USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 31 THR OG1 : rot -96:sc= -0.789! USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -0.465 F(o=-2.6,f=-1.3) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.0191 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.0578 X(o=-0.039,f=0.019) USER MOD Single : A 1 LYS N :NH3+ -124:sc= 0.0116 (180deg=-0.0081) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00627 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.668 F(o=-1.3,f=-0.67) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc=-0.00829 (180deg=-0.163) USER MOD Single : A 30 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.9!) USER MOD Single : A 33 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0.569 (180deg=0.544) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.958 F(o=-1.5,f=-0.96) USER MOD Single : A 46 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.32) USER MOD Single : A 48 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.92) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0405 (180deg=-0.19) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.117 F(o=-1.9!,f=-0.12) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0535 (180deg=-0.351) USER MOD Single : A 67 ASN : amide:sc= 1.09 K(o=1.1,f=-1.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.946 -9.969 -11.885 1.00 13.00 N ATOM 2 CA LYS A 1 -20.123 -9.194 -10.964 1.00 3.51 C ATOM 3 C LYS A 1 -18.908 -10.003 -10.571 1.00 21.14 C ATOM 4 O LYS A 1 -19.011 -11.216 -10.395 1.00 60.33 O ATOM 5 CB LYS A 1 -20.904 -8.851 -9.688 1.00 41.24 C ATOM 6 CG LYS A 1 -22.129 -7.973 -9.877 1.00 61.14 C ATOM 7 CD LYS A 1 -22.792 -7.720 -8.534 1.00 70.50 C ATOM 8 CE LYS A 1 -24.005 -6.815 -8.648 1.00 13.54 C ATOM 9 NZ LYS A 1 -24.666 -6.624 -7.339 1.00 22.22 N ATOM 0 H1 LYS A 1 -21.089 -9.428 -12.762 1.00 13.00 H new ATOM 0 H2 LYS A 1 -20.469 -10.866 -12.106 1.00 13.00 H new ATOM 0 H3 LYS A 1 -21.868 -10.166 -11.445 1.00 13.00 H new ATOM 0 HA LYS A 1 -19.828 -8.273 -11.466 1.00 3.51 H new ATOM 0 HB2 LYS A 1 -21.217 -9.782 -9.215 1.00 41.24 H new ATOM 0 HB3 LYS A 1 -20.227 -8.353 -8.994 1.00 41.24 H new ATOM 0 HG2 LYS A 1 -21.842 -7.027 -10.336 1.00 61.14 H new ATOM 0 HG3 LYS A 1 -22.833 -8.456 -10.555 1.00 61.14 H new ATOM 0 HD2 LYS A 1 -23.092 -8.672 -8.095 1.00 70.50 H new ATOM 0 HD3 LYS A 1 -22.069 -7.270 -7.854 1.00 70.50 H new ATOM 0 HE2 LYS A 1 -23.702 -5.847 -9.048 1.00 13.54 H new ATOM 0 HE3 LYS A 1 -24.715 -7.244 -9.356 1.00 13.54 H new ATOM 0 HZ1 LYS A 1 -25.490 -6.001 -7.454 1.00 22.22 H new ATOM 0 HZ2 LYS A 1 -24.977 -7.545 -6.970 1.00 22.22 H new ATOM 0 HZ3 LYS A 1 -23.996 -6.192 -6.671 1.00 22.22 H new ATOM 25 N PRO A 2 -17.738 -9.367 -10.435 1.00 71.43 N ATOM 26 CA PRO A 2 -16.557 -10.042 -9.965 1.00 64.01 C ATOM 27 C PRO A 2 -16.561 -10.100 -8.437 1.00 13.33 C ATOM 28 O PRO A 2 -16.271 -9.107 -7.756 1.00 75.45 O ATOM 29 CB PRO A 2 -15.404 -9.184 -10.487 1.00 73.31 C ATOM 30 CG PRO A 2 -15.974 -7.802 -10.635 1.00 53.21 C ATOM 31 CD PRO A 2 -17.480 -7.941 -10.732 1.00 20.32 C ATOM 0 HA PRO A 2 -16.485 -11.074 -10.309 1.00 64.01 H new ATOM 0 HB2 PRO A 2 -14.563 -9.191 -9.793 1.00 73.31 H new ATOM 0 HB3 PRO A 2 -15.033 -9.561 -11.440 1.00 73.31 H new ATOM 0 HG2 PRO A 2 -15.700 -7.180 -9.782 1.00 53.21 H new ATOM 0 HG3 PRO A 2 -15.575 -7.316 -11.525 1.00 53.21 H new ATOM 0 HD2 PRO A 2 -17.986 -7.289 -10.020 1.00 20.32 H new ATOM 0 HD3 PRO A 2 -17.841 -7.670 -11.724 1.00 20.32 H new ATOM 39 N VAL A 3 -16.955 -11.222 -7.903 1.00 1.44 N ATOM 40 CA VAL A 3 -17.055 -11.372 -6.478 1.00 62.34 C ATOM 41 C VAL A 3 -15.983 -12.313 -5.968 1.00 71.41 C ATOM 42 O VAL A 3 -16.112 -13.536 -6.052 1.00 64.32 O ATOM 43 CB VAL A 3 -18.472 -11.851 -6.032 1.00 31.50 C ATOM 44 CG1 VAL A 3 -18.555 -11.989 -4.514 1.00 12.31 C ATOM 45 CG2 VAL A 3 -19.540 -10.882 -6.530 1.00 44.21 C ATOM 0 H VAL A 3 -17.214 -12.051 -8.437 1.00 1.44 H new ATOM 0 HA VAL A 3 -16.899 -10.388 -6.036 1.00 62.34 H new ATOM 0 HB VAL A 3 -18.649 -12.832 -6.472 1.00 31.50 H new ATOM 0 HG11 VAL A 3 -19.553 -12.324 -4.233 1.00 12.31 H new ATOM 0 HG12 VAL A 3 -17.819 -12.717 -4.174 1.00 12.31 H new ATOM 0 HG13 VAL A 3 -18.352 -11.024 -4.049 1.00 12.31 H new ATOM 0 HG21 VAL A 3 -20.523 -11.229 -6.211 1.00 44.21 H new ATOM 0 HG22 VAL A 3 -19.353 -9.891 -6.116 1.00 44.21 H new ATOM 0 HG23 VAL A 3 -19.508 -10.833 -7.618 1.00 44.21 H new ATOM 55 N SER A 4 -14.919 -11.755 -5.479 1.00 41.01 N ATOM 56 CA SER A 4 -13.864 -12.544 -4.950 1.00 34.41 C ATOM 57 C SER A 4 -13.851 -12.486 -3.435 1.00 42.45 C ATOM 58 O SER A 4 -13.066 -11.755 -2.822 1.00 1.13 O ATOM 59 CB SER A 4 -12.516 -12.151 -5.556 1.00 42.03 C ATOM 60 OG SER A 4 -12.539 -12.325 -6.970 1.00 64.32 O ATOM 0 H SER A 4 -14.763 -10.748 -5.438 1.00 41.01 H new ATOM 0 HA SER A 4 -14.043 -13.582 -5.231 1.00 34.41 H new ATOM 0 HB2 SER A 4 -12.290 -11.112 -5.314 1.00 42.03 H new ATOM 0 HB3 SER A 4 -11.723 -12.759 -5.121 1.00 42.03 H new ATOM 0 HG SER A 4 -11.671 -12.068 -7.345 1.00 64.32 H new ATOM 66 N LEU A 5 -14.763 -13.209 -2.832 1.00 2.02 N ATOM 67 CA LEU A 5 -14.836 -13.261 -1.407 1.00 43.10 C ATOM 68 C LEU A 5 -14.192 -14.518 -0.904 1.00 62.14 C ATOM 69 O LEU A 5 -14.841 -15.503 -0.576 1.00 14.35 O ATOM 70 CB LEU A 5 -16.260 -13.073 -0.879 1.00 3.35 C ATOM 71 CG LEU A 5 -16.916 -11.728 -1.205 1.00 3.54 C ATOM 72 CD1 LEU A 5 -18.323 -11.673 -0.660 1.00 34.13 C ATOM 73 CD2 LEU A 5 -16.091 -10.577 -0.656 1.00 63.10 C ATOM 0 H LEU A 5 -15.465 -13.769 -3.316 1.00 2.02 H new ATOM 0 HA LEU A 5 -14.275 -12.414 -1.011 1.00 43.10 H new ATOM 0 HB2 LEU A 5 -16.886 -13.869 -1.283 1.00 3.35 H new ATOM 0 HB3 LEU A 5 -16.246 -13.197 0.204 1.00 3.35 H new ATOM 0 HG LEU A 5 -16.962 -11.631 -2.290 1.00 3.54 H new ATOM 0 HD11 LEU A 5 -18.770 -10.709 -0.903 1.00 34.13 H new ATOM 0 HD12 LEU A 5 -18.917 -12.471 -1.105 1.00 34.13 H new ATOM 0 HD13 LEU A 5 -18.299 -11.799 0.422 1.00 34.13 H new ATOM 0 HD21 LEU A 5 -16.577 -9.632 -0.900 1.00 63.10 H new ATOM 0 HD22 LEU A 5 -16.007 -10.673 0.427 1.00 63.10 H new ATOM 0 HD23 LEU A 5 -15.096 -10.598 -1.100 1.00 63.10 H new ATOM 85 N SER A 6 -12.906 -14.496 -0.964 1.00 61.22 N ATOM 86 CA SER A 6 -12.054 -15.551 -0.524 1.00 62.43 C ATOM 87 C SER A 6 -10.787 -14.877 -0.052 1.00 74.12 C ATOM 88 O SER A 6 -10.109 -14.199 -0.838 1.00 60.50 O ATOM 89 CB SER A 6 -11.768 -16.501 -1.689 1.00 13.12 C ATOM 90 OG SER A 6 -12.979 -17.013 -2.232 1.00 12.12 O ATOM 0 H SER A 6 -12.391 -13.700 -1.341 1.00 61.22 H new ATOM 0 HA SER A 6 -12.504 -16.145 0.272 1.00 62.43 H new ATOM 0 HB2 SER A 6 -11.210 -15.976 -2.464 1.00 13.12 H new ATOM 0 HB3 SER A 6 -11.141 -17.324 -1.347 1.00 13.12 H new ATOM 0 HG SER A 6 -12.774 -17.617 -2.976 1.00 12.12 H new ATOM 96 N TYR A 7 -10.484 -15.015 1.201 1.00 41.44 N ATOM 97 CA TYR A 7 -9.414 -14.281 1.794 1.00 61.41 C ATOM 98 C TYR A 7 -8.091 -14.937 1.768 1.00 5.22 C ATOM 99 O TYR A 7 -7.842 -15.925 2.446 1.00 30.31 O ATOM 100 CB TYR A 7 -9.768 -13.793 3.184 1.00 12.43 C ATOM 101 CG TYR A 7 -10.741 -12.645 3.189 1.00 32.54 C ATOM 102 CD1 TYR A 7 -12.109 -12.853 3.091 1.00 12.23 C ATOM 103 CD2 TYR A 7 -10.281 -11.341 3.288 1.00 61.02 C ATOM 104 CE1 TYR A 7 -12.987 -11.789 3.086 1.00 2.35 C ATOM 105 CE2 TYR A 7 -11.149 -10.277 3.288 1.00 2.22 C ATOM 106 CZ TYR A 7 -12.501 -10.506 3.186 1.00 41.43 C ATOM 107 OH TYR A 7 -13.370 -9.445 3.177 1.00 2.13 O ATOM 0 H TYR A 7 -10.973 -15.641 1.841 1.00 41.44 H new ATOM 0 HA TYR A 7 -9.295 -13.419 1.138 1.00 61.41 H new ATOM 0 HB2 TYR A 7 -10.192 -14.620 3.754 1.00 12.43 H new ATOM 0 HB3 TYR A 7 -8.856 -13.488 3.696 1.00 12.43 H new ATOM 0 HD1 TYR A 7 -12.491 -13.860 3.018 1.00 12.23 H new ATOM 0 HD2 TYR A 7 -9.219 -11.158 3.367 1.00 61.02 H new ATOM 0 HE1 TYR A 7 -14.050 -11.962 3.004 1.00 2.35 H new ATOM 0 HE2 TYR A 7 -10.773 -9.268 3.368 1.00 2.22 H new ATOM 0 HH TYR A 7 -12.866 -8.608 3.257 1.00 2.13 H new ATOM 117 N ARG A 8 -7.252 -14.383 0.948 1.00 24.32 N ATOM 118 CA ARG A 8 -5.867 -14.708 0.960 1.00 73.13 C ATOM 119 C ARG A 8 -5.083 -13.417 0.893 1.00 32.41 C ATOM 120 O ARG A 8 -3.864 -13.414 0.910 1.00 70.22 O ATOM 121 CB ARG A 8 -5.424 -15.678 -0.167 1.00 54.02 C ATOM 122 CG ARG A 8 -5.387 -15.130 -1.605 1.00 53.24 C ATOM 123 CD ARG A 8 -6.759 -14.869 -2.195 1.00 33.21 C ATOM 124 NE ARG A 8 -6.658 -14.280 -3.540 1.00 32.31 N ATOM 125 CZ ARG A 8 -7.581 -14.375 -4.508 1.00 35.53 C ATOM 126 NH1 ARG A 8 -8.644 -15.168 -4.358 1.00 41.02 N ATOM 127 NH2 ARG A 8 -7.413 -13.703 -5.648 1.00 73.40 N ATOM 0 H ARG A 8 -7.515 -13.689 0.249 1.00 24.32 H new ATOM 0 HA ARG A 8 -5.666 -15.250 1.884 1.00 73.13 H new ATOM 0 HB2 ARG A 8 -4.428 -16.045 0.078 1.00 54.02 H new ATOM 0 HB3 ARG A 8 -6.093 -16.538 -0.152 1.00 54.02 H new ATOM 0 HG2 ARG A 8 -4.814 -14.203 -1.616 1.00 53.24 H new ATOM 0 HG3 ARG A 8 -4.857 -15.839 -2.241 1.00 53.24 H new ATOM 0 HD2 ARG A 8 -7.319 -15.803 -2.245 1.00 33.21 H new ATOM 0 HD3 ARG A 8 -7.316 -14.197 -1.542 1.00 33.21 H new ATOM 0 HE ARG A 8 -5.811 -13.753 -3.755 1.00 32.31 H new ATOM 0 HH11 ARG A 8 -8.760 -15.709 -3.501 1.00 41.02 H new ATOM 0 HH12 ARG A 8 -9.340 -15.233 -5.100 1.00 41.02 H new ATOM 0 HH21 ARG A 8 -6.586 -13.121 -5.780 1.00 73.40 H new ATOM 0 HH22 ARG A 8 -8.112 -13.771 -6.388 1.00 73.40 H new ATOM 141 N CYS A 9 -5.811 -12.309 0.814 1.00 32.15 N ATOM 142 CA CYS A 9 -5.216 -10.999 0.707 1.00 20.52 C ATOM 143 C CYS A 9 -6.043 -10.014 1.525 1.00 25.34 C ATOM 144 O CYS A 9 -7.280 -10.090 1.517 1.00 44.45 O ATOM 145 CB CYS A 9 -5.249 -10.549 -0.758 1.00 63.15 C ATOM 146 SG CYS A 9 -4.632 -11.787 -1.949 1.00 10.12 S ATOM 0 H CYS A 9 -6.831 -12.303 0.823 1.00 32.15 H new ATOM 0 HA CYS A 9 -4.189 -11.032 1.070 1.00 20.52 H new ATOM 0 HB2 CYS A 9 -6.275 -10.290 -1.022 1.00 63.15 H new ATOM 0 HB3 CYS A 9 -4.655 -9.640 -0.858 1.00 63.15 H new ATOM 151 N PRO A 10 -5.394 -9.093 2.245 1.00 64.43 N ATOM 152 CA PRO A 10 -6.099 -8.040 2.966 1.00 73.10 C ATOM 153 C PRO A 10 -6.585 -6.933 2.008 1.00 3.32 C ATOM 154 O PRO A 10 -7.778 -6.644 1.922 1.00 60.44 O ATOM 155 CB PRO A 10 -5.050 -7.497 3.941 1.00 32.20 C ATOM 156 CG PRO A 10 -3.723 -7.863 3.357 1.00 52.40 C ATOM 157 CD PRO A 10 -3.940 -9.060 2.471 1.00 4.12 C ATOM 0 HA PRO A 10 -6.994 -8.407 3.468 1.00 73.10 H new ATOM 0 HB2 PRO A 10 -5.143 -6.417 4.054 1.00 32.20 H new ATOM 0 HB3 PRO A 10 -5.175 -7.933 4.932 1.00 32.20 H new ATOM 0 HG2 PRO A 10 -3.312 -7.031 2.785 1.00 52.40 H new ATOM 0 HG3 PRO A 10 -3.006 -8.093 4.145 1.00 52.40 H new ATOM 0 HD2 PRO A 10 -3.395 -8.963 1.532 1.00 4.12 H new ATOM 0 HD3 PRO A 10 -3.592 -9.976 2.949 1.00 4.12 H new ATOM 165 N CYS A 11 -5.660 -6.342 1.271 1.00 33.45 N ATOM 166 CA CYS A 11 -6.003 -5.315 0.318 1.00 25.52 C ATOM 167 C CYS A 11 -6.457 -5.924 -0.975 1.00 62.24 C ATOM 168 O CYS A 11 -5.668 -6.534 -1.698 1.00 61.43 O ATOM 169 CB CYS A 11 -4.843 -4.355 0.070 1.00 21.40 C ATOM 170 SG CYS A 11 -4.365 -3.379 1.521 1.00 40.44 S ATOM 0 H CYS A 11 -4.665 -6.561 1.319 1.00 33.45 H new ATOM 0 HA CYS A 11 -6.823 -4.739 0.747 1.00 25.52 H new ATOM 0 HB2 CYS A 11 -3.979 -4.926 -0.271 1.00 21.40 H new ATOM 0 HB3 CYS A 11 -5.114 -3.676 -0.738 1.00 21.40 H new ATOM 175 N ARG A 12 -7.734 -5.803 -1.233 1.00 63.40 N ATOM 176 CA ARG A 12 -8.317 -6.282 -2.466 1.00 23.32 C ATOM 177 C ARG A 12 -8.315 -5.138 -3.469 1.00 35.41 C ATOM 178 O ARG A 12 -8.374 -5.339 -4.678 1.00 75.15 O ATOM 179 CB ARG A 12 -9.747 -6.714 -2.199 1.00 54.14 C ATOM 180 CG ARG A 12 -10.434 -7.422 -3.351 1.00 22.15 C ATOM 181 CD ARG A 12 -11.879 -7.682 -3.006 1.00 65.41 C ATOM 182 NE ARG A 12 -12.011 -8.382 -1.728 1.00 70.21 N ATOM 183 CZ ARG A 12 -13.067 -8.291 -0.915 1.00 15.11 C ATOM 184 NH1 ARG A 12 -14.137 -7.575 -1.268 1.00 43.33 N ATOM 185 NH2 ARG A 12 -13.049 -8.912 0.252 1.00 53.12 N ATOM 0 H ARG A 12 -8.402 -5.370 -0.595 1.00 63.40 H new ATOM 0 HA ARG A 12 -7.749 -7.126 -2.857 1.00 23.32 H new ATOM 0 HB2 ARG A 12 -9.754 -7.374 -1.332 1.00 54.14 H new ATOM 0 HB3 ARG A 12 -10.332 -5.833 -1.934 1.00 54.14 H new ATOM 0 HG2 ARG A 12 -10.370 -6.813 -4.253 1.00 22.15 H new ATOM 0 HG3 ARG A 12 -9.927 -8.363 -3.565 1.00 22.15 H new ATOM 0 HD2 ARG A 12 -12.419 -6.736 -2.961 1.00 65.41 H new ATOM 0 HD3 ARG A 12 -12.341 -8.275 -3.795 1.00 65.41 H new ATOM 0 HE ARG A 12 -11.240 -8.983 -1.437 1.00 70.21 H new ATOM 0 HH11 ARG A 12 -14.153 -7.091 -2.166 1.00 43.33 H new ATOM 0 HH12 ARG A 12 -14.938 -7.512 -0.640 1.00 43.33 H new ATOM 0 HH21 ARG A 12 -12.232 -9.457 0.527 1.00 53.12 H new ATOM 0 HH22 ARG A 12 -13.852 -8.846 0.877 1.00 53.12 H new ATOM 199 N PHE A 13 -8.241 -3.937 -2.935 1.00 1.31 N ATOM 200 CA PHE A 13 -8.245 -2.734 -3.724 1.00 13.33 C ATOM 201 C PHE A 13 -6.916 -2.047 -3.569 1.00 12.30 C ATOM 202 O PHE A 13 -6.299 -2.122 -2.508 1.00 15.54 O ATOM 203 CB PHE A 13 -9.364 -1.783 -3.272 1.00 53.14 C ATOM 204 CG PHE A 13 -10.757 -2.336 -3.411 1.00 12.32 C ATOM 205 CD1 PHE A 13 -11.471 -2.158 -4.586 1.00 21.23 C ATOM 206 CD2 PHE A 13 -11.356 -3.025 -2.367 1.00 21.12 C ATOM 207 CE1 PHE A 13 -12.751 -2.655 -4.718 1.00 33.23 C ATOM 208 CE2 PHE A 13 -12.636 -3.523 -2.494 1.00 55.44 C ATOM 209 CZ PHE A 13 -13.334 -3.338 -3.671 1.00 25.42 C ATOM 0 H PHE A 13 -8.176 -3.772 -1.931 1.00 1.31 H new ATOM 0 HA PHE A 13 -8.419 -2.998 -4.767 1.00 13.33 H new ATOM 0 HB2 PHE A 13 -9.196 -1.517 -2.228 1.00 53.14 H new ATOM 0 HB3 PHE A 13 -9.295 -0.862 -3.851 1.00 53.14 H new ATOM 0 HD1 PHE A 13 -11.019 -1.623 -5.409 1.00 21.23 H new ATOM 0 HD2 PHE A 13 -10.814 -3.173 -1.445 1.00 21.12 H new ATOM 0 HE1 PHE A 13 -13.296 -2.510 -5.639 1.00 33.23 H new ATOM 0 HE2 PHE A 13 -13.092 -4.057 -1.674 1.00 55.44 H new ATOM 0 HZ PHE A 13 -14.336 -3.728 -3.772 1.00 25.42 H new ATOM 219 N PHE A 14 -6.477 -1.407 -4.609 1.00 22.35 N ATOM 220 CA PHE A 14 -5.240 -0.681 -4.629 1.00 12.45 C ATOM 221 C PHE A 14 -5.424 0.649 -5.301 1.00 13.32 C ATOM 222 O PHE A 14 -6.127 0.750 -6.308 1.00 74.52 O ATOM 223 CB PHE A 14 -4.171 -1.452 -5.388 1.00 72.22 C ATOM 224 CG PHE A 14 -3.735 -2.708 -4.732 1.00 43.42 C ATOM 225 CD1 PHE A 14 -2.978 -2.645 -3.601 1.00 54.42 C ATOM 226 CD2 PHE A 14 -4.070 -3.943 -5.245 1.00 14.40 C ATOM 227 CE1 PHE A 14 -2.546 -3.772 -2.975 1.00 24.43 C ATOM 228 CE2 PHE A 14 -3.641 -5.097 -4.622 1.00 62.11 C ATOM 229 CZ PHE A 14 -2.872 -5.009 -3.481 1.00 75.41 C ATOM 0 H PHE A 14 -6.983 -1.373 -5.494 1.00 22.35 H new ATOM 0 HA PHE A 14 -4.927 -0.540 -3.594 1.00 12.45 H new ATOM 0 HB2 PHE A 14 -4.549 -1.689 -6.382 1.00 72.22 H new ATOM 0 HB3 PHE A 14 -3.303 -0.807 -5.523 1.00 72.22 H new ATOM 0 HD1 PHE A 14 -2.716 -1.680 -3.193 1.00 54.42 H new ATOM 0 HD2 PHE A 14 -4.672 -4.008 -6.140 1.00 14.40 H new ATOM 0 HE1 PHE A 14 -1.947 -3.696 -2.080 1.00 24.43 H new ATOM 0 HE2 PHE A 14 -3.906 -6.063 -5.026 1.00 62.11 H new ATOM 0 HZ PHE A 14 -2.528 -5.906 -2.987 1.00 75.41 H new ATOM 239 N GLU A 15 -4.830 1.667 -4.750 1.00 31.12 N ATOM 240 CA GLU A 15 -4.857 2.946 -5.361 1.00 13.00 C ATOM 241 C GLU A 15 -3.471 3.267 -5.907 1.00 64.45 C ATOM 242 O GLU A 15 -2.475 3.206 -5.185 1.00 74.34 O ATOM 243 CB GLU A 15 -5.341 4.043 -4.396 1.00 0.20 C ATOM 244 CG GLU A 15 -5.514 5.388 -5.097 1.00 25.11 C ATOM 245 CD GLU A 15 -6.059 6.492 -4.229 1.00 60.34 C ATOM 246 OE1 GLU A 15 -7.271 6.501 -3.957 1.00 22.35 O ATOM 247 OE2 GLU A 15 -5.306 7.405 -3.878 1.00 43.21 O ATOM 0 H GLU A 15 -4.318 1.626 -3.869 1.00 31.12 H new ATOM 0 HA GLU A 15 -5.576 2.921 -6.180 1.00 13.00 H new ATOM 0 HB2 GLU A 15 -6.289 3.742 -3.951 1.00 0.20 H new ATOM 0 HB3 GLU A 15 -4.626 4.149 -3.580 1.00 0.20 H new ATOM 0 HG2 GLU A 15 -4.548 5.701 -5.494 1.00 25.11 H new ATOM 0 HG3 GLU A 15 -6.180 5.254 -5.949 1.00 25.11 H new ATOM 254 N SER A 16 -3.416 3.579 -7.176 1.00 42.11 N ATOM 255 CA SER A 16 -2.182 3.921 -7.848 1.00 4.31 C ATOM 256 C SER A 16 -1.965 5.427 -7.800 1.00 23.44 C ATOM 257 O SER A 16 -0.895 5.947 -8.126 1.00 64.44 O ATOM 258 CB SER A 16 -2.295 3.464 -9.290 1.00 52.14 C ATOM 259 OG SER A 16 -3.471 3.994 -9.877 1.00 70.41 O ATOM 0 H SER A 16 -4.236 3.604 -7.782 1.00 42.11 H new ATOM 0 HA SER A 16 -1.337 3.435 -7.359 1.00 4.31 H new ATOM 0 HB2 SER A 16 -1.420 3.789 -9.853 1.00 52.14 H new ATOM 0 HB3 SER A 16 -2.316 2.375 -9.334 1.00 52.14 H new ATOM 0 HG SER A 16 -3.535 3.695 -10.808 1.00 70.41 H new ATOM 265 N HIS A 17 -2.988 6.114 -7.339 1.00 12.22 N ATOM 266 CA HIS A 17 -3.029 7.574 -7.342 1.00 41.20 C ATOM 267 C HIS A 17 -2.328 8.134 -6.114 1.00 40.33 