.00 0.29 H new ATOM 0 HA LEU A 80 20.577 -1.592 13.400 1.00 0.29 H new ATOM 0 HB2 LEU A 80 19.318 0.336 13.748 1.00 0.36 H new ATOM 0 HB3 LEU A 80 17.796 -0.467 13.415 1.00 0.36 H new ATOM 0 HG LEU A 80 17.968 -1.654 15.636 1.00 2.73 H new ATOM 0 HD11 LEU A 80 19.654 -0.840 17.254 1.00 3.74 H new ATOM 0 HD12 LEU A 80 20.436 -1.571 15.832 1.00 3.74 H new ATOM 0 HD13 LEU A 80 20.363 0.200 15.996 1.00 3.74 H new ATOM 0 HD21 LEU A 80 17.471 0.361 16.997 1.00 3.51 H new ATOM 0 HD22 LEU A 80 18.188 1.391 15.734 1.00 3.51 H new ATOM 0 HD23 LEU A 80 16.702 0.471 15.396 1.00 3.51 H new ATOM 1303 N LEU A 81 20.242 -3.511 14.962 1.00 0.24 N ATOM 1304 CA LEU A 81 20.038 -4.677 15.847 1.00 0.23 C ATOM 1305 C LEU A 81 20.457 -4.349 17.256 1.00 0.23 C ATOM 1306 O LEU A 81 21.552 -3.872 17.484 1.00 0.27 O ATOM 1307 CB LEU A 81 20.924 -5.839 15.418 1.00 0.29 C ATOM 1308 CG LEU A 81 20.060 -6.992 14.922 1.00 0.34 C ATOM 1309 CD1 LEU A 81 20.942 -8.217 14.706 1.00 0.46 C ATOM 1310 CD2 LEU A 81 18.986 -7.310 15.964 1.00 0.30 C ATOM 0 H LEU A 81 21.199 -3.160 14.924 1.00 0.24 H new ATOM 0 HA LEU A 81 18.981 -4.935 15.789 1.00 0.23 H new ATOM 0 HB2 LEU A 81 21.605 -5.517 14.630 1.00 0.29 H new ATOM 0 HB3 LEU A 81 21.539 -6.168 16.256 1.00 0.29 H new ATOM 0 HG LEU A 81 19.579 -6.716 13.984 1.00 0.34 H new ATOM 0 HD11 LEU A 81 20.331 -9.047 14.351 1.00 0.46 H new ATOM 0 HD12 LEU A 81 21.708 -7.988 13.966 1.00 0.46 H new ATOM 0 HD13 LEU A 81 21.418 -8.493 15.647 1.00 0.46 H new ATOM 0 HD21 LEU A 81 18.368 -8.135 15.609 1.00 0.30 H new ATOM 0 HD22 LEU A 81 19.462 -7.591 16.903 1.00 0.30 H new ATOM 0 HD23 LEU A 81 18.362 -6.431 16.123 1.00 0.30 H new ATOM 1322 N HIS A 82 19.667 -4.705 18.209 1.00 0.23 N ATOM 1323 CA HIS A 82 20.138 -4.523 19.596 1.00 0.23 C ATOM 1324 C HIS A 82 21.477 -5.252 19.570 1.00 0.25 C ATOM 1325 O HIS A 82 21.572 -6.328 19.016 1.00 0.31 O ATOM 1326 CB HIS A 82 19.173 -5.182 20.588 1.00 0.27 C ATOM 1327 CG HIS A 82 17.761 -5.014 20.097 1.00 1.46 C ATOM 1328 ND1 HIS A 82 17.276 -3.797 19.640 1.00 1.45 N ATOM 1329 CD2 HIS A 82 16.717 -5.899 19.982 1.00 4.00 C ATOM 1330 CE1 HIS A 82 15.993 -3.982 19.275 1.00 2.58 C ATOM 1331 NE2 HIS A 82 15.602 -5.246 19.463 1.00 4.41 N ATOM 0 H HIS A 82 18.736 -5.106 18.097 1.00 0.23 H new ATOM 0 HA HIS A 82 20.209 -3.481 19.909 1.00 0.23 H new ATOM 0 HB2 HIS A 82 19.410 -6.241 20.694 1.00 0.27 H new ATOM 0 HB3 HIS A 82 19.283 -4.731 21.574 1.00 0.27 H new ATOM 0 HD2 HIS A 82 16.755 -6.944 20.253 1.00 4.00 H new ATOM 0 HE1 HIS A 82 15.358 -3.204 18.879 1.00 2.58 H new ATOM 0 HE2 HIS A 82 14.684 -5.646 19.268 1.00 4.41 H new ATOM 1339 N LYS A 83 22.531 -4.672 20.037 1.00 0.27 N ATOM 1340 CA LYS A 83 23.835 -5.364 19.868 1.00 0.38 C ATOM 1341 C LYS A 83 23.830 -6.752 20.513 1.00 0.48 C ATOM 1342 O LYS A 83 24.321 -7.698 19.931 1.00 0.49 O ATOM 1343 CB LYS A 83 24.957 -4.528 20.468 1.00 0.45 C ATOM 1344 CG LYS A 83 26.290 -5.216 20.176 1.00 0.49 C ATOM 1345 CD LYS A 83 26.644 -6.155 21.333 1.00 0.49 C ATOM 1346 CE LYS A 83 28.150 -6.103 21.595 1.00 0.28 C ATOM 1347 NZ LYS A 83 28.540 -7.240 22.478 1.00 1.01 N ATOM 0 H LYS A 83 22.556 -3.773 20.517 1.00 0.27 H new ATOM 0 HA LYS A 83 24.001 -5.488 18.798 1.00 0.38 H new ATOM 0 HB2 LYS A 83 24.949 -3.524 20.043 1.00 0.45 H new ATOM 0 HB3 LYS A 83 24.815 -4.421 21.543 1.00 0.45 H new ATOM 0 HG2 LYS A 83 26.225 -5.778 19.244 1.00 0.49 H new ATOM 0 HG3 LYS A 83 27.075 -4.471 20.045 1.00 0.49 H new ATOM 0 HD2 LYS A 83 26.098 -5.864 22.231 1.00 0.49 H new ATOM 0 HD3 LYS A 83 26.342 -7.174 21.093 1.00 0.49 H new ATOM 0 HE2 LYS A 83 28.696 -6.156 20.653 1.00 0.28 H new ATOM 0 HE3 LYS A 83 28.416 -5.156 22.065 1.00 0.28 H new ATOM 0 HZ1 LYS A 83 29.564 -7.205 22.657 1.00 1.01 H new ATOM 0 HZ2 LYS A 83 28.028 -7.170 23.381 1.00 1.01 H new ATOM 0 HZ3 LYS A 83 28.300 -8.139 22.013 1.00 1.01 H new ATOM 1361 N HIS A 84 23.282 -6.916 21.682 1.00 0.60 N ATOM 1362 CA HIS A 84 23.281 -8.282 22.271 1.00 0.75 C ATOM 1363 C HIS A 84 22.588 -9.202 21.266 1.00 0.74 C ATOM 1364 O HIS A 84 22.875 -10.379 21.161 1.00 0.77 O ATOM 1365 CB HIS A 84 22.503 -8.281 23.589 1.00 0.87 C ATOM 1366 CG HIS A 84 23.457 -8.342 24.753 1.00 0.97 C ATOM 1367 ND1 HIS A 84 24.676 -9.000 24.683 1.00 2.90 N ATOM 1368 CD2 HIS A 84 23.376 -7.838 26.027 1.00 1.57 C ATOM 1369 CE1 HIS A 84 25.275 -8.871 25.882 1.00 2.41 C ATOM 1370 NE2 HIS A 84 24.524 -8.172 26.738 1.00 0.93 N ATOM 0 H HIS A 84 22.845 -6.185 22.244 1.00 0.60 H new ATOM 0 HA HIS A 84 24.298 -8.618 22.474 1.00 0.75 H new ATOM 0 HB2 HIS A 84 21.890 -7.382 23.658 1.00 0.87 H new ATOM 0 HB3 HIS A 84 21.824 -9.133 23.620 1.00 0.87 H new ATOM 0 HD2 HIS A 84 22.546 -7.268 26.418 1.00 1.57 H new ATOM 0 HE1 HIS A 84 26.244 -9.282 26.122 1.00 2.41 H new ATOM 0 HE2 HIS A 84 24.745 -7.934 27.705 1.00 0.93 H new ATOM 1378 N GLU A 85 21.674 -8.644 20.525 1.00 0.69 N ATOM 1379 CA GLU A 85 20.920 -9.416 19.496 1.00 0.67 C ATOM 1380 C GLU A 85 21.796 -9.718 18.275 1.00 0.57 C ATOM 1381 O GLU A 85 21.628 -10.722 17.614 1.00 0.53 O ATOM 1382 CB GLU A 85 19.738 -8.566 19.027 1.00 0.70 C ATOM 1383 CG GLU A 85 18.508 -9.447 18.841 1.00 1.56 C ATOM 1384 CD GLU A 85 17.766 -9.576 20.174 1.00 0.40 C ATOM 1385 OE1 GLU A 85 18.306 -10.204 21.070 1.00 0.43 O ATOM 1386 OE2 GLU A 85 16.673 -9.043 20.275 1.00 0.34 O ATOM 0 H GLU A 85 21.411 -7.661 20.590 1.00 0.69 H new ATOM 0 HA GLU A 85 20.593 -10.357 19.939 1.00 0.67 H new ATOM 0 HB2 GLU A 85 19.529 -7.784 19.757 1.00 0.70 H new ATOM 0 HB3 GLU A 85 19.986 -8.069 18.089 1.00 0.70 H new ATOM 0 HG2 GLU A 85 17.850 -9.016 18.086 1.00 1.56 H new ATOM 0 HG3 GLU A 85 18.804 -10.432 18.481 1.00 1.56 H new ATOM 1393 N LEU A 86 22.661 -8.811 17.920 1.00 0.53 N ATOM 1394 CA LEU A 86 23.473 -8.993 16.680 1.00 0.45 C ATOM 1395 C LEU A 86 24.438 -10.190 16.744 1.00 0.36 C ATOM 1396 O LEU A 86 24.477 -10.996 15.837 1.00 0.41 O ATOM 1397 CB LEU A 86 24.282 -7.709 16.473 1.00 0.51 C ATOM 1398 CG LEU A 86 25.058 -7.797 15.165 1.00 0.49 C ATOM 1399 CD1 LEU A 86 25.357 -6.384 14.661 1.00 2.19 C ATOM 1400 CD2 LEU A 86 26.368 -8.546 15.407 1.00 1.28 C ATOM 0 H LEU A 86 22.843 -7.949 18.434 1.00 0.53 H new ATOM 0 HA LEU A 86 22.789 -9.197 15.856 1.00 0.45 H new ATOM 0 HB2 LEU A 86 23.616 -6.847 16.454 1.00 0.51 H new ATOM 0 HB3 LEU A 86 24.970 -7.563 17.306 1.00 0.51 H new ATOM 0 HG LEU A 86 24.469 -8.330 14.419 1.00 0.49 H new ATOM 0 HD11 LEU A 86 25.912 -6.442 13.725 1.00 2.19 H new ATOM 0 HD12 LEU A 86 24.421 -5.851 14.495 1.00 2.19 H new ATOM 0 HD13 LEU A 86 25.951 -5.851 15.403 1.00 2.19 H new ATOM 0 HD21 LEU A 86 26.927 -8.612 14.474 1.00 1.28 H new ATOM 0 HD22 LEU A 86 26.961 -8.011 16.149 1.00 1.28 H new ATOM 0 HD23 LEU A 86 26.151 -9.550 15.771 1.00 1.28 H new ATOM 1412 N ARG A 87 25.240 -10.307 17.762 1.00 0.45 N ATOM 1413 CA ARG A 87 26.212 -11.446 17.807 1.00 0.60 C ATOM 1414 C ARG A 87 25.565 -12.800 18.174 1.00 0.56 C ATOM 1415 O ARG A 87 26.046 -13.837 17.762 1.00 0.63 O ATOM 1416 CB ARG A 87 27.315 -11.123 18.814 1.00 0.97 C ATOM 1417 CG ARG A 87 28.594 -10.751 18.061 1.00 2.12 C ATOM 1418 CD ARG A 87 29.780 -10.767 19.025 1.00 1.61 C ATOM 1419 NE ARG A 87 30.717 -11.858 18.637 1.00 1.87 N ATOM 1420 CZ ARG A 87 30.248 -13.027 18.293 1.00 2.82 C ATOM 1421 NH1 ARG A 87 29.442 -13.668 19.096 1.00 2.88 N ATOM 1422 NH2 ARG A 87 30.584 -13.554 17.147 1.00 3.86 N ATOM 0 H ARG A 87 25.270 -9.673 18.561 1.00 0.45 H new ATOM 0 HA ARG A 87 26.614 -11.557 16.800 1.00 0.60 H new ATOM 0 HB2 ARG A 87 27.006 -10.300 19.458 1.00 0.97 H new ATOM 0 HB3 ARG A 87 27.496 -11.982 19.460 1.00 0.97 H new ATOM 0 HG2 ARG A 87 28.766 -11.454 17.246 1.00 2.12 H new ATOM 0 HG3 ARG A 87 28.490 -9.763 17.613 1.00 2.12 H new ATOM 0 HD2 ARG A 87 30.294 -9.806 19.003 1.00 1.61 H new ATOM 0 HD3 ARG A 87 29.431 -10.918 20.046 1.00 1.61 H new ATOM 0 HE ARG A 87 31.723 -11.692 18.640 1.00 1.87 H new ATOM 0 HH11 ARG A 87 29.179 -13.255 19.991 1.00 2.88 H new ATOM 0 HH12 ARG A 87 29.075 -14.581 18.828 1.00 2.88 H new ATOM 0 HH21 ARG A 87 31.213 -13.053 16.520 1.00 3.86 H new ATOM 0 HH22 ARG A 87 30.217 -14.467 16.879 1.00 3.86 H new ATOM 1436 N ARG A 88 24.544 -12.826 18.989 1.00 0.58 N ATOM 1437 CA ARG A 88 23.970 -14.152 19.410 1.00 0.65 C ATOM 1438 C ARG A 88 23.240 -14.892 18.273 1.00 0.42 C ATOM 1439 O ARG A 88 23.447 -16.072 18.073 1.00 0.40 O ATOM 1440 CB ARG A 88 22.990 -13.935 20.563 1.00 0.88 C ATOM 1441 CG ARG A 88 22.815 -15.249 21.331 1.00 1.12 C ATOM 1442 CD ARG A 88 23.945 -15.397 22.353 1.00 2.40 C ATOM 1443 NE ARG A 88 23.425 -16.079 23.572 1.00 2.13 N ATOM 1444 CZ ARG A 88 24.139 -16.099 24.667 1.00 2.71 C ATOM 1445 NH1 ARG A 88 25.302 -15.506 24.703 1.00 3.42 N ATOM 1446 NH2 ARG A 88 23.690 -16.718 25.724 1.00 2.77 N ATOM 0 H ARG A 88 24.084 -12.004 19.380 1.00 0.58 H new ATOM 0 HA ARG A 88 24.812 -14.775 19.712 1.00 0.65 H new ATOM 0 HB2 ARG A 88 23.361 -13.157 21.230 1.00 0.88 H new ATOM 0 HB3 ARG A 88 22.029 -13.594 20.179 1.00 0.88 H new ATOM 0 HG2 ARG A 88 21.849 -15.261 21.836 1.00 1.12 H new ATOM 0 HG3 ARG A 88 22.824 -16.091 20.639 1.00 1.12 H new ATOM 0 HD2 ARG A 88 24.765 -15.972 21.923 1.00 2.40 H new ATOM 0 HD3 ARG A 88 24.345 -14.417 22.614 1.00 2.40 H new ATOM 0 HE ARG A 88 22.511 -16.531 23.552 1.00 2.13 H new ATOM 0 HH11 ARG A 88 25.655 -15.026 23.875 1.00 3.42 H new ATOM 0 HH12 ARG A 88 25.857 -15.523 25.559 1.00 3.42 H new ATOM 0 HH21 ARG A 88 22.784 -17.185 25.695 1.00 2.77 H new ATOM 0 HH22 ARG A 88 24.245 -16.735 26.579 1.00 2.77 H new ATOM 1460 N LEU A 89 22.377 -14.240 17.546 1.00 0.34 N ATOM 1461 CA LEU A 89 21.632 -14.954 16.458 1.00 0.36 C ATOM 1462 C LEU A 89 22.578 -15.294 15.304 1.00 0.25 C ATOM 1463 O LEU A 89 22.579 -16.391 14.782 1.00 0.36 O ATOM 1464 CB LEU A 89 20.501 -14.040 15.986 1.00 0.56 C ATOM 1465 CG LEU A 89 20.151 -14.255 14.507 1.00 0.78 C ATOM 1466 CD1 LEU A 89 21.213 -13.640 13.594 1.00 0.72 C ATOM 1467 CD2 LEU A 89 20.032 -15.745 14.218 1.00 0.99 C ATOM 0 H LEU A 89 22.152 -13.251 17.652 1.00 0.34 H new ATOM 0 HA LEU A 89 21.219 -15.892 16.829 1.00 0.36 H new ATOM 0 HB2 LEU A 89 19.615 -14.219 16.596 1.00 0.56 H new ATOM 0 HB3 LEU A 89 20.790 -13.000 16.140 1.00 0.56 H new ATOM 0 HG LEU A 89 19.199 -13.763 14.308 1.00 0.78 H new ATOM 0 HD11 LEU A 89 20.939 -13.808 12.552 1.00 0.72 H new ATOM 0 HD12 LEU A 89 21.280 -12.569 13.784 1.00 0.72 