USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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 Single : A 3 TYR OH : rot 15:sc= 0.754 USER MOD Single : A 6 SER OG : rot 39:sc= -0.37 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.9! C(o=-2.9!,f=-2.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -69:sc= 1.22 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.862 (180deg=-1.54) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 1.06 (180deg=-0.093!) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.689) USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.8) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.705 K(o=0.7,f=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.109 F(o=-0.92,f=-0.11) USER MOD Single : B 3 TYR OH : rot 15:sc= 0.822 USER MOD Single : B 6 SER OG : rot 40:sc= -0.358 USER MOD Single : B 7 TYR OH : rot 30:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.5!) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -69:sc= 1.24 USER MOD Single : B 21 LYS NZ :NH3+ 166:sc= -0.961 (180deg=-1.62) USER MOD Single : B 24 LYS NZ :NH3+ -160:sc= 1.05 (180deg=-0.13!) USER MOD Single : B 25 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.855) USER MOD Single : B 29 SER OG : rot -170:sc= 0 USER MOD Single : B 40 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.8) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 ASN : amide:sc= 0.727 K(o=0.73,f=0) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.099 F(o=-0.9,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 2 3.897 -0.584 7.510 1.00 0.00 N ATOM 31 CA ARG A 2 3.999 0.867 7.604 1.00 0.00 C ATOM 32 C ARG A 2 4.369 1.464 6.252 1.00 0.00 C ATOM 33 O ARG A 2 3.631 2.268 5.693 1.00 0.00 O ATOM 34 CB ARG A 2 5.042 1.291 8.654 1.00 0.00 C ATOM 35 CG ARG A 2 4.711 0.860 10.075 1.00 0.00 C ATOM 36 CD ARG A 2 5.754 1.344 11.076 1.00 0.00 C ATOM 37 NE ARG A 2 5.675 2.789 11.320 1.00 0.00 N ATOM 38 CZ ARG A 2 6.667 3.513 11.849 1.00 0.00 C ATOM 39 NH1 ARG A 2 7.830 2.939 12.140 1.00 0.00 N ATOM 40 NH2 ARG A 2 6.495 4.808 12.087 1.00 0.00 N ATOM 0 HA ARG A 2 3.024 1.243 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.010 0.874 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.144 2.376 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.732 1.251 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.644 -0.227 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.622 0.812 12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.749 1.096 10.707 1.00 0.00 H new ATOM 0 HE ARG A 2 4.811 3.270 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.967 1.944 11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.585 3.493 12.543 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.604 5.253 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.254 5.358 12.491 1.00 0.00 H new ATOM 54 N TYR A 3 5.507 1.038 5.718 1.00 0.00 N ATOM 55 CA TYR A 3 6.098 1.694 4.556 1.00 0.00 C ATOM 56 C TYR A 3 5.649 1.102 3.235 1.00 0.00 C ATOM 57 O TYR A 3 5.748 1.759 2.206 1.00 0.00 O ATOM 58 CB TYR A 3 7.612 1.623 4.661 1.00 0.00 C ATOM 59 CG TYR A 3 8.095 2.077 6.004 1.00 0.00 C ATOM 60 CD1 TYR A 3 8.920 1.281 6.780 1.00 0.00 C ATOM 61 CD2 TYR A 3 7.682 3.294 6.515 1.00 0.00 C ATOM 62 CE1 TYR A 3 9.327 1.698 8.025 1.00 0.00 C ATOM 63 CE2 TYR A 3 8.085 3.718 7.751 1.00 0.00 C ATOM 64 CZ TYR A 3 8.905 2.916 8.510 1.00 0.00 C ATOM 65 OH TYR A 3 9.311 3.335 9.751 1.00 0.00 O ATOM 0 H TYR A 3 6.039 0.242 6.070 1.00 0.00 H new ATOM 0 HA TYR A 3 5.754 2.728 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.942 