C ATOM 268 O HIS A 17 -2.376 9.330 -5.856 1.00 73.14 O ATOM 269 CB HIS A 17 -4.483 8.071 -7.331 1.00 22.53 C ATOM 270 CG HIS A 17 -5.389 7.471 -8.368 1.00 74.23 C ATOM 271 ND1 HIS A 17 -6.753 7.462 -8.238 1.00 63.24 N ATOM 272 CD2 HIS A 17 -5.126 6.850 -9.544 1.00 55.51 C ATOM 273 CE1 HIS A 17 -7.287 6.872 -9.273 1.00 64.23 C ATOM 274 NE2 HIS A 17 -6.327 6.491 -10.084 1.00 13.45 N ATOM 0 H HIS A 17 -3.824 5.679 -6.948 1.00 12.22 H new ATOM 0 HA HIS A 17 -2.523 7.915 -8.245 1.00 41.20 H new ATOM 0 HB2 HIS A 17 -4.907 7.872 -6.347 1.00 22.53 H new ATOM 0 HB3 HIS A 17 -4.478 9.153 -7.463 1.00 22.53 H new ATOM 0 HD2 HIS A 17 -4.151 6.673 -9.973 1.00 55.51 H new ATOM 0 HE1 HIS A 17 -8.344 6.722 -9.435 1.00 64.23 H new ATOM 0 HE2 HIS A 17 -6.457 6.006 -10.972 1.00 13.45 H new ATOM 283 N VAL A 18 -1.709 7.277 -5.355 1.00 43.11 N ATOM 284 CA VAL A 18 -1.030 7.676 -4.157 1.00 52.45 C ATOM 285 C VAL A 18 0.298 8.363 -4.487 1.00 3.32 C ATOM 286 O VAL A 18 1.093 7.848 -5.281 1.00 30.43 O ATOM 287 CB VAL A 18 -0.787 6.458 -3.243 1.00 60.54 C ATOM 288 CG1 VAL A 18 -0.113 6.879 -1.968 1.00 61.45 C ATOM 289 CG2 VAL A 18 -2.101 5.750 -2.939 1.00 44.22 C ATOM 0 H VAL A 18 -1.661 6.277 -5.551 1.00 43.11 H new ATOM 0 HA VAL A 18 -1.664 8.389 -3.630 1.00 52.45 H new ATOM 0 HB VAL A 18 -0.130 5.763 -3.766 1.00 60.54 H new ATOM 0 HG11 VAL A 18 0.050 6.005 -1.337 1.00 61.45 H new ATOM 0 HG12 VAL A 18 0.846 7.343 -2.199 1.00 61.45 H new ATOM 0 HG13 VAL A 18 -0.745 7.594 -1.442 1.00 61.45 H new ATOM 0 HG21 VAL A 18 -1.911 4.893 -2.293 1.00 44.22 H new ATOM 0 HG22 VAL A 18 -2.779 6.440 -2.437 1.00 44.22 H new ATOM 0 HG23 VAL A 18 -2.555 5.409 -3.870 1.00 44.22 H new ATOM 299 N ALA A 19 0.503 9.525 -3.908 1.00 74.44 N ATOM 300 CA ALA A 19 1.715 10.289 -4.090 1.00 33.04 C ATOM 301 C ALA A 19 2.517 10.231 -2.814 1.00 22.34 C ATOM 302 O ALA A 19 1.984 10.519 -1.743 1.00 33.51 O ATOM 303 CB ALA A 19 1.377 11.733 -4.414 1.00 72.44 C ATOM 0 H ALA A 19 -0.176 9.970 -3.290 1.00 74.44 H new ATOM 0 HA ALA A 19 2.292 9.871 -4.915 1.00 33.04 H new ATOM 0 HB1 ALA A 19 2.298 12.301 -4.549 1.00 72.44 H new ATOM 0 HB2 ALA A 19 0.789 11.772 -5.331 1.00 72.44 H new ATOM 0 HB3 ALA A 19 0.802 12.165 -3.595 1.00 72.44 H new ATOM 309 N ARG A 20 3.792 9.896 -2.921 1.00 2.52 N ATOM 310 CA ARG A 20 4.661 9.712 -1.753 1.00 41.44 C ATOM 311 C ARG A 20 4.741 10.973 -0.902 1.00 65.22 C ATOM 312 O ARG A 20 4.849 10.901 0.316 1.00 64.30 O ATOM 313 CB ARG A 20 6.053 9.268 -2.188 1.00 23.45 C ATOM 314 CG ARG A 20 6.992 8.913 -1.041 1.00 71.41 C ATOM 315 CD ARG A 20 8.326 8.435 -1.565 1.00 42.21 C ATOM 316 NE ARG A 20 9.017 9.462 -2.340 1.00 34.42 N ATOM 317 CZ ARG A 20 9.769 9.231 -3.425 1.00 21.12 C ATOM 318 NH1 ARG A 20 9.873 8.000 -3.927 1.00 53.14 N ATOM 319 NH2 ARG A 20 10.407 10.233 -4.011 1.00 65.13 N ATOM 0 H ARG A 20 4.260 9.742 -3.814 1.00 2.52 H new ATOM 0 HA ARG A 20 4.220 8.930 -1.135 1.00 41.44 H new ATOM 0 HB2 ARG A 20 5.956 8.402 -2.842 1.00 23.45 H new ATOM 0 HB3 ARG A 20 6.506 10.064 -2.778 1.00 23.45 H new ATOM 0 HG2 ARG A 20 7.139 9.784 -0.403 1.00 71.41 H new ATOM 0 HG3 ARG A 20 6.540 8.137 -0.423 1.00 71.41 H new ATOM 0 HD2 ARG A 20 8.954 8.130 -0.728 1.00 42.21 H new ATOM 0 HD3 ARG A 20 8.175 7.553 -2.188 1.00 42.21 H new ATOM 0 HE ARG A 20 8.920 10.429 -2.032 1.00 34.42 H new ATOM 0 HH11 ARG A 20 9.378 7.225 -3.485 1.00 53.14 H new ATOM 0 HH12 ARG A 20 10.447 7.833 -4.753 1.00 53.14 H new ATOM 0 HH21 ARG A 20 10.325 11.178 -3.636 1.00 65.13 H new ATOM 0 HH22 ARG A 20 10.980 10.059 -4.837 1.00 65.13 H new ATOM 333 N ALA A 21 4.658 12.124 -1.551 1.00 54.30 N ATOM 334 CA ALA A 21 4.707 13.414 -0.864 1.00 31.41 C ATOM 335 C ALA A 21 3.507 13.604 0.069 1.00 24.31 C ATOM 336 O ALA A 21 3.581 14.340 1.050 1.00 52.42 O ATOM 337 CB ALA A 21 4.772 14.549 -1.873 1.00 74.34 C ATOM 0 H ALA A 21 4.555 12.195 -2.563 1.00 54.30 H new ATOM 0 HA ALA A 21 5.609 13.427 -0.253 1.00 31.41 H new ATOM 0 HB1 ALA A 21 4.808 15.503 -1.346 1.00 74.34 H new ATOM 0 HB2 ALA A 21 5.666 14.440 -2.487 1.00 74.34 H new ATOM 0 HB3 ALA A 21 3.889 14.520 -2.511 1.00 74.34 H new ATOM 343 N ASN A 22 2.414 12.932 -0.227 1.00 21.44 N ATOM 344 CA ASN A 22 1.200 13.070 0.573 1.00 3.40 C ATOM 345 C ASN A 22 1.061 11.881 1.526 1.00 63.21 C ATOM 346 O ASN A 22 0.185 11.847 2.387 1.00 23.03 O ATOM 347 CB ASN A 22 -0.024 13.177 -0.346 1.00 43.43 C ATOM 348 CG ASN A 22 -1.340 13.455 0.384 1.00 42.15 C ATOM 349 OD1 ASN A 22 -2.410 12.961 -0.165 1.00 30.32 O flip ATOM 350 ND2 ASN A 22 -1.379 14.118 1.440 1.00 11.51 N flip ATOM 0 H ASN A 22 2.334 12.285 -1.012 1.00 21.44 H new ATOM 0 HA ASN A 22 1.265 13.981 1.168 1.00 3.40 H new ATOM 0 HB2 ASN A 22 0.150 13.972 -1.071 1.00 43.43 H new ATOM 0 HB3 ASN A 22 -0.123 12.248 -0.908 1.00 43.43 H new ATOM 0 HD21 ASN A 22 -0.518 14.490 1.841 1.00 11.51 H new ATOM 0 HD22 ASN A 22 -2.272 14.288 1.903 1.00 11.51 H new ATOM 357 N VAL A 23 1.936 10.914 1.372 1.00 42.43 N ATOM 358 CA VAL A 23 1.943 9.744 2.232 1.00 51.24 C ATOM 359 C VAL A 23 2.600 10.084 3.560 1.00 72.13 C ATOM 360 O VAL A 23 3.759 10.498 3.602 1.00 12.04 O ATOM 361 CB VAL A 23 2.695 8.552 1.583 1.00 0.31 C ATOM 362 CG1 VAL A 23 2.708 7.352 2.504 1.00 33.11 C ATOM 363 CG2 VAL A 23 2.057 8.176 0.275 1.00 53.52 C ATOM 0 H VAL A 23 2.660 10.912 0.653 1.00 42.43 H new ATOM 0 HA VAL A 23 0.906 9.447 2.388 1.00 51.24 H new ATOM 0 HB VAL A 23 3.723 8.866 1.404 1.00 0.31 H new ATOM 0 HG11 VAL A 23 3.241 6.531 2.025 1.00 33.11 H new ATOM 0 HG12 VAL A 23 3.208 7.614 3.436 1.00 33.11 H new ATOM 0 HG13 VAL A 23 1.684 7.045 2.716 1.00 33.11 H new ATOM 0 HG21 VAL A 23 2.597 7.338 -0.166 1.00 53.52 H new ATOM 0 HG22 VAL A 23 1.019 7.889 0.446 1.00 53.52 H new ATOM 0 HG23 VAL A 23 2.091 9.028 -0.404 1.00 53.52 H new ATOM 373 N LYS A 24 1.859 9.927 4.632 1.00 15.21 N ATOM 374 CA LYS A 24 2.376 10.184 5.951 1.00 54.12 C ATOM 375 C LYS A 24 3.198 8.988 6.364 1.00 11.53 C ATOM 376 O LYS A 24 4.355 9.102 6.766 1.00 2.11 O ATOM 377 CB LYS A 24 1.216 10.374 6.920 1.00 31.13 C ATOM 378 CG LYS A 24 1.578 10.834 8.244 1.00 14.02 C ATOM 379 CD LYS A 24 0.330 11.158 9.005 1.00 24.31 C ATOM 380 CE LYS A 24 0.707 11.737 10.280 1.00 12.34 C ATOM 381 NZ LYS A 24 -0.450 12.010 11.163 1.00 75.32 N ATOM 0 H LYS A 24 0.887 9.619 4.613 1.00 15.21 H new ATOM 0 HA LYS A 24 2.989 11.085 5.958 1.00 54.12 H new ATOM 0 HB2 LYS A 24 0.516 11.087 6.485 1.00 31.13 H new ATOM 0 HB3 LYS A 24 0.687 9.426 7.016 1.00 31.13 H new ATOM 0 HG2 LYS A 24 2.149 10.066 8.766 1.00 14.02 H new ATOM 0 HG3 LYS A 24 2.216 11.715 8.175 1.00 14.02 H new ATOM 0 HD2 LYS A 24 -0.288 11.856 8.440 1.00 24.31 H new ATOM 0 HD3 LYS A 24 -0.265 10.258 9.159 1.00 24.31 H new ATOM 0 HE2 LYS A 24 1.393 11.061 10.790 1.00 12.34 H new ATOM 0 HE3 LYS A 24 1.248 12.667 10.104 1.00 12.34 H new ATOM 0 HZ1 LYS A 24 -0.115 12.422 12.057 1.00 75.32 H new ATOM 0 HZ2 LYS A 24 -1.095 12.678 10.694 1.00 75.32 H new ATOM 0 HZ3 LYS A 24 -0.954 11.122 11.359 1.00 75.32 H new ATOM 395 N ARG A 25 2.593 7.849 6.233 1.00 31.21 N ATOM 396 CA ARG A 25 3.225 6.591 6.542 1.00 73.45 C ATOM 397 C ARG A 25 2.718 5.539 5.581 1.00 11.03 C ATOM 398 O ARG A 25 1.533 5.571 5.197 1.00 0.53 O ATOM 399 CB ARG A 25 2.876 6.155 7.971 1.00 31.11 C ATOM 400 CG ARG A 25 3.531 4.846 8.402 1.00 70.02 C ATOM 401 CD ARG A 25 3.019 4.376 9.750 1.00 45.34 C ATOM 402 NE ARG A 25 3.252 5.349 10.819 1.00 14.30 N ATOM 403 CZ ARG A 25 2.861 5.187 12.084 1.00 73.44 C ATOM 404 NH1 ARG A 25 2.275 4.060 12.462 1.00 15.13 N ATOM 405 NH2 ARG A 25 3.080 6.139 12.972 1.00 1.12 N ATOM 0 H ARG A 25 1.632 7.759 5.904 1.00 31.21 H new ATOM 0 HA ARG A 25 4.305 6.706 6.454 1.00 73.45 H new ATOM 0 HB2 ARG A 25 3.175 6.943 8.663 1.00 31.11 H new ATOM 0 HB3 ARG A 25 1.794 6.052 8.054 1.00 31.11 H new ATOM 0 HG2 ARG A 25 3.337 4.079 7.652 1.00 70.02 H new ATOM 0 HG3 ARG A 25 4.612 4.979 8.450 1.00 70.02 H new ATOM 0 HD2 ARG A 25 1.951 4.173 9.677 1.00 45.34 H new ATOM 0 HD3 ARG A 25 3.505 3.435 10.010 1.00 45.34 H new ATOM 0 HE ARG A 25 3.747 6.209 10.580 1.00 14.30 H new ATOM 0 HH11 ARG A 25 2.122 3.313 11.785 1.00 15.13 H new ATOM 0 HH12 ARG A 25 1.977 3.940 13.430 1.00 15.13 H new ATOM 0 HH21 ARG A 25 3.549 