H new ATOM 0 HD13 LEU A 89 22.178 -14.105 13.794 1.00 0.72 H new ATOM 0 HD21 LEU A 89 19.783 -15.893 13.167 1.00 0.99 H new ATOM 0 HD22 LEU A 89 20.980 -16.235 14.439 1.00 0.99 H new ATOM 0 HD23 LEU A 89 19.247 -16.175 14.840 1.00 0.99 H new ATOM 1479 N LEU A 90 23.380 -14.354 14.909 1.00 0.21 N ATOM 1480 CA LEU A 90 24.334 -14.576 13.790 1.00 0.43 C ATOM 1481 C LEU A 90 25.428 -15.547 14.257 1.00 0.43 C ATOM 1482 O LEU A 90 25.993 -16.293 13.484 1.00 0.54 O ATOM 1483 CB LEU A 90 24.892 -13.205 13.343 1.00 0.58 C ATOM 1484 CG LEU A 90 26.376 -13.274 12.954 1.00 0.30 C ATOM 1485 CD1 LEU A 90 27.241 -13.497 14.196 1.00 0.53 C ATOM 1486 CD2 LEU A 90 26.596 -14.404 11.948 1.00 0.24 C ATOM 0 H LEU A 90 23.417 -13.422 15.321 1.00 0.21 H new ATOM 0 HA LEU A 90 23.848 -15.030 12.926 1.00 0.43 H new ATOM 0 HB2 LEU A 90 24.314 -12.840 12.494 1.00 0.58 H new ATOM 0 HB3 LEU A 90 24.764 -12.483 14.150 1.00 0.58 H new ATOM 0 HG LEU A 90 26.665 -12.328 12.496 1.00 0.30 H new ATOM 0 HD11 LEU A 90 28.290 -13.544 13.905 1.00 0.53 H new ATOM 0 HD12 LEU A 90 27.095 -12.673 14.894 1.00 0.53 H new ATOM 0 HD13 LEU A 90 26.955 -14.433 14.675 1.00 0.53 H new ATOM 0 HD21 LEU A 90 27.650 -14.448 11.676 1.00 0.24 H new ATOM 0 HD22 LEU A 90 26.296 -15.352 12.395 1.00 0.24 H new ATOM 0 HD23 LEU A 90 25.998 -14.218 11.056 1.00 0.24 H new ATOM 1498 N GLY A 91 25.745 -15.526 15.520 1.00 0.34 N ATOM 1499 CA GLY A 91 26.825 -16.415 16.037 1.00 0.38 C ATOM 1500 C GLY A 91 26.539 -17.895 15.734 1.00 0.33 C ATOM 1501 O GLY A 91 27.464 -18.672 15.601 1.00 0.52 O ATOM 0 H GLY A 91 25.303 -14.930 16.220 1.00 0.34 H new ATOM 0 HA2 GLY A 91 27.777 -16.129 15.589 1.00 0.38 H new ATOM 0 HA3 GLY A 91 26.925 -16.277 17.114 1.00 0.38 H new ATOM 1505 N LYS A 92 25.306 -18.326 15.604 1.00 0.23 N ATOM 1506 CA LYS A 92 25.109 -19.769 15.293 1.00 0.20 C ATOM 1507 C LYS A 92 25.464 -20.000 13.822 1.00 0.16 C ATOM 1508 O LYS A 92 25.950 -21.049 13.445 1.00 0.17 O ATOM 1509 CB LYS A 92 23.665 -20.185 15.557 1.00 0.25 C ATOM 1510 CG LYS A 92 23.600 -20.944 16.882 1.00 0.75 C ATOM 1511 CD LYS A 92 23.342 -22.427 16.605 1.00 1.01 C ATOM 1512 CE LYS A 92 24.524 -23.257 17.111 1.00 0.83 C ATOM 1513 NZ LYS A 92 24.273 -23.670 18.520 1.00 0.54 N ATOM 0 H LYS A 92 24.460 -17.763 15.696 1.00 0.23 H new ATOM 0 HA LYS A 92 25.753 -20.372 15.933 1.00 0.20 H new ATOM 0 HB2 LYS A 92 23.021 -19.306 15.594 1.00 0.25 H new ATOM 0 HB3 LYS A 92 23.300 -20.814 14.745 1.00 0.25 H new ATOM 0 HG2 LYS A 92 24.534 -20.822 17.430 1.00 0.75 H new ATOM 0 HG3 LYS A 92 22.807 -20.536 17.509 1.00 0.75 H new ATOM 0 HD2 LYS A 92 22.424 -22.745 17.098 1.00 1.01 H new ATOM 0 HD3 LYS A 92 23.202 -22.589 15.536 1.00 1.01 H new ATOM 0 HE2 LYS A 92 24.661 -24.136 16.482 1.00 0.83 H new ATOM 0 HE3 LYS A 92 25.444 -22.675 17.050 1.00 0.83 H new ATOM 0 HZ1 LYS A 92 25.076 -24.234 18.865 1.00 0.54 H new ATOM 0 HZ2 LYS A 92 24.163 -22.824 19.115 1.00 0.54 H new ATOM 0 HZ3 LYS A 92 23.404 -24.240 18.565 1.00 0.54 H new ATOM 1527 N VAL A 93 25.228 -19.021 12.992 1.00 0.15 N ATOM 1528 CA VAL A 93 25.559 -19.180 11.536 1.00 0.15 C ATOM 1529 C VAL A 93 27.080 -19.172 11.330 1.00 0.30 C ATOM 1530 O VAL A 93 27.571 -19.473 10.261 1.00 0.71 O ATOM 1531 CB VAL A 93 24.959 -18.051 10.687 1.00 0.31 C ATOM 1532 CG1 VAL A 93 24.247 -18.668 9.490 1.00 1.21 C ATOM 1533 CG2 VAL A 93 23.964 -17.217 11.498 1.00 1.74 C ATOM 0 H VAL A 93 24.823 -18.121 13.251 1.00 0.15 H new ATOM 0 HA VAL A 93 25.132 -20.132 11.219 1.00 0.15 H new ATOM 0 HB VAL A 93 25.763 -17.392 10.358 1.00 0.31 H new ATOM 0 HG11 VAL A 93 23.815 -17.877 8.876 1.00 1.21 H new ATOM 0 HG12 VAL A 93 24.961 -19.239 8.896 1.00 1.21 H new ATOM 0 HG13 VAL A 93 23.455 -19.330 9.839 1.00 1.21 H new ATOM 0 HG21 VAL A 93 23.556 -16.425 10.870 1.00 1.74 H new ATOM 0 HG22 VAL A 93 23.154 -17.856 11.848 1.00 1.74 H new ATOM 0 HG23 VAL A 93 24.473 -16.775 12.354 1.00 1.74 H new ATOM 1543 N GLU A 94 27.819 -18.795 12.330 1.00 0.26 N ATOM 1544 CA GLU A 94 29.307 -18.720 12.193 1.00 0.35 C ATOM 1545 C GLU A 94 29.901 -20.057 11.720 1.00 0.52 C ATOM 1546 O GLU A 94 31.046 -20.118 11.321 1.00 0.81 O ATOM 1547 CB GLU A 94 29.912 -18.359 13.550 1.00 0.48 C ATOM 1548 CG GLU A 94 31.384 -17.979 13.375 1.00 0.65 C ATOM 1549 CD GLU A 94 31.806 -17.048 14.512 1.00 0.75 C ATOM 1550 OE1 GLU A 94 31.110 -17.016 15.512 1.00 0.95 O ATOM 1551 OE2 GLU A 94 32.819 -16.385 14.364 1.00 1.10 O ATOM 0 H GLU A 94 27.459 -18.532 13.247 1.00 0.26 H new ATOM 0 HA GLU A 94 29.543 -17.961 11.447 1.00 0.35 H new ATOM 0 HB2 GLU A 94 29.363 -17.529 13.994 1.00 0.48 H new ATOM 0 HB3 GLU A 94 29.823 -19.203 14.234 1.00 0.48 H new ATOM 0 HG2 GLU A 94 32.005 -18.875 13.374 1.00 0.65 H new ATOM 0 HG3 GLU A 94 31.532 -17.488 12.413 1.00 0.65 H new ATOM 1558 N GLN A 95 29.159 -21.129 11.766 1.00 0.78 N ATOM 1559 CA GLN A 95 29.733 -22.436 11.321 1.00 1.36 C ATOM 1560 C GLN A 95 30.260 -22.311 9.880 1.00 1.66 C ATOM 1561 O GLN A 95 31.321 -21.764 9.650 1.00 2.09 O ATOM 1562 CB GLN A 95 28.659 -23.526 11.403 1.00 1.54 C ATOM 1563 CG GLN A 95 28.781 -24.253 12.744 1.00 1.57 C ATOM 1564 CD GLN A 95 27.619 -25.235 12.901 1.00 1.34 C ATOM 1565 OE1 