0.600 4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.060 2.243 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.247 0.323 6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.029 3.921 5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.975 1.073 8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.761 4.677 8.129 1.00 0.00 H new ATOM 0 HH TYR A 3 10.065 2.786 10.051 1.00 0.00 H new ATOM 75 N VAL A 4 5.160 -0.127 3.253 1.00 0.00 N ATOM 76 CA VAL A 4 4.755 -0.786 2.017 1.00 0.00 C ATOM 77 C VAL A 4 3.599 -0.045 1.355 1.00 0.00 C ATOM 78 O VAL A 4 3.517 0.027 0.136 1.00 0.00 O ATOM 79 CB VAL A 4 4.376 -2.261 2.255 1.00 0.00 C ATOM 80 CG1 VAL A 4 3.919 -2.923 0.974 1.00 0.00 C ATOM 81 CG2 VAL A 4 5.560 -3.010 2.812 1.00 0.00 C ATOM 0 H VAL A 4 5.034 -0.685 4.097 1.00 0.00 H new ATOM 0 HA VAL A 4 5.614 -0.764 1.346 1.00 0.00 H new ATOM 0 HB VAL A 4 3.553 -2.286 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.659 -3.962 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.046 -2.399 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.722 -2.886 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.286 -4.052 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.387 -2.961 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.864 -2.560 3.757 1.00 0.00 H new ATOM 91 N ALA A 5 2.733 0.531 2.169 1.00 0.00 N ATOM 92 CA ALA A 5 1.606 1.303 1.668 1.00 0.00 C ATOM 93 C ALA A 5 2.079 2.450 0.775 1.00 0.00 C ATOM 94 O ALA A 5 1.676 2.572 -0.392 1.00 0.00 O ATOM 95 CB ALA A 5 0.821 1.841 2.844 1.00 0.00 C ATOM 0 H ALA A 5 2.788 0.479 3.186 1.00 0.00 H new ATOM 0 HA ALA A 5 0.970 0.656 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.027 2.422 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.459 1.011 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.465 2.479 3.450 1.00 0.00 H new ATOM 101 N SER A 6 2.962 3.268 1.325 1.00 0.00 N ATOM 102 CA SER A 6 3.525 4.393 0.606 1.00 0.00 C ATOM 103 C SER A 6 4.473 3.918 -0.488 1.00 0.00 C ATOM 104 O SER A 6 4.549 4.523 -1.557 1.00 0.00 O ATOM 105 CB SER A 6 4.244 5.302 1.595 1.00 0.00 C ATOM 106 OG SER A 6 4.784 4.540 2.661 1.00 0.00 O ATOM 0 H SER A 6 3.306 3.169 2.280 1.00 0.00 H new ATOM 0 HA SER A 6 2.724 4.951 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.041 5.845 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.550 6.046 1.986 1.00 0.00 H new ATOM 0 HG SER A 6 5.147 3.700 2.311 1.00 0.00 H new ATOM 112 N TYR A 7 5.188 2.830 -0.214 1.00 0.00 N ATOM 113 CA TYR A 7 6.066 2.222 -1.202 1.00 0.00 C ATOM 114 C TYR A 7 5.267 1.872 -2.457 1.00 0.00 C ATOM 115 O TYR A 7 5.670 2.196 -3.580 1.00 0.00 O ATOM 116 CB TYR A 7 6.747 0.972 -0.613 1.00 0.00 C ATOM 117 CG TYR A 7 7.510 0.152 -1.623 1.00 0.00 C ATOM 118 CD1 TYR A 7 8.838 0.434 -1.905 1.00 0.00 C ATOM 119 CD2 TYR A 7 6.904 -0.906 -2.286 1.00 0.00 C ATOM 120 CE1 TYR A 7 9.545 -0.310 -2.826 1.00 0.00 C ATOM 121 CE2 TYR A 7 7.604 -1.656 -3.211 1.00 0.00 C ATOM 122 CZ TYR A 7 8.924 -1.355 -3.477 1.00 0.00 C ATOM 123 OH TYR A 7 9.622 -2.101 -4.397 1.00 0.00 O ATOM 0 H TYR A 7 5.174 2.352 0.687 1.00 0.00 H new ATOM 0 HA TYR A 7 6.846 2.932 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.430 1.282 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.988 0.342 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.327 1.250 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.872 -1.146 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.578 -0.076 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.120 -2.474 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 