7.000 12.691 1.00 1.12 H new ATOM 0 HH22 ARG A 25 2.780 6.013 13.939 1.00 1.12 H new ATOM 419 N LEU A 26 3.595 4.645 5.167 1.00 52.34 N ATOM 420 CA LEU A 26 3.190 3.526 4.374 1.00 71.43 C ATOM 421 C LEU A 26 3.921 2.305 4.848 1.00 11.14 C ATOM 422 O LEU A 26 4.954 2.415 5.511 1.00 32.42 O ATOM 423 CB LEU A 26 3.432 3.682 2.856 1.00 52.21 C ATOM 424 CG LEU A 26 4.875 3.600 2.329 1.00 72.33 C ATOM 425 CD1 LEU A 26 4.829 3.316 0.858 1.00 62.02 C ATOM 426 CD2 LEU A 26 5.652 4.885 2.549 1.00 50.42 C ATOM 0 H LEU A 26 4.593 4.682 5.373 1.00 52.34 H new ATOM 0 HA LEU A 26 2.111 3.445 4.504 1.00 71.43 H new ATOM 0 HB2 LEU A 26 2.849 2.914 2.347 1.00 52.21 H new ATOM 0 HB3 LEU A 26 3.023 4.646 2.553 1.00 52.21 H new ATOM 0 HG LEU A 26 5.384 2.808 2.879 1.00 72.33 H new ATOM 0 HD11 LEU A 26 5.845 3.255 0.467 1.00 62.02 H new ATOM 0 HD12 LEU A 26 4.316 2.370 0.686 1.00 62.02 H new ATOM 0 HD13 LEU A 26 4.293 4.117 0.349 1.00 62.02 H new ATOM 0 HD21 LEU A 26 6.663 4.770 2.158 1.00 50.42 H new ATOM 0 HD22 LEU A 26 5.154 5.705 2.031 1.00 50.42 H new ATOM 0 HD23 LEU A 26 5.698 5.104 3.616 1.00 50.42 H new ATOM 438 N LYS A 27 3.401 1.165 4.520 1.00 3.32 N ATOM 439 CA LYS A 27 4.025 -0.083 4.844 1.00 2.13 C ATOM 440 C LYS A 27 3.656 -1.082 3.786 1.00 21.11 C ATOM 441 O LYS A 27 2.504 -1.129 3.351 1.00 23.50 O ATOM 442 CB LYS A 27 3.562 -0.586 6.221 1.00 72.14 C ATOM 443 CG LYS A 27 4.205 -1.882 6.694 1.00 63.35 C ATOM 444 CD LYS A 27 5.680 -1.686 6.951 1.00 31.21 C ATOM 445 CE LYS A 27 5.965 -0.841 8.197 1.00 52.12 C ATOM 446 NZ LYS A 27 5.502 -1.488 9.444 1.00 20.32 N ATOM 0 H LYS A 27 2.521 1.071 4.014 1.00 3.32 H new ATOM 0 HA LYS A 27 5.106 0.051 4.883 1.00 2.13 H new ATOM 0 HB2 LYS A 27 3.764 0.190 6.959 1.00 72.14 H new ATOM 0 HB3 LYS A 27 2.481 -0.726 6.193 1.00 72.14 H new ATOM 0 HG2 LYS A 27 3.715 -2.225 7.605 1.00 63.35 H new ATOM 0 HG3 LYS A 27 4.062 -2.659 5.943 1.00 63.35 H new ATOM 0 HD2 LYS A 27 6.156 -2.660 7.063 1.00 31.21 H new ATOM 0 HD3 LYS A 27 6.134 -1.208 6.083 1.00 31.21 H new ATOM 0 HE2 LYS A 27 7.036 -0.653 8.266 1.00 52.12 H new ATOM 0 HE3 LYS A 27 5.478 0.128 8.093 1.00 52.12 H new ATOM 0 HZ1 LYS A 27 5.894 -0.982 10.264 1.00 20.32 H new ATOM 0 HZ2 LYS A 27 4.463 -1.461 9.484 1.00 20.32 H new ATOM 0 HZ3 LYS A 27 5.823 -2.477 9.462 1.00 20.32 H new ATOM 460 N ILE A 28 4.616 -1.841 3.352 1.00 1.12 N ATOM 461 CA ILE A 28 4.378 -2.888 2.391 1.00 64.14 C ATOM 462 C ILE A 28 4.382 -4.199 3.129 1.00 42.42 C ATOM 463 O ILE A 28 5.401 -4.593 3.706 1.00 42.10 O ATOM 464 CB ILE A 28 5.463 -2.956 1.269 1.00 40.42 C ATOM 465 CG1 ILE A 28 5.556 -1.644 0.498 1.00 72.53 C ATOM 466 CG2 ILE A 28 5.185 -4.109 0.307 1.00 15.10 C ATOM 467 CD1 ILE A 28 6.528 -1.690 -0.665 1.00 25.22 C ATOM 0 H ILE A 28 5.588 -1.756 3.651 1.00 1.12 H new ATOM 0 HA ILE A 28 3.425 -2.680 1.905 1.00 64.14 H new ATOM 0 HB ILE A 28 6.421 -3.131 1.759 1.00 40.42 H new ATOM 0 HG12 ILE A 28 4.567 -1.382 0.123 1.00 72.53 H new ATOM 0 HG13 ILE A 28 5.858 -0.851 1.182 1.00 72.53 H new ATOM 0 HG21 ILE A 28 5.955 -4.133 -0.464 1.00 15.10 H new ATOM 0 HG22 ILE A 28 5.191 -5.051 0.856 1.00 15.10 H new ATOM 0 HG23 ILE A 28 4.210 -3.967 -0.159 1.00 15.10 H new ATOM 0 HD11 ILE A 28 6.541 -0.722 -1.166 1.00 25.22 H new ATOM 0 HD12 ILE A 28 7.527 -1.921 -0.295 1.00 25.22 H new ATOM 0 HD13 ILE A 28 6.215 -2.460 -1.370 1.00 25.22 H new ATOM 479 N LEU A 29 3.271 -4.848 3.157 1.00 21.35 N ATOM 480 CA LEU A 29 3.182 -6.126 3.774 1.00 2.55 C ATOM 481 C LEU A 29 3.311 -7.165 2.685 1.00 24.41 C ATOM 482 O LEU A 29 2.407 -7.325 1.842 1.00 4.23 O ATOM 483 CB LEU A 29 1.848 -6.275 4.520 1.00 1.22 C ATOM 484 CG LEU A 29 1.652 -7.580 5.296 1.00 22.43 C ATOM 485 CD1 LEU A 29 2.692 -7.718 6.394 1.00 35.13 C ATOM 486 CD2 LEU A 29 0.252 -7.650 5.878 1.00 52.15 C ATOM 0 H LEU A 29 2.398 -4.509 2.753 1.00 21.35 H new ATOM 0 HA LEU A 29 3.976 -6.251 4.511 1.00 2.55 H new ATOM 0 HB2 LEU A 29 1.750 -5.443 5.218 1.00 1.22 H new ATOM 0 HB3 LEU A 29 1.038 -6.181 3.797 1.00 1.22 H new ATOM 0 HG LEU A 29 1.779 -8.410 4.601 1.00 22.43 H new ATOM 0 HD11 LEU A 29 2.532 -8.653 6.931 1.00 35.13 H new ATOM 0 HD12 LEU A 29 3.689 -7.719 5.953 1.00 35.13 H new ATOM 0 HD13 LEU A 29 2.603 -6.881 7.087 1.00 35.13 H new ATOM 0 HD21 LEU A 29 0.132 -8.585 6.426 1.00 52.15 H new ATOM 0 HD22 LEU A 29 0.097 -6.810 6.555 1.00 52.15 H new ATOM 0 HD23 LEU A 29 -0.480 -7.606 5.072 1.00 52.15 H new ATOM 498 N ASN A 30 4.431 -7.843 2.675 1.00 71.21 N ATOM 499 CA ASN A 30 4.706 -8.835 1.662 1.00 53.40 C ATOM 500 C ASN A 30 4.182 -10.151 2.134 1.00 1.44 C ATOM 501 O ASN A 30 4.841 -10.832 2.931 1.00 72.44 O ATOM 502 CB ASN A 30 6.231 -8.984 1.378 1.00 64.23 C ATOM 503 CG ASN A 30 6.950 -7.698 0.970 1.00 31.51 C ATOM 504 OD1 ASN A 30 6.618 -6.612 1.421 1.00 73.32 O ATOM 505 ND2 ASN A 30 7.931 -7.816 0.100 1.00 60.14 N ATOM 0 H ASN A 30 5.175 -7.725 3.363 1.00 71.21 H new ATOM 0 HA ASN A 30 4.223 -8.514 0.739 1.00 53.40 H new ATOM 0 HB2 ASN A 30 6.713 -9.382 2.271 1.00 64.23 H new ATOM 0 HB3 ASN A 30 6.366 -9.722 0.587 1.00 64.23 H new ATOM 0 HD21 ASN A 30 8.436 -6.988 -0.215 1.00 60.14 H new ATOM 0 HD22 ASN A 30 8.186 -8.736 -0.259 1.00 60.14 H new ATOM 512 N THR A 31 3.005 -10.512 1.713 1.00 71.23 N ATOM 513 CA THR A 31 2.460 -11.740 2.141 1.00 61.35 C ATOM 514 C THR A 31 2.831 -12.828 1.146 1.00 54.42 C ATOM 515 O THR A 31 2.572 -12.695 -0.048 1.00 50.44 O ATOM 516 CB THR A 31 0.926 -11.653 2.329 1.00 75.23 C ATOM 517 OG1 THR A 31 0.295 -11.233 1.113 1.00 53.40 O ATOM 518 CG2 THR A 31 0.565 -10.665 3.428 1.00 70.21 C ATOM 0 H THR A 31 2.418 -9.970 1.079 1.00 71.23 H new ATOM 0 HA THR A 31 2.880 -11.986 3.116 1.00 61.35 H new ATOM 0 HB THR A 31 0.575 -12.647 2.607 1.00 75.23 H new ATOM 0 HG1 THR A 31 0.140 -10.266 1.142 1.00 53.40 H new ATOM 0 HG21 THR A 31 -0.519 -10.624 3.539 1.00 70.21 H new ATOM 0 HG22 THR A 31 1.014 -10.986 4.368 1.00 70.21 H new ATOM 0 HG23 THR A 31 0.941 -9.676 3.166 1.00 70.21 H new ATOM 526 N PRO A 32 3.474 -13.908 1.610 1.00 52.21 N ATOM 527 CA PRO A 32 3.860 -15.026 0.732 1.00 5.44 C ATOM 528 C PRO A 32 2.616 -15.732 0.207 1.00 74.53 C ATOM 529 O PRO A 32 2.613 -16.338 -0.862 1.00 33.11 O ATOM 530 CB PRO A 32 4.654 -15.948 1.665 1.00 3.52 C ATOM 531 CG PRO A 32 4.193 -15.597 3.042 1.00 21.55 C ATOM 532 CD PRO A 32 3.883 -14.134 3.012 1.00 14.01 C ATOM 0 HA PRO A 32 4.431 -14.715 -0.143 1.00 5.44 H new ATOM 0 HB2 PRO A 32 4.462 -16.997 1.440 1.00 3.52 H new ATOM 0 HB3 PRO A 32 5.727 -15.790 1.556 1.00 3.52 H new ATOM 0 HG2 PRO A 32 3.312 -16.177 3.318 1.00 21.55 H new ATOM 0 HG3 PRO A 32 4.964 -15.817 3.780 1.00 21.55 H new ATOM 0 HD2 PRO A 32 3.087 -13.876 3.711 1.00 14.01 H new ATOM 0 HD3 PRO A 32 4.751 -13.532 3.281 1.00 14.01 H new ATOM 540 N ASN A 33 1.563 -15.604 0.971 1.00 44.25 N ATOM 541 CA ASN A 33 0.272 -16.162 0.671 1.00 50.20 C ATOM 542 C ASN A 33 -0.456 -15.356 -0.409 1.00 51.24 C ATOM 543 O ASN A 33 -1.247 -15.910 -1.166 1.00 41.23 O ATOM 544 CB ASN A 33 -0.558 -16.231 1.953 1.00 43.21 C ATOM 545 CG ASN A 33 -0.660 -14.879 2.630 1.00 11.30 C ATOM 546 OD1 ASN A 33 0.192 -14.513 3.444 1.00 35.10 O ATOM 547 ND2 ASN A 33 -1.667 -14.134 2.318 1.00 4.34 N ATOM 0 H ASN A 33 1.583 -15.089 1.851 1.00 44.25 H new ATOM 0 HA ASN A 33 0.411 -17.168 0.275 1.00 50.20 H new ATOM 0 HB2 ASN A 33 -1.558 -16.597 1.720 1.00 43.21 H new ATOM 0 HB3 ASN A 33 -0.108 -16.948 2.639 1.00 43.21 H new ATOM 0 HD21 ASN A 33 -1.774 -13.215 2.748 1.00 4.34 H new ATOM 0 HD22 ASN A 33 -2.355 -14.464 1.641 1.00 4.34 H new ATOM 554 N CYS A 34 -0.211 -14.048 -0.472 1.00 64.45 N ATOM 555 CA CYS A 34 -0.831 -13.254 -1.514 1.00 74.40 C ATOM 556 C CYS A 34 0.203 -12.598 -2.416 1.00 64.33 C ATOM 557 O CYS A 34 0.590 -13.164 -3.448 1.00 45.53 O ATOM 558 CB CYS A 34 -1.763 -12.166 -0.962 1.00 64.21 C ATOM 559 SG CYS A 34 -2.704 -11.287 -2.267 1.00 61.33 S ATOM 0 H CYS A 34 0.394 -13.534 0.168 1.00 64.45 H new ATOM 0 HA CYS A 34 -1.427 -13.960 -2.092 1.00 74.40 H new ATOM 0 HB2 CYS A 34 -2.464 -12.619 -0.261 1.00 64.21 H new ATOM 0 HB3 CYS A 34 -1.173 -11.443 -0.400 1.00 64.21 H new ATOM 564 N ALA A 35 0.697 -11.446 -1.979 1.00 51.34 N ATOM 565 CA ALA A 35 1.535 -10.575 -2.772 1.00 