GLN A 95 26.970 -25.266 13.927 1.00 1.60 O ATOM 1566 NE2 GLN A 95 27.331 -26.052 11.924 1.00 1.97 N ATOM 0 H GLN A 95 28.192 -21.160 12.088 1.00 0.78 H new ATOM 0 HA GLN A 95 30.562 -22.708 11.974 1.00 1.36 H new ATOM 0 HB2 GLN A 95 27.667 -23.084 11.304 1.00 1.54 H new ATOM 0 HB3 GLN A 95 28.777 -24.232 10.581 1.00 1.54 H new ATOM 0 HG2 GLN A 95 29.731 -24.786 12.796 1.00 1.57 H new ATOM 0 HG3 GLN A 95 28.775 -23.533 13.562 1.00 1.57 H new ATOM 0 HE21 GLN A 95 27.875 -26.027 11.062 1.00 1.97 H new ATOM 0 HE22 GLN A 95 26.562 -26.715 12.023 1.00 1.97 H new ATOM 1575 N LYS A 96 29.537 -22.806 8.907 1.00 1.57 N ATOM 1576 CA LYS A 96 30.006 -22.707 7.495 1.00 1.94 C ATOM 1577 C LYS A 96 29.002 -23.412 6.580 1.00 1.72 C ATOM 1578 O LYS A 96 28.802 -24.607 6.661 1.00 1.89 O ATOM 1579 CB LYS A 96 31.377 -23.369 7.355 1.00 2.68 C ATOM 1580 CG LYS A 96 32.141 -22.723 6.196 1.00 3.35 C ATOM 1581 CD LYS A 96 33.237 -23.674 5.713 1.00 3.74 C ATOM 1582 CE LYS A 96 34.547 -23.351 6.432 1.00 3.45 C ATOM 1583 NZ LYS A 96 35.090 -24.591 7.052 1.00 2.95 N ATOM 0 H LYS A 96 28.640 -23.275 9.032 1.00 1.57 H new ATOM 0 HA LYS A 96 30.087 -21.657 7.213 1.00 1.94 H new ATOM 0 HB2 LYS A 96 31.941 -23.261 8.281 1.00 2.68 H new ATOM 0 HB3 LYS A 96 31.260 -24.438 7.176 1.00 2.68 H new ATOM 0 HG2 LYS A 96 31.457 -22.494 5.379 1.00 3.35 H new ATOM 0 HG3 LYS A 96 32.580 -21.779 6.518 1.00 3.35 H new ATOM 0 HD2 LYS A 96 32.948 -24.707 5.907 1.00 3.74 H new ATOM 0 HD3 LYS A 96 33.368 -23.577 4.635 1.00 3.74 H new ATOM 0 HE2 LYS A 96 35.269 -22.937 5.728 1.00 3.45 H new ATOM 0 HE3 LYS A 96 34.378 -22.593 7.197 1.00 3.45 H new ATOM 0 HZ1 LYS A 96 35.981 -24.373 7.542 1.00 2.95 H new ATOM 0 HZ2 LYS A 96 34.402 -24.967 7.736 1.00 2.95 H new ATOM 0 HZ3 LYS A 96 35.266 -25.301 6.312 1.00 2.95 H new ATOM 1597 N GLY A 97 28.359 -22.673 5.721 1.00 1.50 N ATOM 1598 CA GLY A 97 27.348 -23.281 4.806 1.00 1.29 C ATOM 1599 C GLY A 97 25.955 -22.797 5.218 1.00 1.27 C ATOM 1600 O GLY A 97 24.956 -23.161 4.633 1.00 1.56 O ATOM 0 H GLY A 97 28.490 -21.667 5.611 1.00 1.50 H new ATOM 0 HA2 GLY A 97 27.555 -22.999 3.774 1.00 1.29 H new ATOM 0 HA3 GLY A 97 27.400 -24.369 4.856 1.00 1.29 H new ATOM 1604 N LEU A 98 25.897 -21.971 6.225 1.00 0.97 N ATOM 1605 CA LEU A 98 24.600 -21.435 6.705 1.00 1.00 C ATOM 1606 C LEU A 98 24.714 -19.912 6.726 1.00 0.40 C ATOM 1607 O LEU A 98 25.799 -19.372 6.770 1.00 0.11 O ATOM 1608 CB LEU A 98 24.246 -21.948 8.096 1.00 1.46 C ATOM 1609 CG LEU A 98 25.477 -21.966 8.952 1.00 1.44 C ATOM 1610 CD1 LEU A 98 25.082 -22.227 10.406 1.00 1.99 C ATOM 1611 CD2 LEU A 98 26.379 -23.087 8.464 1.00 3.24 C ATOM 0 H LEU A 98 26.711 -21.641 6.743 1.00 0.97 H new ATOM 0 HA LEU A 98 23.805 -21.767 6.037 1.00 1.00 H new ATOM 0 HB2 LEU A 98 23.486 -21.311 8.547 1.00 1.46 H new ATOM 0 HB3 LEU A 98 23.823 -22.950 8.029 1.00 1.46 H new ATOM 0 HG LEU A 98 25.995 -21.009 8.889 1.00 1.44 H new ATOM 0 HD11 LEU A 98 25.976 -22.240 11.029 1.00 1.99 H new ATOM 0 HD12 LEU A 98 24.413 -21.438 10.748 1.00 1.99 H new ATOM 0 HD13 LEU A 98 24.575 -23.189 10.478 1.00 1.99 H new ATOM 0 HD21 LEU A 98 27.282 -23.119 9.073 1.00 3.24 H new ATOM 0 HD22 LEU A 98 25.853 -24.038 8.545 1.00 3.24 H new ATOM 0 HD23 LEU A 98 26.650 -22.909 7.423 1.00 3.24 H new ATOM 1623 N THR A 99 23.629 -19.211 6.667 1.00 0.34 N ATOM 1624 CA THR A 99 23.736 -17.716 6.654 1.00 0.35 C ATOM 1625 C THR A 99 22.749 -17.070 7.616 1.00 0.29 C ATOM 1626 O THR A 99 21.813 -17.685 8.088 1.00 0.62 O ATOM 1627 CB THR A 99 23.438 -17.185 5.247 1.00 0.91 C ATOM 1628 OG1 THR A 99 23.532 -18.248 4.309 1.00 1.59 O ATOM 1629 CG2 THR A 99 24.443 -16.094 4.892 1.00 1.84 C ATOM 0 H THR A 99 22.682 -19.589 6.627 1.00 0.34 H new ATOM 0 HA THR A 99 24.751 -17.464 6.962 1.00 0.35 H new ATOM 0 HB THR A 99 22.431 -16.770 5.220 1.00 0.91 H new ATOM 0 HG1 THR A 99 23.499 -17.885 3.399 1.00 1.59 H new ATOM 0 HG21 THR A 99 24.232 -15.716 3.892 1.00 1.84 H new ATOM 0 HG22 THR A 99 24.365 -15.279 5.612 1.00 1.84 H new ATOM 0 HG23 THR A 99 25.452 -16.506 4.919 1.00 1.84 H new ATOM 1637 N LEU A 100 22.930 -15.798 7.849 1.00 0.74 N ATOM 1638 CA LEU A 100 22.002 -15.059 8.698 1.00 0.80 C ATOM 1639 C LEU A 100 21.363 -14.043 7.782 1.00 0.78 C ATOM 1640 O LEU A 100 22.019 -13.265 7.119 1.00 1.01 O ATOM 1641 CB LEU A 100 22.706 -14.327 9.864 1.00 1.15 C ATOM 1642 CG LEU A 100 24.195 -14.050 9.595 1.00 1.27 C ATOM 1643 CD1 LEU A 100 24.971 -15.340 9.317 1.00 2.85 C ATOM 1644 CD2 LEU A 100 24.329 -13.088 8.417 1.00 1.45 C ATOM 0 H LEU A 100 23.700 -15.246 7.472 1.00 0.74 H new ATOM 0 HA LEU A 100 21.289 -15.741 9.161 1.00 0.80 H new ATOM 0 HB2 LEU A 100 22.196 -13.382 10.052 1.00 1.15 H new ATOM 0 HB3 LEU A 100 22.612 -14.926 10.770 1.00 1.15 H new ATOM 0 HG LEU A 100 24.624 -13.599 10.490 1.00 1.27 H new ATOM 0 HD11 LEU A 100 26.018 -15.102 9.132 1.00 2.85 H new ATOM 0 HD12 LEU A 100 24.896 -16.002 10.179 1.00 2.85 H new ATOM 0 HD13 LEU A 100 24.551 -15.835 8.441 1.00 2.85 H new ATOM 0 HD21 LEU A 100 25.384 -12.891 8.226 1.00 1.45 H new ATOM 0 HD22 LEU A 100 23.877 -13.533 7.531 1.00 1.45 H new ATOM 0 HD23 LEU A 100 23.822 -12.152 8.652 1.00 1.45 H new ATOM 