7 10.571 -2.116 -4.153 1.00 0.00 H new ATOM 133 N LEU A 8 4.114 1.232 -2.254 1.00 0.00 N ATOM 134 CA LEU A 8 3.238 0.882 -3.359 1.00 0.00 C ATOM 135 C LEU A 8 2.793 2.133 -4.104 1.00 0.00 C ATOM 136 O LEU A 8 3.018 2.250 -5.305 1.00 0.00 O ATOM 137 CB LEU A 8 2.006 0.101 -2.887 1.00 0.00 C ATOM 138 CG LEU A 8 2.099 -1.414 -3.025 1.00 0.00 C ATOM 139 CD1 LEU A 8 3.151 -1.957 -2.090 1.00 0.00 C ATOM 140 CD2 LEU A 8 0.750 -2.060 -2.756 1.00 0.00 C ATOM 0 H LEU A 8 3.771 0.949 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 8 3.809 0.241 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.823 0.343 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.140 0.447 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 8 2.389 -1.655 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.209 -3.040 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.117 -1.516 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.888 -1.708 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.837 -3.142 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.426 -1.817 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.018 -1.685 -3.471 1.00 0.00 H new ATOM 152 N LEU A 9 2.159 3.064 -3.383 1.00 0.00 N ATOM 153 CA LEU A 9 1.716 4.330 -3.983 1.00 0.00 C ATOM 154 C LEU A 9 2.804 4.972 -4.840 1.00 0.00 C ATOM 155 O LEU A 9 2.558 5.353 -5.985 1.00 0.00 O ATOM 156 CB LEU A 9 1.301 5.334 -2.907 1.00 0.00 C ATOM 157 CG LEU A 9 -0.138 5.233 -2.417 1.00 0.00 C ATOM 158 CD1 LEU A 9 -0.395 6.289 -1.376 1.00 0.00 C ATOM 159 CD2 LEU A 9 -1.121 5.405 -3.556 1.00 0.00 C ATOM 0 H LEU A 9 1.942 2.968 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 9 0.863 4.083 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.965 5.213 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.462 6.340 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.278 4.241 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.425 6.214 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.284 6.144 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.230 7.275 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.139 5.328 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.979 6.384 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.954 4.628 -4.301 1.00 0.00 H new ATOM 171 N ALA A 10 4.002 5.089 -4.281 1.00 0.00 N ATOM 172 CA ALA A 10 5.115 5.712 -4.984 1.00 0.00 C ATOM 173 C ALA A 10 5.437 4.959 -6.272 1.00 0.00 C ATOM 174 O ALA A 10 5.731 5.570 -7.304 1.00 0.00 O ATOM 175 CB ALA A 10 6.340 5.774 -4.084 1.00 0.00 C ATOM 0 H ALA A 10 4.227 4.760 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 10 4.824 6.728 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.164 6.242 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.109 6.360 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.626 4.764 -3.789 1.00 0.00 H new ATOM 181 N ALA A 11 5.354 3.631 -6.209 1.00 0.00 N ATOM 182 CA ALA A 11 5.613 2.787 -7.368 1.00 0.00 C ATOM 183 C ALA A 11 4.586 3.037 -8.468 1.00 0.00 C ATOM 184 O ALA A 11 4.917 3.035 -9.656 1.00 0.00 O ATOM 185 CB ALA A 11 5.600 1.319 -6.965 1.00 0.00 C ATOM 0 H ALA A 11 5.108 3.117 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 11 6.599 3.041 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.795 0.700 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.371 1.141 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.625 1.064 -6.550 1.00 0.00 H new ATOM 191 N LEU A 12 3.344 3.266 -8.061 1.00 0.00 N ATOM 192 CA LEU A 12 2.243 3.444 -9.005 1.00 0.00 C ATOM 193 C LEU A 12 2.219 4.871 -9.541 