41.05 C ATOM 566 C ALA A 35 1.856 -9.358 -1.918 1.00 72.34 C ATOM 567 O ALA A 35 1.857 -9.448 -0.677 1.00 53.13 O ATOM 568 CB ALA A 35 0.758 -10.139 -4.022 1.00 61.54 C ATOM 0 H ALA A 35 0.518 -11.089 -1.040 1.00 51.34 H new ATOM 0 HA ALA A 35 2.451 -11.079 -3.081 1.00 41.05 H new ATOM 0 HB1 ALA A 35 1.382 -9.481 -4.627 1.00 61.54 H new ATOM 0 HB2 ALA A 35 0.485 -11.018 -4.606 1.00 61.54 H new ATOM 0 HB3 ALA A 35 -0.145 -9.608 -3.722 1.00 61.54 H new ATOM 574 N LEU A 36 2.125 -8.243 -2.555 1.00 62.04 N ATOM 575 CA LEU A 36 2.426 -7.016 -1.853 1.00 0.12 C ATOM 576 C LEU A 36 1.163 -6.232 -1.561 1.00 50.52 C ATOM 577 O LEU A 36 0.446 -5.835 -2.480 1.00 11.11 O ATOM 578 CB LEU A 36 3.323 -6.116 -2.690 1.00 14.11 C ATOM 579 CG LEU A 36 4.664 -6.656 -3.128 1.00 1.32 C ATOM 580 CD1 LEU A 36 5.428 -5.576 -3.867 1.00 54.13 C ATOM 581 CD2 LEU A 36 5.446 -7.138 -1.947 1.00 1.30 C ATOM 0 H LEU A 36 2.142 -8.160 -3.571 1.00 62.04 H new ATOM 0 HA LEU A 36 2.923 -7.302 -0.926 1.00 0.12 H new ATOM 0 HB2 LEU A 36 2.769 -5.833 -3.585 1.00 14.11 H new ATOM 0 HB3 LEU A 36 3.501 -5.202 -2.123 1.00 14.11 H new ATOM 0 HG LEU A 36 4.507 -7.502 -3.797 1.00 1.32 H new ATOM 0 HD11 LEU A 36 6.396 -5.966 -4.183 1.00 54.13 H new ATOM 0 HD12 LEU A 36 4.860 -5.263 -4.743 1.00 54.13 H new ATOM 0 HD13 LEU A 36 5.579 -4.721 -3.208 1.00 54.13 H new ATOM 0 HD21 LEU A 36 6.409 -7.524 -2.281 1.00 1.30 H new ATOM 0 HD22 LEU A 36 5.606 -6.311 -1.255 1.00 1.30 H new ATOM 0 HD23 LEU A 36 4.893 -7.931 -1.443 1.00 1.30 H new ATOM 593 N GLN A 37 0.879 -6.016 -0.305 1.00 72.43 N ATOM 594 CA GLN A 37 -0.191 -5.125 0.057 1.00 44.31 C ATOM 595 C GLN A 37 0.407 -3.960 0.761 1.00 24.33 C ATOM 596 O GLN A 37 1.136 -4.123 1.724 1.00 55.31 O ATOM 597 CB GLN A 37 -1.281 -5.787 0.926 1.00 50.21 C ATOM 598 CG GLN A 37 -2.135 -6.829 0.206 1.00 31.44 C ATOM 599 CD GLN A 37 -1.399 -8.086 -0.187 1.00 42.54 C ATOM 600 OE1 GLN A 37 -0.450 -8.510 0.614 1.00 1.24 O flip ATOM 601 NE2 GLN A 37 -1.722 -8.693 -1.176 1.00 34.41 N flip ATOM 0 H GLN A 37 1.370 -6.442 0.481 1.00 72.43 H new ATOM 0 HA GLN A 37 -0.702 -4.817 -0.855 1.00 44.31 H new ATOM 0 HB2 GLN A 37 -0.803 -6.260 1.784 1.00 50.21 H new ATOM 0 HB3 GLN A 37 -1.936 -5.008 1.316 1.00 50.21 H new ATOM 0 HG2 GLN A 37 -2.972 -7.101 0.850 1.00 31.44 H new ATOM 0 HG3 GLN A 37 -2.557 -6.376 -0.691 1.00 31.44 H new ATOM 0 HE21 GLN A 37 -2.464 -8.333 -1.776 1.00 34.41 H new ATOM 0 HE22 GLN A 37 -1.253 -9.567 -1.414 1.00 34.41 H new ATOM 610 N ILE A 38 0.111 -2.803 0.293 1.00 51.55 N ATOM 611 CA ILE A 38 0.706 -1.608 0.822 1.00 24.04 C ATOM 612 C ILE A 38 -0.386 -0.698 1.331 1.00 42.34 C ATOM 613 O ILE A 38 -1.505 -0.774 0.862 1.00 44.32 O ATOM 614 CB ILE A 38 1.463 -0.893 -0.301 1.00 33.31 C ATOM 615 CG1 ILE A 38 2.293 -1.910 -1.072 1.00 33.13 C ATOM 616 CG2 ILE A 38 2.373 0.192 0.277 1.00 1.24 C ATOM 617 CD1 ILE A 38 3.002 -1.341 -2.243 1.00 44.22 C ATOM 0 H ILE A 38 -0.550 -2.646 -0.468 1.00 51.55 H new ATOM 0 HA ILE A 38 1.389 -1.860 1.633 1.00 24.04 H new ATOM 0 HB ILE A 38 0.746 -0.421 -0.972 1.00 33.31 H new ATOM 0 HG12 ILE A 38 3.025 -2.354 -0.397 1.00 33.13 H new ATOM 0 HG13 ILE A 38 1.641 -2.715 -1.410 1.00 33.13 H new ATOM 0 HG21 ILE A 38 2.904 0.691 -0.533 1.00 1.24 H new ATOM 0 HG22 ILE A 38 1.771 0.921 0.819 1.00 1.24 H new ATOM 0 HG23 ILE A 38 3.093 -0.262 0.958 1.00 1.24 H new ATOM 0 HD11 ILE A 38 3.571 -2.126 -2.740 1.00 44.22 H new ATOM 0 HD12 ILE A 38 2.276 -0.922 -2.940 1.00 44.22 H new ATOM 0 HD13 ILE A 38 3.681 -0.556 -1.911 1.00 44.22 H new ATOM 629 N VAL A 39 -0.076 0.140 2.285 1.00 73.13 N ATOM 630 CA VAL A 39 -1.056 1.058 2.846 1.00 4.25 C ATOM 631 C VAL A 39 -0.512 2.480 2.854 1.00 1.14 C ATOM 632 O VAL A 39 0.643 2.677 3.153 1.00 53.22 O ATOM 633 CB VAL A 39 -1.506 0.636 4.279 1.00 3.23 C ATOM 634 CG1 VAL A 39 -2.203 -0.720 4.251 1.00 44.01 C ATOM 635 CG2 VAL A 39 -0.322 0.598 5.241 1.00 64.13 C ATOM 0 H VAL A 39 0.854 0.212 2.699 1.00 73.13 H new ATOM 0 HA VAL A 39 -1.938 1.019 2.207 1.00 4.25 H new ATOM 0 HB VAL A 39 -2.213 1.385 4.636 1.00 3.23 H new ATOM 0 HG11 VAL A 39 -2.508 -0.993 5.261 1.00 44.01 H new ATOM 0 HG12 VAL A 39 -3.082 -0.664 3.609 1.00 44.01 H new ATOM 0 HG13 VAL A 39 -1.518 -1.473 3.862 1.00 44.01 H new ATOM 0 HG21 VAL A 39 -0.667 0.301 6.231 1.00 64.13 H new ATOM 0 HG22 VAL A 39 0.415 -0.121 4.883 1.00 64.13 H new ATOM 0 HG23 VAL A 39 0.133 1.587 5.297 1.00 64.13 H new ATOM 645 N ALA A 40 -1.329 3.441 2.488 1.00 1.31 N ATOM 646 CA ALA A 40 -0.936 4.846 2.497 1.00 24.01 C ATOM 647 C ALA A 40 -1.874 5.632 3.323 1.00 72.23 C ATOM 648 O ALA A 40 -3.064 5.667 3.032 1.00 72.54 O ATOM 649 CB ALA A 40 -0.977 5.440 1.103 1.00 34.40 C ATOM 0 H ALA A 40 -2.286 3.279 2.175 1.00 1.31 H new ATOM 0 HA ALA A 40 0.078 4.888 2.896 1.00 24.01 H new ATOM 0 HB1 ALA A 40 -0.679 6.488 1.145 1.00 34.40 H new ATOM 0 HB2 ALA A 40 -0.292 4.894 0.454 1.00 34.40 H new ATOM 0 HB3 ALA A 40 -1.989 5.367 0.706 1.00 34.40 H new ATOM 655 N ARG A 41 -1.382 6.253 4.338 1.00 70.53 N ATOM 656 CA ARG A 41 -2.193 7.161 5.075 1.00 3.14 C ATOM 657 C ARG A 41 -1.821 8.541 4.697 1.00 33.14 C ATOM 658 O ARG A 41 -0.659 8.930 4.798 1.00 13.11 O ATOM 659 CB ARG A 41 -2.121 6.925 6.561 1.00 51.15 C ATOM 660 CG ARG A 41 -2.894 7.916 7.390 1.00 72.33 C ATOM 661 CD ARG A 41 -3.149 7.349 8.769 1.00 23.33 C ATOM 662 NE ARG A 41 -1.928 6.891 9.438 1.00 2.03 N ATOM 663 CZ ARG A 41 -1.856 5.781 10.185 1.00 4.41 C ATOM 664 NH1 ARG A 41 -2.948 5.039 10.399 1.00 64.44 N ATOM 665 NH2 ARG A 41 -0.698 5.419 10.725 1.00 4.43 N ATOM 0 H ARG A 41 -0.425 6.150 4.677 1.00 70.53 H new ATOM 0 HA ARG A 41 -3.239 6.994 4.819 1.00 3.14 H new ATOM 0 HB2 ARG A 41 -2.493 5.923 6.775 1.00 51.15 H new ATOM 0 HB3 ARG A 41 -1.076 6.950 6.870 1.00 51.15 H new ATOM 0 HG2 ARG A 41 -2.337 8.850 7.469 1.00 72.33 H new ATOM 0 HG3 ARG A 41 -3.841 8.150 6.903 1.00 72.33 H new ATOM 0 HD2 ARG A 41 -3.630 8.109 9.385 1.00 23.33 H new ATOM 0 HD3 ARG A 41 -3.847 6.515 8.689 1.00 23.33 H new ATOM 0 HE ARG A 41 -1.082 7.451 9.328 1.00 2.03 H new ATOM 0 HH11 ARG A 41 -3.841 5.317 9.993 1.00 64.44 H new ATOM 0 HH12 ARG A 41 -2.887 4.195 10.968 1.00 64.44 H new ATOM 0 HH21 ARG A 41 0.136 5.986 10.571 1.00 4.43 H new ATOM 0 HH22 ARG A 41 -0.642 4.574 11.294 1.00 4.43 H new ATOM 679 N LEU A 42 -2.788 9.265 4.235 1.00 61.00 N ATOM 680 CA LEU A 42 -2.558 10.603 3.717 1.00 10.12 C ATOM 681 C LEU A 42 -2.251 11.579 4.836 1.00 54.12 C ATOM 682 O LEU A 42 -2.842 11.498 5.905 1.00 50.22 O ATOM 683 CB LEU A 42 -3.761 11.099 2.892 1.00 44.51 C ATOM 684 CG LEU A 42 -4.229 10.198 1.719 1.00 24.04 C ATOM 685 CD1 LEU A 42 -5.094 10.944 0.714 1.00 71.13 C ATOM 686 CD2 LEU A 42 -3.093 9.444 1.037 1.00 10.02 C ATOM 0 H LEU A 42 -3.761 8.961 4.200 1.00 61.00 H new ATOM 0 HA LEU A 42 -1.691 10.550 3.059 1.00 10.12 H new ATOM 0 HB2 LEU A 42 -4.603 11.237 3.570 1.00 44.51 H new ATOM 0 HB3 LEU A 42 -3.513 12.080 2.488 1.00 44.51 H new ATOM 0 HG LEU A 42 -4.859 9.439 2.182 1.00 24.04 H new ATOM 0 HD11 LEU A 42 -5.392 10.265 -0.084 1.00 71.13 H new ATOM 0 HD12 LEU A 42 -5.983 11.329 1.214 1.00 71.13 H new ATOM 0 HD13 LEU A 42 -4.527 11.774 0.291 1.00 71.13 H new ATOM 0 HD21 LEU A 42 -3.495 8.835 0.227 1.00 10.02 H new ATOM 0 HD22 LEU A 42 -2.374 10.157 0.633 1.00 10.02 H new ATOM 0 HD23 LEU A 42 -2.596 8.800 1.763 1.00 10.02 H new ATOM 698 N LYS A 43 -1.318 12.482 4.596 1.00 14.23 N ATOM 699 CA LYS A 43 -0.957 13.496 5.582 1.00 34.50 C ATOM 700 C LYS A 43 -2.114 14.470 5.762 1.00 70.14 C ATOM 701 O LYS A 43 -2.458 14.855 6.882 1.00 65.25 O ATOM 702 CB LYS A 43 0.260 14.299 5.104 1.00 40.32 C ATOM 703 CG LYS A 43 1.500 13.520 4.871 1.00 2.13 C ATOM 704 CD LYS A 43 2.551 14.426 4.283 1.00 23.45 C ATOM 705 CE LYS A 43 3.875 13.764 4.281 1.00 5.55 C ATOM 706 NZ LYS A 43 4.922 14.602 3.647 1.00 33.25 N ATOM 0 H LYS A 43 -0.792 12.538 3.724 1.00 14.23 H new ATOM 0 HA LYS A 43 -0.726 12.991 6.520 1.00 34.50 H new ATOM 0 HB2 LYS A 43 -0.006 14.807 4.177 1.00 40.32 H new ATOM 0 HB3 LYS A 43 0.473 15.072 5.842 1.00 40.32 H new ATOM 0 HG2 LYS A 43 1.856 13.091 5.808 1.00 2.13 H new ATOM 0 HG3 LYS A 43 1.300 12.689 4.195 1.00 2.13 H new ATOM 0 HD2 LYS A 43 2.274 14.698 3.265 