1656 N VAL A 101 20.095 -14.075 7.726 1.00 0.54 N ATOM 1657 CA VAL A 101 19.361 -13.147 6.838 1.00 0.50 C ATOM 1658 C VAL A 101 18.058 -12.713 7.510 1.00 0.33 C ATOM 1659 O VAL A 101 17.307 -13.553 7.946 1.00 0.30 O ATOM 1660 CB VAL A 101 19.051 -13.903 5.539 1.00 0.45 C ATOM 1661 CG1 VAL A 101 18.263 -15.171 5.868 1.00 0.66 C ATOM 1662 CG2 VAL A 101 18.213 -13.025 4.609 1.00 0.57 C ATOM 0 H VAL A 101 19.508 -14.713 8.263 1.00 0.54 H new ATOM 0 HA VAL A 101 19.955 -12.257 6.632 1.00 0.50 H new ATOM 0 HB VAL A 101 19.988 -14.161 5.046 1.00 0.45 H new ATOM 0 HG11 VAL A 101 18.041 -15.711 4.947 1.00 0.66 H new ATOM 0 HG12 VAL A 101 18.855 -15.806 6.527 1.00 0.66 H new ATOM 0 HG13 VAL A 101 17.331 -14.902 6.364 1.00 0.66 H new ATOM 0 HG21 VAL A 101 17.998 -13.570 3.690 1.00 0.57 H new ATOM 0 HG22 VAL A 101 17.277 -12.762 5.102 1.00 0.57 H new ATOM 0 HG23 VAL A 101 18.766 -12.116 4.371 1.00 0.57 H new ATOM 1672 N PRO A 102 17.791 -11.426 7.524 1.00 0.48 N ATOM 1673 CA PRO A 102 16.538 -10.897 8.096 1.00 0.35 C ATOM 1674 C PRO A 102 15.402 -11.426 7.215 1.00 0.32 C ATOM 1675 O PRO A 102 14.973 -10.793 6.270 1.00 0.76 O ATOM 1676 CB PRO A 102 16.712 -9.374 8.012 1.00 0.38 C ATOM 1677 CG PRO A 102 17.803 -9.127 6.949 1.00 0.53 C ATOM 1678 CD PRO A 102 18.675 -10.399 6.944 1.00 0.82 C ATOM 0 HA PRO A 102 16.315 -11.188 9.123 1.00 0.35 H new ATOM 0 HB2 PRO A 102 15.777 -8.890 7.731 1.00 0.38 H new ATOM 0 HB3 PRO A 102 17.007 -8.961 8.977 1.00 0.38 H new ATOM 0 HG2 PRO A 102 17.361 -8.951 5.968 1.00 0.53 H new ATOM 0 HG3 PRO A 102 18.396 -8.246 7.194 1.00 0.53 H new ATOM 0 HD2 PRO A 102 18.991 -10.665 5.935 1.00 0.82 H new ATOM 0 HD3 PRO A 102 19.580 -10.267 7.537 1.00 0.82 H new ATOM 1686 N LEU A 103 14.978 -12.631 7.488 1.00 0.63 N ATOM 1687 CA LEU A 103 13.942 -13.300 6.654 1.00 0.54 C ATOM 1688 C LEU A 103 12.727 -12.412 6.395 1.00 0.42 C ATOM 1689 O LEU A 103 12.159 -12.460 5.333 1.00 0.53 O ATOM 1690 CB LEU A 103 13.513 -14.601 7.338 1.00 0.54 C ATOM 1691 CG LEU A 103 12.736 -14.292 8.616 1.00 1.85 C ATOM 1692 CD1 LEU A 103 11.301 -14.800 8.476 1.00 2.48 C ATOM 1693 CD2 LEU A 103 13.412 -14.985 9.802 1.00 3.21 C ATOM 0 H LEU A 103 15.315 -13.190 8.272 1.00 0.63 H new ATOM 0 HA LEU A 103 14.384 -13.511 5.680 1.00 0.54 H new ATOM 0 HB2 LEU A 103 12.894 -15.190 6.661 1.00 0.54 H new ATOM 0 HB3 LEU A 103 14.390 -15.203 7.573 1.00 0.54 H new ATOM 0 HG LEU A 103 12.723 -13.215 8.784 1.00 1.85 H new ATOM 0 HD11 LEU A 103 10.746 -14.580 9.388 1.00 2.48 H new ATOM 0 HD12 LEU A 103 10.821 -14.306 7.631 1.00 2.48 H new ATOM 0 HD13 LEU A 103 11.311 -15.877 8.309 1.00 2.48 H new ATOM 0 HD21 LEU A 103 12.859 -14.766 10.715 1.00 3.21 H new ATOM 0 HD22 LEU A 103 13.424 -16.062 9.635 1.00 3.21 H new ATOM 0 HD23 LEU A 103 14.435 -14.621 9.901 1.00 3.21 H new ATOM 1705 N LYS A 104 12.304 -11.604 7.311 1.00 0.22 N ATOM 1706 CA LYS A 104 11.115 -10.773 6.995 1.00 0.15 C ATOM 1707 C LYS A 104 11.348 -9.335 7.431 1.00 0.17 C ATOM 1708 O LYS A 104 11.587 -9.051 8.588 1.00 0.26 O ATOM 1709 CB LYS A 104 9.898 -11.338 7.730 1.00 0.28 C ATOM 1710 CG LYS A 104 8.965 -12.010 6.719 1.00 0.38 C ATOM 1711 CD LYS A 104 7.524 -11.567 6.978 1.00 0.26 C ATOM 1712 CE LYS A 104 6.937 -12.379 8.135 1.00 0.47 C ATOM 1713 NZ LYS A 104 5.801 -13.207 7.639 1.00 0.55 N ATOM 0 H LYS A 104 12.711 -11.480 8.238 1.00 0.22 H new ATOM 0 HA LYS A 104 10.941 -10.791 5.919 1.00 0.15 H new ATOM 0 HB2 LYS A 104 10.216 -12.058 8.484 1.00 0.28 H new ATOM 0 HB3 LYS A 104 9.372 -10.540 8.254 1.00 0.28 H new ATOM 0 HG2 LYS A 104 9.261 -11.745 5.704 1.00 0.38 H new ATOM 0 HG3 LYS A 104 9.043 -13.094 6.801 1.00 0.38 H new ATOM 0 HD2 LYS A 104 7.497 -10.504 7.216 1.00 0.26 H new ATOM 0 HD3 LYS A 104 6.923 -11.708 6.080 1.00 0.26 H new ATOM 0 HE2 LYS A 104 7.705 -13.020 8.569 1.00 0.47 H new ATOM 0 HE3 LYS A 104 6.595 -11.710 8.925 1.00 0.47 H new ATOM 0 HZ1 LYS A 104 5.403 -13.758 8.426 1.00 0.55 H new ATOM 0 HZ2 LYS A 104 5.066 -12.587 7.244 1.00 0.55 H new ATOM 0 HZ3 LYS A 104 6.141 -13.855 6.900 1.00 0.55 H new ATOM 1727 N ILE A 105 11.249 -8.423 6.510 1.00 0.12 N ATOM 1728 CA ILE A 105 11.433 -6.991 6.868 1.00 0.13 C ATOM 1729 C ILE A 105 10.082 -6.283 6.732 1.00 0.11 C ATOM 1730 O ILE A 105 9.587 -6.081 5.646 1.00 0.19 O ATOM 1731 CB ILE A 105 12.457 -6.345 5.924 1.00 0.20 C ATOM 1732 CG1 ILE A 105 13.868 -6.506 6.506 1.00 0.26 C ATOM 1733 CG2 ILE A 105 12.143 -4.855 5.768 1.00 0.21 C ATOM 1734 CD1 ILE A 105 14.825 -5.519 5.825 1.00 0.34 C ATOM 0 H ILE A 105 11.049 -8.605 5.526 1.00 0.12 H new ATOM 0 HA ILE A 105 11.800 -6.905 7.891 1.00 0.13 H new ATOM 0 HB ILE A 105 12.405 -6.833 4.951 1.00 0.20 H new ATOM 0 HG12 ILE A 105 13.851 -6.327 7.581 1.00 0.26 H new ATOM 0 HG13 ILE A 105 14.218 -7.528 6.358 1.00 0.26 H new ATOM 0 HG21 ILE A 105 12.871 -4.398 5.098 1.00 0.21 H new ATOM 0 HG22 ILE A 105 11.142 -4.736 5.353 1.00 0.21 H new ATOM 0 HG23 ILE A 105 12.192 -4.369 6.742 1.00 0.21 H new ATOM 0 HD11 ILE A 105 15.826 -5.637 6.241 1.00 0.34 H new ATOM 0 HD12 ILE A 105 14.852 -5.718 4.754 1.00 0.34 H new ATOM 0 HD13 ILE A 105 14.479 -4.500 5.996 1.00 0.34 H new ATOM 1746 N TYR A 106 9.482 -5.901 7.826 