1.00 0.00 C ATOM 194 O LEU A 12 1.697 5.129 -10.625 1.00 0.00 O ATOM 195 CB LEU A 12 0.907 3.125 -8.326 1.00 0.00 C ATOM 196 CG LEU A 12 0.972 2.023 -7.267 1.00 0.00 C ATOM 197 CD1 LEU A 12 -0.378 1.808 -6.615 1.00 0.00 C ATOM 198 CD2 LEU A 12 1.504 0.728 -7.857 1.00 0.00 C ATOM 0 H LEU A 12 3.071 3.333 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 12 2.395 2.759 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.526 4.034 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.188 2.832 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 12 1.667 2.349 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.299 1.019 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.702 2.732 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.106 1.518 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.539 -0.037 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.848 0.399 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.507 0.892 -8.250 1.00 0.00 H new ATOM 210 N GLY A 13 2.787 5.789 -8.769 1.00 0.00 N ATOM 211 CA GLY A 13 2.790 7.189 -9.146 1.00 0.00 C ATOM 212 C GLY A 13 3.667 7.474 -10.349 1.00 0.00 C ATOM 213 O GLY A 13 3.491 8.485 -11.029 1.00 0.00 O ATOM 0 H GLY A 13 3.249 5.586 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.769 7.504 -9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.134 7.787 -8.302 1.00 0.00 H new ATOM 217 N GLY A 14 4.611 6.586 -10.617 1.00 0.00 N ATOM 218 CA GLY A 14 5.491 6.769 -11.752 1.00 0.00 C ATOM 219 C GLY A 14 6.919 6.391 -11.436 1.00 0.00 C ATOM 220 O GLY A 14 7.740 6.218 -12.335 1.00 0.00 O ATOM 0 H GLY A 14 4.784 5.743 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.134 6.166 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.455 7.810 -12.073 1.00 0.00 H new ATOM 224 N ASN A 15 7.222 6.266 -10.155 1.00 0.00 N ATOM 225 CA ASN A 15 8.554 5.870 -9.732 1.00 0.00 C ATOM 226 C ASN A 15 8.514 4.448 -9.189 1.00 0.00 C ATOM 227 O ASN A 15 8.349 4.237 -7.992 1.00 0.00 O ATOM 228 CB ASN A 15 9.094 6.841 -8.675 1.00 0.00 C ATOM 229 CG ASN A 15 10.543 6.567 -8.319 1.00 0.00 C ATOM 230 OD1 ASN A 15 11.312 6.064 -9.138 1.00 0.00 O ATOM 231 ND2 ASN A 15 10.938 6.923 -7.105 1.00 0.00 N ATOM 0 H ASN A 15 6.566 6.432 -9.392 1.00 0.00 H new ATOM 0 HA ASN A 15 9.226 5.902 -10.590 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.001 7.863 -9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.483 6.770 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.908 6.783 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.272 7.337 -6.453 1.00 0.00 H new ATOM 238 N SER A 16 8.651 3.477 -10.089 1.00 0.00 N ATOM 239 CA SER A 16 8.554 2.065 -9.734 1.00 0.00 C ATOM 240 C SER A 16 9.636 1.657 -8.739 1.00 0.00 C ATOM 241 O SER A 16 9.460 0.716 -7.966 1.00 0.00 O ATOM 242 CB SER A 16 8.657 1.215 -10.989 1.00 0.00 C ATOM 243 OG SER A 16 7.724 1.649 -11.968 1.00 0.00 O ATOM 0 H SER A 16 8.831 3.646 -11.079 1.00 0.00 H new ATOM 0 HA SER A 16 7.588 1.904 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.668 1.274 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.473 0.169 -10.742 1.00 0.00 H new ATOM 0 HG SER A 16 7.807 1.091 -12.769 1.00 0.00 H new ATOM 249 N SER A 17 10.758 2.356 -8.781 1.00 0.00 N ATOM 250 CA SER A 17 11.815 2.160 -7.806 1.00 0.00 C ATOM 251 C SER A 17 11.864 3.373 -6.878 1.00 0.00 C ATOM 252 O SER A 17 12.657 4.297 -7.077 1.00 0.00 O ATOM 253 CB SER A 17 13.152 1.955 -8.522 1.00 0.00 C ATOM 254 OG SER A 17 14.185 1.616 -7.613 1.00 0.00 O ATOM 0 H SER A 17 10.960 3.067 -9.484 1.00 0.00 H new ATOM 0 HA SER A 17 11.616 1.269 