1.00 23.45 H new ATOM 0 HD3 LYS A 43 2.603 15.351 4.857 1.00 23.45 H new ATOM 0 HE2 LYS A 43 4.166 13.536 5.306 1.00 5.55 H new ATOM 0 HE3 LYS A 43 3.803 12.814 3.752 1.00 5.55 H new ATOM 0 HZ1 LYS A 43 5.851 14.152 3.774 1.00 33.25 H new ATOM 0 HZ2 LYS A 43 4.720 14.700 2.631 1.00 33.25 H new ATOM 0 HZ3 LYS A 43 4.930 15.543 4.091 1.00 33.25 H new ATOM 720 N ASN A 44 -2.725 14.824 4.648 1.00 31.02 N ATOM 721 CA ASN A 44 -3.808 15.793 4.633 1.00 2.44 C ATOM 722 C ASN A 44 -5.155 15.128 4.840 1.00 11.24 C ATOM 723 O ASN A 44 -5.950 15.577 5.663 1.00 23.55 O ATOM 724 CB ASN A 44 -3.793 16.582 3.316 1.00 21.13 C ATOM 725 CG ASN A 44 -4.921 17.604 3.191 1.00 41.41 C ATOM 726 OD1 ASN A 44 -5.387 18.171 4.182 1.00 4.23 O ATOM 727 ND2 ASN A 44 -5.361 17.847 1.981 1.00 13.42 N ATOM 0 H ASN A 44 -2.487 14.450 3.729 1.00 31.02 H new ATOM 0 HA ASN A 44 -3.652 16.483 5.462 1.00 2.44 H new ATOM 0 HB2 ASN A 44 -2.837 17.098 3.224 1.00 21.13 H new ATOM 0 HB3 ASN A 44 -3.858 15.881 2.484 1.00 21.13 H new ATOM 0 HD21 ASN A 44 -6.111 18.523 1.837 1.00 13.42 H new ATOM 0 HD22 ASN A 44 -4.953 17.360 1.183 1.00 13.42 H new ATOM 734 N ASN A 45 -5.422 14.061 4.104 1.00 43.12 N ATOM 735 CA ASN A 45 -6.710 13.389 4.223 1.00 42.52 C ATOM 736 C ASN A 45 -6.794 12.581 5.501 1.00 74.32 C ATOM 737 O ASN A 45 -7.880 12.355 6.030 1.00 23.33 O ATOM 738 CB ASN A 45 -7.023 12.527 2.996 1.00 62.24 C ATOM 739 CG ASN A 45 -8.446 11.979 2.972 1.00 64.15 C ATOM 740 OD1 ASN A 45 -8.639 10.872 2.290 1.00 71.33 O flip ATOM 741 ND2 ASN A 45 -9.365 12.571 3.531 1.00 40.05 N flip ATOM 0 H ASN A 45 -4.779 13.646 3.429 1.00 43.12 H new ATOM 0 HA ASN A 45 -7.473 14.166 4.270 1.00 42.52 H new ATOM 0 HB2 ASN A 45 -6.857 13.119 2.096 1.00 62.24 H new ATOM 0 HB3 ASN A 45 -6.322 11.693 2.962 1.00 62.24 H new ATOM 0 HD21 ASN A 45 -9.178 13.428 4.052 1.00 40.05 H new ATOM 0 HD22 ASN A 45 -10.316 12.206 3.475 1.00 40.05 H new ATOM 748 N ASN A 46 -5.622 12.147 6.003 1.00 11.30 N ATOM 749 CA ASN A 46 -5.508 11.346 7.253 1.00 61.44 C ATOM 750 C ASN A 46 -6.126 9.954 7.070 1.00 11.24 C ATOM 751 O ASN A 46 -6.180 9.138 7.991 1.00 33.53 O ATOM 752 CB ASN A 46 -6.107 12.137 8.459 1.00 33.01 C ATOM 753 CG ASN A 46 -6.085 11.408 9.799 1.00 63.24 C ATOM 754 OD1 ASN A 46 -7.035 10.730 10.163 1.00 51.11 O ATOM 755 ND2 ASN A 46 -5.012 11.547 10.536 1.00 21.24 N ATOM 0 H ASN A 46 -4.724 12.338 5.559 1.00 11.30 H new ATOM 0 HA ASN A 46 -4.455 11.179 7.481 1.00 61.44 H new ATOM 0 HB2 ASN A 46 -5.559 13.073 8.565 1.00 33.01 H new ATOM 0 HB3 ASN A 46 -7.139 12.397 8.224 1.00 33.01 H new ATOM 0 HD21 ASN A 46 -4.952 11.083 11.442 1.00 21.24 H new ATOM 0 HD22 ASN A 46 -4.236 12.120 10.204 1.00 21.24 H new ATOM 762 N ARG A 47 -6.510 9.659 5.851 1.00 15.12 N ATOM 763 CA ARG A 47 -7.136 8.404 5.566 1.00 44.04 C ATOM 764 C ARG A 47 -6.181 7.501 4.864 1.00 34.11 C ATOM 765 O ARG A 47 -5.284 7.962 4.148 1.00 63.55 O ATOM 766 CB ARG A 47 -8.418 8.556 4.763 1.00 44.44 C ATOM 767 CG ARG A 47 -9.509 9.347 5.461 1.00 53.31 C ATOM 768 CD ARG A 47 -10.766 9.347 4.627 1.00 45.32 C ATOM 769 NE ARG A 47 -11.853 10.136 5.214 1.00 2.33 N ATOM 770 CZ ARG A 47 -13.126 10.086 4.795 1.00 11.14 C ATOM 771 NH1 ARG A 47 -13.496 9.187 3.885 1.00 54.42 N ATOM 772 NH2 ARG A 47 -14.028 10.910 5.306 1.00 20.11 N ATOM 0 H ARG A 47 -6.397 10.275 5.046 1.00 15.12 H new ATOM 0 HA ARG A 47 -7.417 7.961 6.522 1.00 44.04 H new ATOM 0 HB2 ARG A 47 -8.183 9.043 3.816 1.00 44.44 H new ATOM 0 HB3 ARG A 47 -8.802 7.564 4.525 1.00 44.44 H new ATOM 0 HG2 ARG A 47 -9.713 8.913 6.440 1.00 53.31 H new ATOM 0 HG3 ARG A 47 -9.175 10.371 5.629 1.00 53.31 H new ATOM 0 HD2 ARG A 47 -10.536 9.739 3.636 1.00 45.32 H new ATOM 0 HD3 ARG A 47 -11.104 8.320 4.492 1.00 45.32 H new ATOM 0 HE ARG A 47 -11.628 10.761 5.988 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -12.811 8.534 3.505 1.00 54.42 H new ATOM 0 HH12 ARG A 47 -14.465 9.151 3.568 1.00 54.42 H new ATOM 0 HH21 ARG A 47 -13.755 11.585 6.020 1.00 20.11 H new ATOM 0 HH22 ARG A 47 -14.995 10.870 4.985 1.00 20.11 H new ATOM 786 N GLN A 48 -6.361 6.245 5.078 1.00 4.25 N ATOM 787 CA GLN A 48 -5.525 5.242 4.576 1.00 33.21 C ATOM 788 C GLN A 48 -6.165 4.455 3.435 1.00 34.23 C ATOM 789 O GLN A 48 -7.324 4.029 3.514 1.00 51.15 O ATOM 790 CB GLN A 48 -5.131 4.354 5.736 1.00 61.23 C ATOM 791 CG GLN A 48 -4.493 3.054 5.359 1.00 64.20 C ATOM 792 CD GLN A 48 -4.002 2.280 6.562 1.00 74.02 C ATOM 793 OE1 GLN A 48 -3.619 2.855 7.587 1.00 1.41 O ATOM 794 NE2 GLN A 48 -4.038 0.987 6.471 1.00 24.40 N ATOM 0 H GLN A 48 -7.135 5.885 5.636 1.00 4.25 H new ATOM 0 HA GLN A 48 -4.638 5.694 4.132 1.00 33.21 H new ATOM 0 HB2 GLN A 48 -4.443 4.905 6.377 1.00 61.23 H new ATOM 0 HB3 GLN A 48 -6.021 4.144 6.330 1.00 61.23 H new ATOM 0 HG2 GLN A 48 -5.211 2.447 4.808 1.00 64.20 H new ATOM 0 HG3 GLN A 48 -3.656 3.245 4.687 1.00 64.20 H new ATOM 0 HE21 GLN A 48 -4.360 0.545 5.610 1.00 24.40 H new ATOM 0 HE22 GLN A 48 -3.745 0.412 7.261 1.00 24.40 H new ATOM 803 N VAL A 49 -5.412 4.304 2.377 1.00 71.34 N ATOM 804 CA VAL A 49 -5.794 3.525 1.220 1.00 40.23 C ATOM 805 C VAL A 49 -4.666 2.585 0.858 1.00 10.13 C ATOM 806 O VAL A 49 -3.502 2.921 1.026 1.00 35.22 O ATOM 807 CB VAL A 49 -6.160 4.417 -0.016 1.00 1.05 C ATOM 808 CG1 VAL A 49 -7.420 5.220 0.255 1.00 11.34 C ATOM 809 CG2 VAL A 49 -5.009 5.353 -0.387 1.00 62.25 C ATOM 0 H VAL A 49 -4.489 4.730 2.290 1.00 71.34 H new ATOM 0 HA VAL A 49 -6.691 2.964 1.483 1.00 40.23 H new ATOM 0 HB VAL A 49 -6.342 3.751 -0.859 1.00 1.05 H new ATOM 0 HG11 VAL A 49 -7.656 5.832 -0.616 1.00 11.34 H new ATOM 0 HG12 VAL A 49 -8.248 4.541 0.456 1.00 11.34 H new ATOM 0 HG13 VAL A 49 -7.262 5.865 1.119 1.00 11.34 H new ATOM 0 HG21 VAL A 49 -5.295 5.958 -1.248 1.00 62.25 H new ATOM 0 HG22 VAL A 49 -4.784 6.006 0.457 1.00 62.25 H new ATOM 0 HG23 VAL A 49 -4.126 4.764 -0.635 1.00 62.25 H new ATOM 819 N CYS A 50 -5.004 1.403 0.438 1.00 61.30 N ATOM 820 CA CYS A 50 -4.018 0.440 -0.020 1.00 24.13 C ATOM 821 C CYS A 50 -3.345 0.942 -1.281 1.00 14.21 C ATOM 822 O CYS A 50 -4.017 1.382 -2.208 1.00 11.25 O ATOM 823 CB CYS A 50 -4.673 -0.914 -0.259 1.00 20.22 C ATOM 824 SG CYS A 50 -5.400 -1.648 1.258 1.00 31.25 S ATOM 0 H CYS A 50 -5.967 1.068 0.399 1.00 61.30 H new ATOM 0 HA CYS A 50 -3.257 0.319 0.751 1.00 24.13 H new ATOM 0 HB2 CYS A 50 -5.454 -0.804 -1.011 1.00 20.22 H new ATOM 0 HB3 CYS A 50 -3.932 -1.601 -0.667 1.00 20.22 H new ATOM 829 N ILE A 51 -2.034 0.891 -1.318 1.00 2.43 N ATOM 830 CA ILE A 51 -1.315 1.402 -2.453 1.00 25.04 C ATOM 831 C ILE A 51 -1.015 0.275 -3.394 1.00 52.34 C ATOM 832 O ILE A 51 -0.720 -0.839 -2.960 1.00 24.03 O ATOM 833 CB ILE A 51 0.044 2.038 -2.097 1.00 10.22 C ATOM 834 CG1 ILE A 51 -0.036 2.880 -0.848 1.00 1.24 C ATOM 835 CG2 ILE A 51 0.478 2.917 -3.259 1.00 23.41 C ATOM 836 CD1 ILE A 51 1.308 3.485 -0.450 1.00 23.30 C ATOM 0 H ILE A 51 -1.449 0.502 -0.578 1.00 2.43 H new ATOM 0 HA ILE A 51 -1.957 2.169 -2.886 1.00 25.04 H new ATOM 0 HB ILE A 51 0.761 1.238 -1.912 1.00 10.22 H new ATOM 0 HG12 ILE A 51 -0.758 3.682 -1.003 1.00 1.24 H new ATOM 0 HG13 ILE A 51 -0.410 2.268 -0.027 1.00 1.24 H new ATOM 0 HG21 ILE A 51 1.439 3.377 -3.028 1.00 23.41 H new ATOM 0 HG22 ILE A 51 0.574 2.309 -4.159 1.00 23.41 H new ATOM 0 HG23 ILE A 51 -0.267 3.695 -3.425 1.00 23.41 H new ATOM 0 HD11 ILE A 51 1.186 4.080 0.455 1.00 23.30 H new ATOM 0 HD12 ILE A 51 2.026 2.686 -0.265 1.00 23.30 H new ATOM 0 HD13 ILE A 51 1.673 4.122 -1.256 1.00 23.30 H new ATOM 848 N ASP A 52 -1.091 0.569 -4.651 1.00 61.30 N ATOM 849 CA ASP A 52 -0.762 -0.364 -5.699 1.00 75.01 C ATOM 850 C ASP A 52 0.752 -0.661 -5.681 1.00 42.40 C ATOM 851 O ASP A 52 1.575 0.256 -5.719 1.00 21.24 O ATOM 852 CB ASP A 52 -1.195 0.239 -7.029 1.00 52.40 C ATOM 853 CG ASP A 52 -0.783 -0.561 -8.219 1.00 11.44 C ATOM 854 OD1 ASP A 52 0.324 -0.340 -8.725 1.00 40.53 O ATOM 855 OD2 ASP A 52 -1.579 -1.396 -8.690 1.00 31.54 O ATOM 0 H ASP A 52 -1.389 1.482 -4.994 1.00 61.30 H new ATOM 0 HA ASP A 52 -1.283 -1.310 -5.550 1.00 75.01 H new ATOM 0 HB2 ASP A 52 -2.280 0.345 -7.033 1.00 52.40 H new ATOM 0 HB3 ASP A 52 -0.777 1.242 -7.115 1.00 52.40 H new ATOM 860 N PRO A 53 1.122 -1.949 -5.618 1.00 3.41 N ATOM 861 