1.00 0.14 N ATOM 1747 CA TYR A 106 8.165 -5.205 7.757 1.00 0.20 C ATOM 1748 C TYR A 106 8.397 -3.724 8.026 1.00 0.10 C ATOM 1749 O TYR A 106 9.204 -3.362 8.853 1.00 0.26 O ATOM 1750 CB TYR A 106 7.216 -5.783 8.809 1.00 0.40 C ATOM 1751 CG TYR A 106 6.444 -6.936 8.212 1.00 0.70 C ATOM 1752 CD1 TYR A 106 6.895 -7.545 7.036 1.00 1.03 C ATOM 1753 CD2 TYR A 106 5.277 -7.397 8.836 1.00 1.36 C ATOM 1754 CE1 TYR A 106 6.182 -8.615 6.484 1.00 1.35 C ATOM 1755 CE2 TYR A 106 4.562 -8.467 8.283 1.00 1.78 C ATOM 1756 CZ TYR A 106 5.015 -9.075 7.107 1.00 1.60 C ATOM 1757 OH TYR A 106 4.314 -10.130 6.562 1.00 2.07 O ATOM 0 H TYR A 106 9.848 -6.041 8.768 1.00 0.14 H new ATOM 0 HA TYR A 106 7.716 -5.343 6.773 1.00 0.20 H new ATOM 0 HB2 TYR A 106 7.781 -6.121 9.678 1.00 0.40 H new ATOM 0 HB3 TYR A 106 6.528 -5.012 9.156 1.00 0.40 H new ATOM 0 HD1 TYR A 106 7.794 -7.189 6.554 1.00 1.03 H new ATOM 0 HD2 TYR A 106 4.929 -6.927 9.744 1.00 1.36 H new ATOM 0 HE1 TYR A 106 6.532 -9.086 5.577 1.00 1.35 H new ATOM 0 HE2 TYR A 106 3.662 -8.822 8.764 1.00 1.78 H new ATOM 0 HH TYR A 106 3.531 -10.324 7.118 1.00 2.07 H new ATOM 1767 N PHE A 107 7.734 -2.864 7.308 1.00 0.23 N ATOM 1768 CA PHE A 107 7.976 -1.407 7.496 1.00 0.13 C ATOM 1769 C PHE A 107 6.672 -0.652 7.789 1.00 0.19 C ATOM 1770 O PHE A 107 5.601 -1.055 7.382 1.00 0.29 O ATOM 1771 CB PHE A 107 8.575 -0.859 6.199 1.00 0.14 C ATOM 1772 CG PHE A 107 10.078 -0.746 6.318 1.00 0.12 C ATOM 1773 CD1 PHE A 107 10.882 -1.891 6.228 1.00 0.09 C ATOM 1774 CD2 PHE A 107 10.670 0.512 6.490 1.00 0.19 C ATOM 1775 CE1 PHE A 107 12.273 -1.778 6.310 1.00 0.10 C ATOM 1776 CE2 PHE A 107 12.065 0.622 6.563 1.00 0.21 C ATOM 1777 CZ PHE A 107 12.865 -0.522 6.474 1.00 0.14 C ATOM 0 H PHE A 107 7.038 -3.104 6.602 1.00 0.23 H new ATOM 0 HA PHE A 107 8.647 -1.268 8.343 1.00 0.13 H new ATOM 0 HB2 PHE A 107 8.318 -1.515 5.367 1.00 0.14 H new ATOM 0 HB3 PHE A 107 8.147 0.119 5.978 1.00 0.14 H new ATOM 0 HD1 PHE A 107 10.426 -2.861 6.095 1.00 0.09 H new ATOM 0 HD2 PHE A 107 10.053 1.395 6.566 1.00 0.19 H new ATOM 0 HE1 PHE A 107 12.891 -2.662 6.247 1.00 0.10 H new ATOM 0 HE2 PHE A 107 12.523 1.592 6.688 1.00 0.21 H new ATOM 0 HZ PHE A 107 13.940 -0.435 6.532 1.00 0.14 H new ATOM 1787 N ASN A 108 6.769 0.460 8.482 1.00 0.18 N ATOM 1788 CA ASN A 108 5.551 1.268 8.790 1.00 0.32 C ATOM 1789 C ASN A 108 5.868 2.762 8.624 1.00 0.52 C ATOM 1790 O ASN A 108 7.012 3.163 8.584 1.00 0.79 O ATOM 1791 CB ASN A 108 5.092 0.991 10.223 1.00 0.22 C ATOM 1792 CG ASN A 108 4.711 -0.483 10.359 1.00 0.98 C ATOM 1793 OD1 ASN A 108 4.056 -1.064 9.392 1.00 3.12 O flip ATOM 1794 ND2 ASN A 108 5.013 -1.112 11.354 1.00 1.43 N flip ATOM 0 H ASN A 108 7.642 0.841 8.847 1.00 0.18 H new ATOM 0 HA ASN A 108 4.753 0.991 8.102 1.00 0.32 H new ATOM 0 HB2 ASN A 108 5.888 1.238 10.926 1.00 0.22 H new ATOM 0 HB3 ASN A 108 4.239 1.623 10.472 1.00 0.22 H new ATOM 0 HD21 ASN A 108 5.525 -0.657 12.109 1.00 1.43 H new ATOM 0 HD22 ASN A 108 4.754 -2.095 11.434 1.00 1.43 H new ATOM 1801 N GLU A 109 4.854 3.583 8.508 1.00 0.60 N ATOM 1802 CA GLU A 109 5.076 5.052 8.318 1.00 0.82 C ATOM 1803 C GLU A 109 5.578 5.712 9.606 1.00 0.75 C ATOM 1804 O GLU A 109 5.847 6.897 9.635 1.00 0.97 O ATOM 1805 CB GLU A 109 3.759 5.709 7.899 1.00 1.02 C ATOM 1806 CG GLU A 109 4.034 7.126 7.394 1.00 1.26 C ATOM 1807 CD GLU A 109 3.790 8.129 8.521 1.00 1.14 C ATOM 1808 OE1 GLU A 109 2.747 8.042 9.150 1.00 1.09 O ATOM 1809 OE2 GLU A 109 4.648 8.969 8.736 1.00 2.44 O ATOM 0 H GLU A 109 3.875 3.298 8.537 1.00 0.60 H new ATOM 0 HA GLU A 109 5.834 5.186 7.546 1.00 0.82 H new ATOM 0 HB2 GLU A 109 3.279 5.120 7.118 1.00 1.02 H new ATOM 0 HB3 GLU A 109 3.071 5.740 8.744 1.00 1.02 H new ATOM 0 HG2 GLU A 109 5.062 7.204 7.041 1.00 1.26 H new ATOM 0 HG3 GLU A 109 3.388 7.352 6.546 1.00 1.26 H new ATOM 1816 N ARG A 110 5.697 4.976 10.674 1.00 0.49 N ATOM 1817 CA ARG A 110 6.169 5.598 11.945 1.00 0.51 C ATOM 1818 C ARG A 110 7.683 5.414 12.098 1.00 0.56 C ATOM 1819 O ARG A 110 8.237 5.675 13.145 1.00 0.71 O ATOM 1820 CB ARG A 110 5.463 4.929 13.129 1.00 0.40 C ATOM 1821 CG ARG A 110 4.075 5.543 13.316 1.00 1.25 C ATOM 1822 CD ARG A 110 4.089 6.494 14.515 1.00 1.60 C ATOM 1823 NE ARG A 110 2.792 7.224 14.586 1.00 3.14 N ATOM 1824 CZ ARG A 110 1.735 6.739 13.992 1.00 4.67 C ATOM 1825 NH1 ARG A 110 1.570 6.912 12.710 1.00 6.28 N ATOM 1826 NH2 ARG A 110 0.844 6.079 14.681 1.00 4.79 N ATOM 0 H ARG A 110 5.490 3.978 10.724 1.00 0.49 H new ATOM 0 HA ARG A 110 5.939 6.663 11.923 1.00 0.51 H new ATOM 0 HB2 ARG A 110 5.376 3.857 12.954 1.00 0.40 H new ATOM 0 HB3 ARG A 110 6.053 5.057 14.036 1.00 0.40 H new ATOM 0 HG2 ARG A 110 3.781 6.082 12.415 1.00 1.25 H new ATOM 0 HG3 ARG A 110 3.337 4.756 13.472 1.00 1.25 H new ATOM 0 HD2 ARG A 110 4.254 5.934 15.435 1.00 1.60 H new ATOM 0 HD3 ARG A 110 4.912 7.202 14.421 1.00 1.60 H new ATOM 0 HE ARG A 110 2.730 8.103 15.099 1.00 3.14 H new ATOM 0 HH11 ARG A 110 2.267 7.426 12.171 1.00 6.28 H new ATOM 0 HH12 ARG A 110 0.744 6.533 12.246 1.00 6.28 H new ATOM 0 HH21 ARG A 110 0.973 5.942 15.683 1.00 4.79 H new ATOM 0 HH22 ARG A 110 0.018 5.700 14.217 1.00 4.79 H new ATOM 1840 N GLY A 111 