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.049 1.166 -9.267 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.422 2.865 -9.057 1.00 0.00 H new ATOM 0 HG SER A 17 15.024 1.491 -8.103 1.00 0.00 H new ATOM 260 N PRO A 18 10.994 3.388 -5.857 1.00 0.00 N ATOM 261 CA PRO A 18 10.798 4.542 -4.988 1.00 0.00 C ATOM 262 C PRO A 18 11.892 4.673 -3.939 1.00 0.00 C ATOM 263 O PRO A 18 12.442 3.676 -3.472 1.00 0.00 O ATOM 264 CB PRO A 18 9.444 4.259 -4.312 1.00 0.00 C ATOM 265 CG PRO A 18 8.932 2.990 -4.923 1.00 0.00 C ATOM 266 CD PRO A 18 10.134 2.276 -5.450 1.00 0.00 C ATOM 0 HA PRO A 18 10.825 5.477 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.561 4.153 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.747 5.080 -4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.410 2.383 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.221 3.200 -5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.605 1.653 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.887 1.624 -6.288 1.00 0.00 H new ATOM 274 N SER A 19 12.207 5.907 -3.571 1.00 0.00 N ATOM 275 CA SER A 19 13.182 6.147 -2.527 1.00 0.00 C ATOM 276 C SER A 19 12.464 6.306 -1.198 1.00 0.00 C ATOM 277 O SER A 19 11.278 6.644 -1.162 1.00 0.00 O ATOM 278 CB SER A 19 14.015 7.397 -2.836 1.00 0.00 C ATOM 279 OG SER A 19 13.219 8.573 -2.820 1.00 0.00 O ATOM 0 H SER A 19 11.802 6.750 -3.979 1.00 0.00 H new ATOM 0 HA SER A 19 13.862 5.297 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.817 7.490 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.486 7.289 -3.813 1.00 0.00 H new ATOM 0 HG SER A 19 12.602 8.561 -3.581 1.00 0.00 H new ATOM 285 N ALA A 20 13.179 6.062 -0.111 1.00 0.00 N ATOM 286 CA ALA A 20 12.608 6.151 1.223 1.00 0.00 C ATOM 287 C ALA A 20 12.113 7.561 1.525 1.00 0.00 C ATOM 288 O ALA A 20 11.217 7.749 2.344 1.00 0.00 O ATOM 289 CB ALA A 20 13.637 5.722 2.252 1.00 0.00 C ATOM 0 H ALA A 20 14.164 5.799 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 20 11.749 5.482 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.204 5.791 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.939 4.693 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.508 6.374 2.189 1.00 0.00 H new ATOM 295 N LYS A 21 12.697 8.547 0.859 1.00 0.00 N ATOM 296 CA LYS A 21 12.295 9.939 1.036 1.00 0.00 C ATOM 297 C LYS A 21 10.877 10.139 0.531 1.00 0.00 C ATOM 298 O LYS A 21 10.041 10.766 1.200 1.00 0.00 O ATOM 299 CB LYS A 21 13.256 10.860 0.294 1.00 0.00 C ATOM 300 CG LYS A 21 14.722 10.587 0.610 1.00 0.00 C ATOM 301 CD LYS A 21 15.052 10.866 2.072 1.00 0.00 C ATOM 302 CE LYS A 21 15.482 12.307 2.300 1.00 0.00 C ATOM 303 NZ LYS A 21 14.439 13.292 1.907 1.00 0.00 N ATOM 0 H LYS A 21 13.453 8.410 0.189 1.00 0.00 H new ATOM 0 HA LYS A 21 12.326 10.185 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.097 10.751 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.024 11.895 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.956 9.548 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.352 11.206 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.179 10.647 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.848 10.196 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.727 12.445 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.392 12.503 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.653 14.214 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.425 13.388 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.509 12.963 2.237 1.00 0.00 H new ATOM 317 N ASP A 22 10.611 9.578 -0.644 1.00 0.00 N ATOM 318 