CA PRO A 53 2.521 -2.377 -5.470 1.00 70.45 C ATOM 862 C PRO A 53 3.389 -2.205 -6.707 1.00 21.22 C ATOM 863 O PRO A 53 4.625 -2.199 -6.609 1.00 11.12 O ATOM 864 CB PRO A 53 2.401 -3.844 -5.112 1.00 44.11 C ATOM 865 CG PRO A 53 1.127 -4.283 -5.736 1.00 42.33 C ATOM 866 CD PRO A 53 0.205 -3.103 -5.669 1.00 2.31 C ATOM 0 HA PRO A 53 3.025 -1.759 -4.727 1.00 70.45 H new ATOM 0 HB2 PRO A 53 3.247 -4.415 -5.495 1.00 44.11 H new ATOM 0 HB3 PRO A 53 2.383 -3.987 -4.032 1.00 44.11 H new ATOM 0 HG2 PRO A 53 1.286 -4.596 -6.768 1.00 42.33 H new ATOM 0 HG3 PRO A 53 0.707 -5.137 -5.205 1.00 42.33 H new ATOM 0 HD2 PRO A 53 -0.450 -3.056 -6.539 1.00 2.31 H new ATOM 0 HD3 PRO A 53 -0.436 -3.145 -4.789 1.00 2.31 H new ATOM 874 N LYS A 54 2.778 -2.064 -7.858 1.00 44.42 N ATOM 875 CA LYS A 54 3.545 -1.911 -9.054 1.00 54.15 C ATOM 876 C LYS A 54 3.948 -0.491 -9.395 1.00 43.31 C ATOM 877 O LYS A 54 4.682 -0.261 -10.360 1.00 54.24 O ATOM 878 CB LYS A 54 3.218 -2.886 -10.238 1.00 40.30 C ATOM 879 CG LYS A 54 1.750 -3.142 -10.585 1.00 13.32 C ATOM 880 CD LYS A 54 1.024 -1.933 -11.104 1.00 43.13 C ATOM 881 CE LYS A 54 -0.423 -2.293 -11.435 1.00 21.45 C ATOM 882 NZ LYS A 54 -1.210 -1.118 -11.843 1.00 74.44 N ATOM 0 H LYS A 54 1.766 -2.053 -7.984 1.00 44.42 H new ATOM 0 HA LYS A 54 4.509 -2.330 -8.766 1.00 54.15 H new ATOM 0 HB2 LYS A 54 3.708 -2.499 -11.132 1.00 40.30 H new ATOM 0 HB3 LYS A 54 3.679 -3.848 -10.013 1.00 40.30 H new ATOM 0 HG2 LYS A 54 1.697 -3.933 -11.333 1.00 13.32 H new ATOM 0 HG3 LYS A 54 1.236 -3.508 -9.696 1.00 13.32 H new ATOM 0 HD2 LYS A 54 1.048 -1.137 -10.360 1.00 43.13 H new ATOM 0 HD3 LYS A 54 1.525 -1.552 -11.994 1.00 43.13 H new ATOM 0 HE2 LYS A 54 -0.437 -3.033 -12.235 1.00 21.45 H new ATOM 0 HE3 LYS A 54 -0.889 -2.755 -10.565 1.00 21.45 H new ATOM 0 HZ1 LYS A 54 -2.185 -1.410 -12.058 1.00 74.44 H new ATOM 0 HZ2 LYS A 54 -1.220 -0.421 -11.071 1.00 74.44 H new ATOM 0 HZ3 LYS A 54 -0.783 -0.691 -12.689 1.00 74.44 H new ATOM 896 N LEU A 55 3.475 0.470 -8.580 1.00 73.10 N ATOM 897 CA LEU A 55 3.946 1.853 -8.674 1.00 54.53 C ATOM 898 C LEU A 55 5.462 1.891 -8.537 1.00 52.42 C ATOM 899 O LEU A 55 6.039 1.352 -7.573 1.00 73.23 O ATOM 900 CB LEU A 55 3.331 2.753 -7.596 1.00 14.10 C ATOM 901 CG LEU A 55 1.841 3.036 -7.686 1.00 74.42 C ATOM 902 CD1 LEU A 55 1.420 3.914 -6.527 1.00 74.12 C ATOM 903 CD2 LEU A 55 1.519 3.724 -8.997 1.00 75.42 C ATOM 0 H LEU A 55 2.773 0.311 -7.857 1.00 73.10 H new ATOM 0 HA LEU A 55 3.636 2.231 -9.648 1.00 54.53 H new ATOM 0 HB2 LEU A 55 3.529 2.299 -6.625 1.00 14.10 H new ATOM 0 HB3 LEU A 55 3.857 3.708 -7.615 1.00 14.10 H new ATOM 0 HG LEU A 55 1.296 2.093 -7.641 1.00 74.42 H new ATOM 0 HD11 LEU A 55 0.351 4.116 -6.593 1.00 74.12 H new ATOM 0 HD12 LEU A 55 1.636 3.405 -5.588 1.00 74.12 H new ATOM 0 HD13 LEU A 55 1.970 4.854 -6.564 1.00 74.12 H new ATOM 0 HD21 LEU A 55 0.448 3.922 -9.051 1.00 75.42 H new ATOM 0 HD22 LEU A 55 2.066 4.665 -9.058 1.00 75.42 H new ATOM 0 HD23 LEU A 55 1.811 3.081 -9.827 1.00 75.42 H new ATOM 915 N LYS A 56 6.088 2.537 -9.478 1.00 1.20 N ATOM 916 CA LYS A 56 7.531 2.599 -9.579 1.00 42.13 C ATOM 917 C LYS A 56 8.130 3.288 -8.337 1.00 61.31 C ATOM 918 O LYS A 56 9.156 2.841 -7.815 1.00 65.35 O ATOM 919 CB LYS A 56 7.886 3.339 -10.903 1.00 33.45 C ATOM 920 CG LYS A 56 9.344 3.287 -11.413 1.00 21.40 C ATOM 921 CD LYS A 56 10.358 3.982 -10.514 1.00 32.24 C ATOM 922 CE LYS A 56 11.736 4.016 -11.172 1.00 51.13 C ATOM 923 NZ LYS A 56 12.228 2.665 -11.518 1.00 53.20 N ATOM 0 H LYS A 56 5.605 3.049 -10.216 1.00 1.20 H new ATOM 0 HA LYS A 56 7.963 1.599 -9.608 1.00 42.13 H new ATOM 0 HB2 LYS A 56 7.246 2.937 -11.689 1.00 33.45 H new ATOM 0 HB3 LYS A 56 7.616 4.388 -10.778 1.00 33.45 H new ATOM 0 HG2 LYS A 56 9.637 2.244 -11.529 1.00 21.40 H new ATOM 0 HG3 LYS A 56 9.385 3.742 -12.403 1.00 21.40 H new ATOM 0 HD2 LYS A 56 10.026 4.999 -10.303 1.00 32.24 H new ATOM 0 HD3 LYS A 56 10.420 3.462 -9.558 1.00 32.24 H new ATOM 0 HE2 LYS A 56 11.690 4.625 -12.075 1.00 51.13 H new ATOM 0 HE3 LYS A 56 12.446 4.497 -10.499 1.00 51.13 H new ATOM 0 HZ1 LYS A 56 13.227 2.722 -11.803 1.00 53.20 H new ATOM 0 HZ2 LYS A 56 12.139 2.041 -10.691 1.00 53.20 H new ATOM 0 HZ3 LYS A 56 11.665 2.281 -12.304 1.00 53.20 H new ATOM 937 N TRP A 57 7.474 4.346 -7.834 1.00 70.34 N ATOM 938 CA TRP A 57 8.032 5.060 -6.682 1.00 53.14 C ATOM 939 C TRP A 57 7.971 4.204 -5.429 1.00 61.25 C ATOM 940 O TRP A 57 8.829 4.296 -4.574 1.00 52.23 O ATOM 941 CB TRP A 57 7.377 6.451 -6.425 1.00 63.00 C ATOM 942 CG TRP A 57 5.948 6.462 -5.894 1.00 72.31 C ATOM 943 CD1 TRP A 57 4.799 6.676 -6.596 1.00 21.43 C ATOM 944 CD2 TRP A 57 5.541 6.273 -4.522 1.00 55.35 C ATOM 945 NE1 TRP A 57 3.712 6.628 -5.749 1.00 13.13 N ATOM 946 CE2 TRP A 57 4.144 6.379 -4.477 1.00 35.03 C ATOM 947 CE3 TRP A 57 6.233 6.019 -3.334 1.00 63.14 C ATOM 948 CZ2 TRP A 57 3.423 6.244 -3.290 1.00 45.14 C ATOM 949 CZ3 TRP A 57 5.521 5.883 -2.169 1.00 4.54 C ATOM 950 CH2 TRP A 57 4.128 5.996 -2.156 1.00 63.03 C ATOM 0 H TRP A 57 6.592 4.713 -8.191 1.00 70.34 H new ATOM 0 HA TRP A 57 9.074 5.256 -6.935 1.00 53.14 H new ATOM 0 HB2 TRP A 57 8.004 6.994 -5.718 1.00 63.00 H new ATOM 0 HB3 TRP A 57 7.394 7.010 -7.361 1.00 63.00 H new ATOM 0 HD1 TRP A 57 4.748 6.857 -7.660 1.00 21.43 H new ATOM 0 HE1 TRP A 57 2.739 6.758 -6.028 1.00 13.13 H new ATOM 0 HE3 TRP A 57 7.309 5.931 -3.333 1.00 63.14 H new ATOM 0 HZ2 TRP A 57 2.347 6.333 -3.274 1.00 45.14 H new ATOM 0 HZ3 TRP A 57 6.046 5.685 -1.246 1.00 4.54 H new ATOM 0 HH2 TRP A 57 3.599 5.883 -1.221 1.00 63.03 H new ATOM 961 N ILE A 58 6.951 3.367 -5.340 1.00 71.10 N ATOM 962 CA ILE A 58 6.757 2.490 -4.194 1.00 52.23 C ATOM 963 C ILE A 58 7.906 1.531 -4.048 1.00 63.20 C ATOM 964 O ILE A 58 8.547 1.464 -2.997 1.00 52.53 O ATOM 965 CB ILE A 58 5.427 1.680 -4.369 1.00 4.31 C ATOM 966 CG1 ILE A 58 4.215 2.503 -3.967 1.00 62.31 C ATOM 967 CG2 ILE A 58 5.455 0.346 -3.638 1.00 20.33 C ATOM 968 CD1 ILE A 58 4.149 2.752 -2.487 1.00 30.44 C ATOM 0 H ILE A 58 6.233 3.275 -6.059 1.00 71.10 H new ATOM 0 HA ILE A 58 6.703 3.108 -3.298 1.00 52.23 H new ATOM 0 HB ILE A 58 5.341 1.454 -5.432 1.00 4.31 H new ATOM 0 HG12 ILE A 58 4.239 3.458 -4.491 1.00 62.31 H new ATOM 0 HG13 ILE A 58 3.309 1.988 -4.285 1.00 62.31 H new ATOM 0 HG21 ILE A 58 4.509 -0.174 -3.793 1.00 20.33 H new ATOM 0 HG22 ILE A 58 6.272 -0.264 -4.025 1.00 20.33 H new ATOM 0 HG23 ILE A 58 5.604 0.518 -2.572 1.00 20.33 H new ATOM 0 HD11 ILE A 58 3.263 3.344 -2.257 1.00 30.44 H new ATOM 0 HD12 ILE A 58 4.095 1.799 -1.960 1.00 30.44 H new ATOM 0 HD13 ILE A 58 5.040 3.293 -2.169 1.00 30.44 H new ATOM 980 N GLN A 59 8.201 0.851 -5.107 1.00 73.25 N ATOM 981 CA GLN A 59 9.204 -0.159 -5.081 1.00 42.23 C ATOM 982 C GLN A 59 10.602 0.427 -5.002 1.00 41.13 C ATOM 983 O GLN A 59 11.498 -0.143 -4.400 1.00 22.12 O ATOM 984 CB GLN A 59 9.003 -1.139 -6.226 1.00 4.31 C ATOM 985 CG GLN A 59 8.968 -0.531 -7.609 1.00 54.10 C ATOM 986 CD GLN A 59 8.561 -1.549 -8.651 1.00 2.42 C ATOM 987 OE1 GLN A 59 7.723 -2.485 -8.264 1.00 34.04 O flip ATOM 988 NE2 GLN A 59 8.973 -1.475 -9.804 1.00 14.52 N flip ATOM 0 H GLN A 59 7.753 0.981 -6.014 1.00 73.25 H new ATOM 0 HA GLN A 59 9.096 -0.735 -4.162 1.00 42.23 H new ATOM 0 HB2 GLN A 59 9.805 -1.877 -6.194 1.00 4.31 H new ATOM 0 HB3 GLN A 59 8.069 -1.676 -6.061 1.00 4.31 H new ATOM 0 HG2 GLN A 59 8.269 0.305 -7.623 1.00 54.10 H new ATOM 0 HG3 GLN A 59 9.950 -0.129 -7.856 1.00 54.10 H new ATOM 0 HE21 GLN A 59 9.623 -0.734 -10.067 1.00 14.52 H new ATOM 0 HE22 GLN A 59 8.666 -2.154 -10.500 1.00 14.52 H new ATOM 997 N GLU A 60 10.773 1.584 -5.562 1.00 74.31 N ATOM 998 CA GLU A 60 12.056 2.235 -5.522 1.00 71.34 C ATOM 999 C GLU A 60 12.312 2.881 -4.160 1.00 31.00 C ATOM 1000 O GLU A 60 13.449 3.137 -3.776 1.00 22.04 O ATOM 1001 CB GLU A 60 12.195 3.226 -6.679 1.00 5.50 C ATOM 1002 CG GLU A 60 13.500 3.982 -6.718 1.00 2.54 C ATOM 1003 CD GLU A 60 13.582 4.913 -7.883 1.00 62.03 C ATOM 1004 OE1 GLU A 60 13.083 6.049 -7.785 1.00 31.43 O ATOM 1005 OE2 GLU A 60 14.153 4.518 -8.922 1.00 71.04 O ATOM 0 H GLU A 60 10.044 2.101 -6.053 1.00 74.31 H new ATOM 0 HA GLU A 60 12.830 1.479 -5.652 1.00 71.34 H new ATOM 0 HB2 GLU A 60 