8.359 4.959 11.077 1.00 0.54 N ATOM 1841 CA GLY A 111 9.832 4.748 11.210 1.00 0.55 C ATOM 1842 C GLY A 111 10.055 3.509 12.053 1.00 0.44 C ATOM 1843 O GLY A 111 11.087 3.328 12.668 1.00 0.51 O ATOM 0 H GLY A 111 7.962 4.726 10.167 1.00 0.54 H new ATOM 0 HA2 GLY A 111 10.290 4.628 10.228 1.00 0.55 H new ATOM 0 HA3 GLY A 111 10.300 5.615 11.676 1.00 0.55 H new ATOM 1847 N TYR A 112 9.089 2.644 12.065 1.00 0.35 N ATOM 1848 CA TYR A 112 9.225 1.397 12.843 1.00 0.28 C ATOM 1849 C TYR A 112 9.087 0.216 11.894 1.00 0.24 C ATOM 1850 O TYR A 112 8.011 -0.112 11.437 1.00 0.24 O ATOM 1851 CB TYR A 112 8.123 1.324 13.902 1.00 0.24 C ATOM 1852 CG TYR A 112 8.585 2.022 15.157 1.00 1.15 C ATOM 1853 CD1 TYR A 112 8.692 3.415 15.177 1.00 1.86 C ATOM 1854 CD2 TYR A 112 8.908 1.279 16.296 1.00 1.68 C ATOM 1855 CE1 TYR A 112 9.124 4.070 16.336 1.00 2.68 C ATOM 1856 CE2 TYR A 112 9.339 1.932 17.458 1.00 2.51 C ATOM 1857 CZ TYR A 112 9.448 3.329 17.478 1.00 2.92 C ATOM 1858 OH TYR A 112 9.875 3.973 18.619 1.00 3.79 O ATOM 0 H TYR A 112 8.206 2.750 11.565 1.00 0.35 H new ATOM 0 HA TYR A 112 10.197 1.375 13.337 1.00 0.28 H new ATOM 0 HB2 TYR A 112 7.212 1.791 13.527 1.00 0.24 H new ATOM 0 HB3 TYR A 112 7.881 0.284 14.120 1.00 0.24 H new ATOM 0 HD1 TYR A 112 8.441 3.987 14.296 1.00 1.86 H new ATOM 0 HD2 TYR A 112 8.825 0.202 16.280 1.00 1.68 H new ATOM 0 HE1 TYR A 112 9.207 5.147 16.349 1.00 2.68 H new ATOM 0 HE2 TYR A 112 9.587 1.359 18.339 1.00 2.51 H new ATOM 0 HH TYR A 112 10.057 3.312 19.319 1.00 3.79 H new ATOM 1868 N ALA A 113 10.166 -0.443 11.625 1.00 0.25 N ATOM 1869 CA ALA A 113 10.114 -1.630 10.744 1.00 0.26 C ATOM 1870 C ALA A 113 10.551 -2.800 11.602 1.00 0.34 C ATOM 1871 O ALA A 113 11.506 -2.702 12.345 1.00 0.33 O ATOM 1872 CB ALA A 113 11.060 -1.452 9.551 1.00 0.24 C ATOM 0 H ALA A 113 11.093 -0.209 11.981 1.00 0.25 H new ATOM 0 HA ALA A 113 9.115 -1.786 10.337 1.00 0.26 H new ATOM 0 HB1 ALA A 113 11.010 -2.334 8.912 1.00 0.24 H new ATOM 0 HB2 ALA A 113 10.763 -0.573 8.979 1.00 0.24 H new ATOM 0 HB3 ALA A 113 12.080 -1.323 9.912 1.00 0.24 H new ATOM 1878 N LYS A 114 9.869 -3.898 11.547 1.00 0.44 N ATOM 1879 CA LYS A 114 10.294 -5.023 12.423 1.00 0.54 C ATOM 1880 C LYS A 114 11.098 -6.018 11.598 1.00 0.58 C ATOM 1881 O LYS A 114 10.714 -6.397 10.515 1.00 0.58 O ATOM 1882 CB LYS A 114 9.058 -5.720 13.006 1.00 0.63 C ATOM 1883 CG LYS A 114 8.463 -4.869 14.135 1.00 0.61 C ATOM 1884 CD LYS A 114 8.232 -5.748 15.368 1.00 0.65 C ATOM 1885 CE LYS A 114 7.048 -5.205 16.173 1.00 1.04 C ATOM 1886 NZ LYS A 114 7.188 -3.729 16.328 1.00 1.15 N ATOM 0 H LYS A 114 9.057 -4.070 10.954 1.00 0.44 H new ATOM 0 HA LYS A 114 10.906 -4.640 13.239 1.00 0.54 H new ATOM 0 HB2 LYS A 114 8.314 -5.874 12.224 1.00 0.63 H new ATOM 0 HB3 LYS A 114 9.330 -6.705 13.386 1.00 0.63 H new ATOM 0 HG2 LYS A 114 9.137 -4.049 14.381 1.00 0.61 H new ATOM 0 HG3 LYS A 114 7.523 -4.423 13.812 1.00 0.61 H new ATOM 0 HD2 LYS A 114 8.036 -6.776 15.063 1.00 0.65 H new ATOM 0 HD3 LYS A 114 9.129 -5.765 15.988 1.00 0.65 H new ATOM 0 HE2 LYS A 114 6.112 -5.441 15.667 1.00 1.04 H new ATOM 0 HE3 LYS A 114 7.011 -5.682 17.152 1.00 1.04 H new ATOM 0 HZ1 LYS A 114 6.675 -3.419 17.178 1.00 1.15 H new ATOM 0 HZ2 LYS A 114 8.194 -3.484 16.422 1.00 1.15 H new ATOM 0 HZ3 LYS A 114 6.792 -3.253 15.492 1.00 1.15 H new ATOM 1900 N VAL A 115 12.226 -6.431 12.100 1.00 0.62 N ATOM 1901 CA VAL A 115 13.065 -7.388 11.329 1.00 0.66 C ATOM 1902 C VAL A 115 13.236 -8.704 12.087 1.00 0.70 C ATOM 1903 O VAL A 115 13.792 -8.749 13.165 1.00 0.54 O ATOM 1904 CB VAL A 115 14.445 -6.774 11.090 1.00 0.62 C ATOM 1905 CG1 VAL A 115 15.445 -7.881 10.756 1.00 0.78 C ATOM 1906 CG2 VAL A 115 14.369 -5.791 9.921 1.00 0.50 C ATOM 0 H VAL A 115 12.602 -6.150 13.005 1.00 0.62 H new ATOM 0 HA VAL A 115 12.567 -7.591 10.381 1.00 0.66 H new ATOM 0 HB VAL A 115 14.769 -6.249 11.989 1.00 0.62 H new ATOM 0 HG11 VAL A 115 16.429 -7.443 10.586 1.00 0.78 H new ATOM 0 HG12 VAL A 115 15.500 -8.585 11.587 1.00 0.78 H new ATOM 0 HG13 VAL A 115 15.121 -8.405 9.857 1.00 0.78 H new ATOM 0 HG21 VAL A 115 15.352 -5.353 9.750 1.00 0.50 H new ATOM 0 HG22 VAL A 115 14.045 -6.318 9.023 1.00 0.50 H new ATOM 0 HG23 VAL A 115 13.655 -5.001 10.156 1.00 0.50 H new ATOM 1916 N LEU A 116 12.795 -9.781 11.505 1.00 0.89 N ATOM 1917 CA LEU A 116 12.964 -11.109 12.153 1.00 0.91 C ATOM 1918 C LEU A 116 14.007 -11.869 11.338 1.00 0.91 C ATOM 1919 O LEU A 116 13.805 -12.142 10.173 1.00 1.21 O ATOM 1920 CB LEU A 116 11.635 -11.872 12.138 1.00 1.12 C ATOM 1921 CG LEU A 116 11.611 -12.883 13.286 1.00 0.81 C ATOM 1922 CD1 LEU A 116 10.238 -12.865 13.963 1.00 1.31 C ATOM 1923 CD2 LEU A 116 11.883 -14.282 12.732 1.00 0.38 C ATOM 0 H LEU A 116 12.321 -9.799 10.602 1.00 0.89 H new ATOM 0 HA LEU A 116 13.279 -11.000 13.191 1.00 0.91 H new ATOM 0 HB2 LEU A 116 10.803 -11.175 12.236 1.00 1.12 H new ATOM 0 HB3 LEU A 116 11.510 -12.386 11.185 1.00 1.12 H new ATOM 0 HG LEU A 116 12.376 -12.619 14.016 1.00 0.81 H new ATOM 0 HD11 LEU A 116 10.226 -13.587 14.780 1.00 1.31 H new ATOM 0 HD12 LEU A 116 10.039 -11.868 14.356 1.00 1.31 H new ATOM 0 HD13 LEU A 116 9.470 -13.128 13.235 1.00 1.31 