CA ASP A 22 9.269 9.591 -1.209 1.00 0.00 C ATOM 319 C ASP A 22 8.320 8.984 -0.196 1.00 0.00 C ATOM 320 O ASP A 22 7.310 9.580 0.162 1.00 0.00 O ATOM 321 CB ASP A 22 9.187 8.780 -2.513 1.00 0.00 C ATOM 322 CG ASP A 22 10.138 9.254 -3.596 1.00 0.00 C ATOM 323 OD1 ASP A 22 10.980 8.446 -4.048 1.00 0.00 O ATOM 324 OD2 ASP A 22 10.057 10.431 -3.999 1.00 0.00 O ATOM 0 H ASP A 22 11.308 9.109 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 22 9.003 10.623 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.397 7.734 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.167 8.826 -2.894 1.00 0.00 H new ATOM 329 N ILE A 23 8.701 7.804 0.286 1.00 0.00 N ATOM 330 CA ILE A 23 7.931 7.069 1.279 1.00 0.00 C ATOM 331 C ILE A 23 7.575 7.958 2.457 1.00 0.00 C ATOM 332 O ILE A 23 6.408 8.049 2.841 1.00 0.00 O ATOM 333 CB ILE A 23 8.720 5.852 1.798 1.00 0.00 C ATOM 334 CG1 ILE A 23 9.232 5.025 0.625 1.00 0.00 C ATOM 335 CG2 ILE A 23 7.862 5.002 2.726 1.00 0.00 C ATOM 336 CD1 ILE A 23 8.149 4.507 -0.280 1.00 0.00 C ATOM 0 H ILE A 23 9.557 7.331 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 23 7.018 6.729 0.791 1.00 0.00 H new ATOM 0 HB ILE A 23 9.574 6.211 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.921 5.633 0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.803 4.180 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.442 4.149 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.544 5.602 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.985 4.646 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.596 3.929 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.472 3.870 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.592 5.346 -0.698 1.00 0.00 H new ATOM 348 N LYS A 24 8.588 8.622 3.007 1.00 0.00 N ATOM 349 CA LYS A 24 8.401 9.511 4.144 1.00 0.00 C ATOM 350 C LYS A 24 7.312 10.529 3.863 1.00 0.00 C ATOM 351 O LYS A 24 6.396 10.704 4.665 1.00 0.00 O ATOM 352 CB LYS A 24 9.694 10.259 4.482 1.00 0.00 C ATOM 353 CG LYS A 24 10.850 9.367 4.891 1.00 0.00 C ATOM 354 CD LYS A 24 12.024 10.195 5.381 1.00 0.00 C ATOM 355 CE LYS A 24 13.269 9.350 5.572 1.00 0.00 C ATOM 356 NZ LYS A 24 14.361 10.117 6.227 1.00 0.00 N ATOM 0 H LYS A 24 9.552 8.559 2.679 1.00 0.00 H new ATOM 0 HA LYS A 24 8.112 8.888 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.995 10.847 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.491 10.962 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.528 8.684 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.160 8.755 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.231 10.991 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.762 10.675 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.026 8.476 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.612 8.984 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.270 9.642 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.394 11.079 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.184 10.168 7.251 1.00 0.00 H new ATOM 370 N LYS A 25 7.400 11.187 2.714 1.00 0.00 N ATOM 371 CA LYS A 25 6.470 12.249 2.392 1.00 0.00 C ATOM 372 C LYS A 25 5.047 11.727 2.199 1.00 0.00 C ATOM 373 O LYS A 25 4.072 12.390 2.575 1.00 0.00 O ATOM 374 CB LYS A 25 6.942 13.003 1.163 1.00 0.00 C ATOM 375 CG LYS A 25 8.288 13.672 1.354 1.00 0.00 C ATOM 376 CD LYS A 25 8.405 14.300 2.725 1.00 0.00 C ATOM 377 CE LYS A 25 7.383 15.399 2.957 1.00 0.00 C ATOM 378 NZ LYS A 25 7.355 15.813 4.384 1.00 0.00 N ATOM 0 H LYS A 25 8.102 11.002 1.998 1.00 0.00 H new ATOM 0 HA LYS A 25 6.444 12.935 