12.078 2.684 -7.618 1.00 5.50 H new ATOM 0 HB3 GLU A 60 11.378 3.945 -6.622 1.00 5.50 H new ATOM 0 HG2 GLU A 60 13.617 4.549 -5.794 1.00 2.54 H new ATOM 0 HG3 GLU A 60 14.327 3.273 -6.764 1.00 2.54 H new ATOM 1012 N TYR A 61 11.285 3.078 -3.421 1.00 64.22 N ATOM 1013 CA TYR A 61 11.417 3.734 -2.174 1.00 3.21 C ATOM 1014 C TYR A 61 11.333 2.753 -1.043 1.00 1.31 C ATOM 1015 O TYR A 61 12.292 2.537 -0.326 1.00 31.21 O ATOM 1016 CB TYR A 61 10.378 4.844 -2.038 1.00 53.01 C ATOM 1017 CG TYR A 61 10.366 5.504 -0.700 1.00 42.45 C ATOM 1018 CD1 TYR A 61 11.498 6.129 -0.211 1.00 33.24 C ATOM 1019 CD2 TYR A 61 9.226 5.480 0.085 1.00 32.45 C ATOM 1020 CE1 TYR A 61 11.501 6.726 1.026 1.00 73.14 C ATOM 1021 CE2 TYR A 61 9.214 6.074 1.332 1.00 22.32 C ATOM 1022 CZ TYR A 61 10.362 6.699 1.796 1.00 14.22 C ATOM 1023 OH TYR A 61 10.369 7.289 3.033 1.00 21.31 O ATOM 0 H TYR A 61 10.336 2.792 -3.660 1.00 64.22 H new ATOM 0 HA TYR A 61 12.402 4.198 -2.129 1.00 3.21 H new ATOM 0 HB2 TYR A 61 10.565 5.598 -2.802 1.00 53.01 H new ATOM 0 HB3 TYR A 61 9.390 4.429 -2.236 1.00 53.01 H new ATOM 0 HD1 TYR A 61 12.395 6.148 -0.812 1.00 33.24 H new ATOM 0 HD2 TYR A 61 8.336 4.991 -0.282 1.00 32.45 H new ATOM 0 HE1 TYR A 61 12.393 7.214 1.392 1.00 73.14 H new ATOM 0 HE2 TYR A 61 8.321 6.052 1.939 1.00 22.32 H new ATOM 0 HH TYR A 61 9.488 7.185 3.450 1.00 21.31 H new ATOM 1033 N LEU A 62 10.225 2.121 -0.918 1.00 32.22 N ATOM 1034 CA LEU A 62 9.996 1.244 0.187 1.00 0.31 C ATOM 1035 C LEU A 62 10.817 -0.023 0.033 1.00 54.25 C ATOM 1036 O LEU A 62 11.273 -0.601 1.002 1.00 54.23 O ATOM 1037 CB LEU A 62 8.520 0.925 0.264 1.00 3.22 C ATOM 1038 CG LEU A 62 7.907 0.835 1.673 1.00 24.24 C ATOM 1039 CD1 LEU A 62 8.454 -0.345 2.463 1.00 2.41 C ATOM 1040 CD2 LEU A 62 8.170 2.118 2.424 1.00 5.42 C ATOM 0 H LEU A 62 9.447 2.192 -1.574 1.00 32.22 H new ATOM 0 HA LEU A 62 10.305 1.730 1.113 1.00 0.31 H new ATOM 0 HB2 LEU A 62 7.977 1.687 -0.296 1.00 3.22 H new ATOM 0 HB3 LEU A 62 8.350 -0.025 -0.243 1.00 3.22 H new ATOM 0 HG LEU A 62 6.834 0.682 1.557 1.00 24.24 H new ATOM 0 HD11 LEU A 62 7.992 -0.367 3.450 1.00 2.41 H new ATOM 0 HD12 LEU A 62 8.228 -1.272 1.936 1.00 2.41 H new ATOM 0 HD13 LEU A 62 9.534 -0.242 2.570 1.00 2.41 H new ATOM 0 HD21 LEU A 62 7.735 2.052 3.421 1.00 5.42 H new ATOM 0 HD22 LEU A 62 9.245 2.277 2.507 1.00 5.42 H new ATOM 0 HD23 LEU A 62 7.720 2.953 1.887 1.00 5.42 H new ATOM 1052 N GLU A 63 11.089 -0.387 -1.177 1.00 60.21 N ATOM 1053 CA GLU A 63 11.757 -1.648 -1.410 1.00 41.02 C ATOM 1054 C GLU A 63 13.229 -1.463 -1.622 1.00 63.02 C ATOM 1055 O GLU A 63 14.018 -2.360 -1.351 1.00 54.31 O ATOM 1056 CB GLU A 63 11.110 -2.470 -2.534 1.00 15.54 C ATOM 1057 CG GLU A 63 9.761 -3.084 -2.163 1.00 3.24 C ATOM 1058 CD GLU A 63 9.883 -4.143 -1.070 1.00 23.03 C ATOM 1059 OE1 GLU A 63 10.087 -5.344 -1.408 1.00 34.15 O ATOM 1060 OE2 GLU A 63 9.788 -3.804 0.126 1.00 44.13 O ATOM 0 H GLU A 63 10.868 0.152 -2.014 1.00 60.21 H new ATOM 0 HA GLU A 63 11.631 -2.236 -0.501 1.00 41.02 H new ATOM 0 HB2 GLU A 63 10.978 -1.831 -3.407 1.00 15.54 H new ATOM 0 HB3 GLU A 63 11.793 -3.269 -2.824 1.00 15.54 H new ATOM 0 HG2 GLU A 63 9.086 -2.296 -1.828 1.00 3.24 H new ATOM 0 HG3 GLU A 63 9.313 -3.532 -3.050 1.00 3.24 H new ATOM 1067 N LYS A 64 13.617 -0.300 -2.081 1.00 4.11 N ATOM 1068 CA LYS A 64 15.010 -0.069 -2.353 1.00 52.43 C ATOM 1069 C LYS A 64 15.659 0.768 -1.260 1.00 45.52 C ATOM 1070 O LYS A 64 16.851 0.632 -0.997 1.00 12.12 O ATOM 1071 CB LYS A 64 15.194 0.555 -3.748 1.00 42.03 C ATOM 1072 CG LYS A 64 16.637 0.823 -4.169 1.00 72.12 C ATOM 1073 CD LYS A 64 17.457 -0.461 -4.214 1.00 25.13 C ATOM 1074 CE LYS A 64 18.870 -0.206 -4.714 1.00 50.44 C ATOM 1075 NZ LYS A 64 18.883 0.354 -6.089 1.00 2.33 N ATOM 0 H LYS A 64 12.999 0.489 -2.271 1.00 4.11 H new ATOM 0 HA LYS A 64 15.522 -1.031 -2.354 1.00 52.43 H new ATOM 0 HB2 LYS A 64 14.737 -0.106 -4.484 1.00 42.03 H new ATOM 0 HB3 LYS A 64 14.645 1.496 -3.780 1.00 42.03 H new ATOM 0 HG2 LYS A 64 16.648 1.297 -5.151 1.00 72.12 H new ATOM 0 HG3 LYS A 64 17.096 1.524 -3.472 1.00 72.12 H new ATOM 0 HD2 LYS A 64 17.497 -0.903 -3.218 1.00 25.13 H new ATOM 0 HD3 LYS A 64 16.965 -1.185 -4.864 1.00 25.13 H new ATOM 0 HE2 LYS A 64 19.375 0.484 -4.037 1.00 50.44 H new ATOM 0 HE3 LYS A 64 19.434 -1.139 -4.697 1.00 50.44 H new ATOM 0 HZ1 LYS A 64 19.841 0.276 -6.486 1.00 2.33 H new ATOM 0 HZ2 LYS A 64 18.217 -0.176 -6.686 1.00 2.33 H new ATOM 0 HZ3 LYS A 64 18.601 1.354 -6.059 1.00 2.33 H new ATOM 1089 N ALA A 65 14.887 1.606 -0.608 1.00 34.23 N ATOM 1090 CA ALA A 65 15.466 2.462 0.433 1.00 60.51 C ATOM 1091 C ALA A 65 15.218 1.891 1.811 1.00 14.33 C ATOM 1092 O ALA A 65 16.105 1.880 2.658 1.00 71.23 O ATOM 1093 CB ALA A 65 14.952 3.894 0.341 1.00 52.44 C ATOM 0 H ALA A 65 13.886 1.722 -0.763 1.00 34.23 H new ATOM 0 HA ALA A 65 16.542 2.488 0.263 1.00 60.51 H new ATOM 0 HB1 ALA A 65 15.405 4.495 1.130 1.00 52.44 H new ATOM 0 HB2 ALA A 65 15.214 4.313 -0.630 1.00 52.44 H new ATOM 0 HB3 ALA A 65 13.868 3.900 0.458 1.00 52.44 H new ATOM 1099 N LEU A 66 14.016 1.418 2.035 1.00 51.25 N ATOM 1100 CA LEU A 66 13.654 0.851 3.332 1.00 51.42 C ATOM 1101 C LEU A 66 14.064 -0.580 3.454 1.00 3.41 C ATOM 1102 O LEU A 66 14.626 -1.001 4.467 1.00 72.54 O ATOM 1103 CB LEU A 66 12.141 0.970 3.603 1.00 11.22 C ATOM 1104 CG LEU A 66 11.592 2.340 4.076 1.00 63.12 C ATOM 1105 CD1 LEU A 66 12.227 2.756 5.396 1.00 51.54 C ATOM 1106 CD2 LEU A 66 11.791 3.428 3.027 1.00 4.12 C ATOM 0 H LEU A 66 13.266 1.410 1.344 1.00 51.25 H new ATOM 0 HA LEU A 66 14.197 1.433 4.077 1.00 51.42 H new ATOM 0 HB2 LEU A 66 11.615 0.698 2.688 1.00 11.22 H new ATOM 0 HB3 LEU A 66 11.877 0.227 4.355 1.00 11.22 H new ATOM 0 HG LEU A 66 10.519 2.218 4.226 1.00 63.12 H new ATOM 0 HD11 LEU A 66 11.824 3.721 5.705 1.00 51.54 H new ATOM 0 HD12 LEU A 66 12.005 2.009 6.158 1.00 51.54 H new ATOM 0 HD13 LEU A 66 13.307 2.837 5.271 1.00 51.54 H new ATOM 0 HD21 LEU A 66 11.392 4.371 3.401 1.00 4.12 H new ATOM 0 HD22 LEU A 66 12.855 3.542 2.818 1.00 4.12 H new ATOM 0 HD23 LEU A 66 11.269 3.150 2.111 1.00 4.12 H new ATOM 1118 N ASN A 67 13.823 -1.309 2.429 1.00 52.41 N ATOM 1119 CA ASN A 67 14.040 -2.717 2.458 1.00 71.25 C ATOM 1120 C ASN A 67 15.458 -3.016 2.031 1.00 22.30 C ATOM 1121 O ASN A 67 16.214 -3.642 2.772 1.00 2.44 O ATOM 1122 CB ASN A 67 13.031 -3.350 1.532 1.00 14.53 C ATOM 1123 CG ASN A 67 12.875 -4.829 1.693 1.00 73.23 C ATOM 1124 OD1 ASN A 67 13.813 -5.564 1.997 1.00 54.15 O ATOM 1125 ND2 ASN A 67 11.678 -5.268 1.520 1.00 13.40 N ATOM 0 H ASN A 67 13.469 -0.952 1.542 1.00 52.41 H new ATOM 0 HA ASN A 67 13.911 -3.123 3.461 1.00 71.25 H new ATOM 0 HB2 ASN A 67 12.063 -2.877 1.694 1.00 14.53 H new ATOM 0 HB3 ASN A 67 13.321 -3.139 0.503 1.00 14.53 H new ATOM 0 HD21 ASN A 67 11.478 -6.262 1.635 1.00 13.40 H new ATOM 0 HD22 ASN A 67 10.929 -4.622 1.268 1.00 13.40 H new ATOM 1132 N LYS A 68 15.805 -2.517 0.858 1.00 61.44 N ATOM 1133 CA LYS A 68 17.122 -2.660 0.252 1.00 20.40 C ATOM 1134 C LYS A 68 17.554 -4.128 0.148 1.00 45.40 C ATOM 1135 O LYS A 68 18.213 -4.655 1.074 1.00 38.03 O ATOM 1136 CB LYS A 68 18.170 -1.789 0.959 1.00 20.22 C ATOM 1137 CG LYS A 68 19.525 -1.815 0.283 1.00 23.12 C ATOM 1138 CD LYS A 68 20.504 -0.874 0.944 1.00 41.50 C ATOM 1139 CE LYS A 68 21.836 -0.926 0.237 1.00 21.45 C ATOM 1140 NZ LYS A 68 22.800 0.039 0.786 1.00 4.52 N ATOM 1141 OXT LYS A 68 17.210 -4.768 -0.858 1.00 38.03 O ATOM 0 H LYS A 68 15.157 -1.982 0.279 1.00 61.44 H new ATOM 0 HA LYS A 68 17.046 -2.291 -0.771 1.00 20.40 H new ATOM 0 HB2 LYS A 68 17.811 -0.761 0.998 1.00 20.22 H new ATOM 0 HB3 LYS A 68 18.279 -2.128 1.989 1.00 20.22 H new ATOM 0 HG2 LYS A 68 19.923 -2.829 0.308 1.00 23.12 H new ATOM 0 HG3 LYS A 68 19.412 -1.543 -0.766 1.00 23.12 H new ATOM 0 HD2 LYS A 68 20.113 0.143 0.923 1.00 41.50 H new ATOM 0 HD3 LYS A 68 20.630 -1.146 1.992 1.00 41.50 H new ATOM 0 HE2 LYS A 68 22.248 -1.932 0.317 1.00 21.45 H new ATOM 0 HE3 LYS A 68 21.689 -0.725 -0.824 1.00 21.45 H new ATOM 0 HZ1 LYS A 68 23.699 -0.035 0.268 1.00 4.52 H new ATOM 0 HZ2 LYS A 68 22.421 1.003 0.687 1.00 4.52 H new ATOM 0 HZ3 LYS A 68 22.963 -0.167 1.792 1.00 4.52 H new TER 1155 LYS A 68