H new ATOM 0 HD21 LEU A 116 11.867 -15.006 13.547 1.00 0.38 H new ATOM 0 HD22 LEU A 116 11.115 -14.540 12.002 1.00 0.38 H new ATOM 0 HD23 LEU A 116 12.861 -14.299 12.251 1.00 0.38 H new ATOM 1935 N LEU A 117 15.136 -12.188 11.908 1.00 0.63 N ATOM 1936 CA LEU A 117 16.169 -12.893 11.105 1.00 0.70 C ATOM 1937 C LEU A 117 16.148 -14.377 11.381 1.00 0.58 C ATOM 1938 O LEU A 117 15.897 -14.826 12.481 1.00 0.58 O ATOM 1939 CB LEU A 117 17.562 -12.353 11.418 1.00 0.84 C ATOM 1940 CG LEU A 117 18.597 -13.140 10.610 1.00 0.91 C ATOM 1941 CD1 LEU A 117 19.660 -12.176 10.074 1.00 2.51 C ATOM 1942 CD2 LEU A 117 19.251 -14.200 11.494 1.00 2.57 C ATOM 0 H LEU A 117 15.384 -11.994 12.878 1.00 0.63 H new ATOM 0 HA LEU A 117 15.938 -12.718 10.054 1.00 0.70 H new ATOM 0 HB2 LEU A 117 17.619 -11.293 11.171 1.00 0.84 H new ATOM 0 HB3 LEU A 117 17.770 -12.443 12.484 1.00 0.84 H new ATOM 0 HG LEU A 117 18.104 -13.636 9.774 1.00 0.91 H new ATOM 0 HD11 LEU A 117 20.399 -12.733 9.498 1.00 2.51 H new ATOM 0 HD12 LEU A 117 19.187 -11.432 9.434 1.00 2.51 H new ATOM 0 HD13 LEU A 117 20.152 -11.676 10.909 1.00 2.51 H new ATOM 0 HD21 LEU A 117 19.986 -14.756 10.912 1.00 2.57 H new ATOM 0 HD22 LEU A 117 19.745 -13.717 12.337 1.00 2.57 H new ATOM 0 HD23 LEU A 117 18.489 -14.885 11.865 1.00 2.57 H new ATOM 1954 N GLY A 118 16.428 -15.141 10.376 1.00 0.67 N ATOM 1955 CA GLY A 118 16.446 -16.599 10.544 1.00 0.63 C ATOM 1956 C GLY A 118 17.747 -17.155 9.979 1.00 0.53 C ATOM 1957 O GLY A 118 18.009 -17.099 8.792 1.00 0.66 O ATOM 0 H GLY A 118 16.647 -14.810 9.436 1.00 0.67 H new ATOM 0 HA2 GLY A 118 16.355 -16.856 11.599 1.00 0.63 H new ATOM 0 HA3 GLY A 118 15.594 -17.046 10.033 1.00 0.63 H new ATOM 1961 N LEU A 119 18.550 -17.709 10.832 1.00 0.37 N ATOM 1962 CA LEU A 119 19.834 -18.303 10.393 1.00 0.36 C ATOM 1963 C LEU A 119 19.534 -19.730 10.003 1.00 0.31 C ATOM 1964 O LEU A 119 19.074 -20.513 10.801 1.00 0.23 O ATOM 1965 CB LEU A 119 20.851 -18.252 11.547 1.00 0.39 C ATOM 1966 CG LEU A 119 21.348 -19.663 11.919 1.00 0.38 C ATOM 1967 CD1 LEU A 119 22.171 -20.261 10.778 1.00 0.26 C ATOM 1968 CD2 LEU A 119 22.224 -19.571 13.164 1.00 0.46 C ATOM 0 H LEU A 119 18.368 -17.777 11.833 1.00 0.37 H new ATOM 0 HA LEU A 119 20.265 -17.758 9.553 1.00 0.36 H new ATOM 0 HB2 LEU A 119 21.699 -17.630 11.260 1.00 0.39 H new ATOM 0 HB3 LEU A 119 20.392 -17.784 12.418 1.00 0.39 H new ATOM 0 HG LEU A 119 20.485 -20.301 12.106 1.00 0.38 H new ATOM 0 HD11 LEU A 119 22.513 -21.257 11.059 1.00 0.26 H new ATOM 0 HD12 LEU A 119 21.555 -20.329 9.881 1.00 0.26 H new ATOM 0 HD13 LEU A 119 23.033 -19.624 10.579 1.00 0.26 H new ATOM 0 HD21 LEU A 119 22.579 -20.566 13.433 1.00 0.46 H new ATOM 0 HD22 LEU A 119 23.077 -18.923 12.962 1.00 0.46 H new ATOM 0 HD23 LEU A 119 21.643 -19.158 13.988 1.00 0.46 H new ATOM 1980 N ALA A 120 19.733 -20.077 8.782 1.00 0.43 N ATOM 1981 CA ALA A 120 19.398 -21.457 8.381 1.00 0.38 C ATOM 1982 C ALA A 120 20.647 -22.297 8.448 1.00 0.39 C ATOM 1983 O ALA A 120 21.687 -21.907 7.970 1.00 0.44 O ATOM 1984 CB ALA A 120 18.865 -21.456 6.958 1.00 0.32 C ATOM 0 H ALA A 120 20.108 -19.477 8.047 1.00 0.43 H new ATOM 0 HA ALA A 120 18.639 -21.864 9.049 1.00 0.38 H new ATOM 0 HB1 ALA A 120 18.617 -22.475 6.661 1.00 0.32 H new ATOM 0 HB2 ALA A 120 17.971 -20.835 6.905 1.00 0.32 H new ATOM 0 HB3 ALA A 120 19.624 -21.057 6.285 1.00 0.32 H new ATOM 1990 N ARG A 121 20.559 -23.458 9.017 1.00 0.35 N ATOM 1991 CA ARG A 121 21.776 -24.297 9.081 1.00 0.36 C ATOM 1992 C ARG A 121 21.737 -25.242 7.879 1.00 0.32 C ATOM 1993 O ARG A 121 20.936 -26.139 7.814 1.00 0.27 O ATOM 1994 CB ARG A 121 21.788 -25.104 10.388 1.00 0.32 C ATOM 1995 CG ARG A 121 20.384 -25.150 11.003 1.00 0.33 C ATOM 1996 CD ARG A 121 20.338 -26.215 12.101 1.00 0.38 C ATOM 1997 NE ARG A 121 20.193 -27.562 11.479 1.00 0.27 N ATOM 1998 CZ ARG A 121 19.326 -28.413 11.959 1.00 0.58 C ATOM 1999 NH1 ARG A 121 19.305 -28.676 13.238 1.00 1.02 N ATOM 2000 NH2 ARG A 121 18.477 -28.998 11.158 1.00 0.79 N ATOM 0 H ARG A 121 19.717 -23.856 9.432 1.00 0.35 H new ATOM 0 HA ARG A 121 22.675 -23.681 9.058 1.00 0.36 H new ATOM 0 HB2 ARG A 121 22.140 -26.117 10.194 1.00 0.32 H new ATOM 0 HB3 ARG A 121 22.486 -24.654 11.094 1.00 0.32 H new ATOM 0 HG2 ARG A 121 20.125 -24.175 11.417 1.00 0.33 H new ATOM 0 HG3 ARG A 121 19.646 -25.375 10.233 1.00 0.33 H new ATOM 0 HD2 ARG A 121 21.248 -26.175 12.700 1.00 0.38 H new ATOM 0 HD3 ARG A 121 19.504 -26.022 12.775 1.00 0.38 H new ATOM 0 HE ARG A 121 20.771 -27.819 10.679 1.00 0.27 H new ATOM 0 HH11 ARG A 121 19.966 -28.217 13.864 1.00 1.02 H new ATOM 0 HH12 ARG A 121 18.627 -29.341 13.611 1.00 1.02 H new ATOM 0 HH21 ARG A 121 18.492 -28.790 10.159 1.00 0.79 H new ATOM 0 HH22 ARG A 121 17.799 -29.663 11.531 1.00 0.79 H new ATOM 2014 N GLY A 122 22.592 -25.059 6.917 1.00 0.38 N ATOM 2015 CA GLY A 122 22.546 -25.961 5.732 1.00 0.41 C ATOM 2016 C GLY A 122 23.164 -27.311 6.097 1.00 0.55 C ATOM 2017 O GLY A 122 22.910 -28.316 5.463 1.00 0.65 O ATOM 0 H GLY A 122 23.311 -24.336 6.896 1.00 0.38 H new ATOM 0 HA2 GLY A 122 21.515 -26.097 5.405 1.00 0.41 H new ATOM 0 HA3 GLY A 122 23.089 -25.513 4.899 1.00 0.41 H new