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.003 12.312 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.201 13.759 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.083 12.938 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.427 14.436 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.281 13.528 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.407 14.710 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.621 16.259 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.395 15.050 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.442 16.264 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.478 14.977 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.125 16.488 4.565 1.00 0.00 H new ATOM 392 N ILE A 26 4.922 10.538 1.627 1.00 0.00 N ATOM 393 CA ILE A 26 3.614 9.937 1.424 1.00 0.00 C ATOM 394 C ILE A 26 3.000 9.553 2.770 1.00 0.00 C ATOM 395 O ILE A 26 1.798 9.711 2.991 1.00 0.00 O ATOM 396 CB ILE A 26 3.689 8.708 0.508 1.00 0.00 C ATOM 397 CG1 ILE A 26 4.624 8.971 -0.668 1.00 0.00 C ATOM 398 CG2 ILE A 26 2.302 8.391 -0.014 1.00 0.00 C ATOM 399 CD1 ILE A 26 4.969 7.726 -1.441 1.00 0.00 C ATOM 0 H ILE A 26 5.706 9.974 1.297 1.00 0.00 H new ATOM 0 HA ILE A 26 2.981 10.676 0.934 1.00 0.00 H new ATOM 0 HB ILE A 26 4.076 7.865 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.158 9.691 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.542 9.428 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.349 7.518 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.637 8.183 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.921 9.244 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.637 7.982 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.463 7.013 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.057 7.280 -1.839 1.00 0.00 H new ATOM 411 N LEU A 27 3.845 9.067 3.671 1.00 0.00 N ATOM 412 CA LEU A 27 3.447 8.821 5.055 1.00 0.00 C ATOM 413 C LEU A 27 3.034 10.129 5.721 1.00 0.00 C ATOM 414 O LEU A 27 2.041 10.175 6.442 1.00 0.00 O ATOM 415 CB LEU A 27 4.600 8.160 5.822 1.00 0.00 C ATOM 416 CG LEU A 27 4.993 6.775 5.316 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.447 6.496 5.635 1.00 0.00 C ATOM 418 CD2 LEU A 27 4.118 5.700 5.929 1.00 0.00 C ATOM 0 H LEU A 27 4.817 8.834 3.468 1.00 0.00 H new ATOM 0 HA LEU A 27 2.592 8.145 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.473 8.811 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.321 8.082 6.873 1.00 0.00 H new ATOM 0 HG LEU A 27 4.850 6.759 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.716 5.505 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.076 7.244 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.597 6.538 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.421 4.724 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.226 5.718 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.077 5.884 5.665 1.00 0.00 H new ATOM 430 N ASP A 28 3.781 11.198 5.455 1.00 0.00 N ATOM 431 CA ASP A 28 3.449 12.524 5.979 1.00 0.00 C ATOM 432 C ASP A 28 2.046 12.949 5.557 1.00 0.00 C ATOM 433 O ASP A 28 1.315 13.552 6.342 1.00 0.00 O ATOM 434 CB ASP A 28 4.455 13.583 5.510 1.00 0.00 C ATOM 435 CG ASP A 28 5.744 13.577 6.305 1.00 0.00 C ATOM 436 OD1 ASP A 28 6.827 13.503 5.688 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.683 13.674 7.548 1.00 0.00 O ATOM 0 H ASP A 28 4.622 11.173 4.879 1.00 0.00 H new ATOM 0 HA ASP A 28 3.492 12.451 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.684 13.416 4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.995 14.569 5.583 1.00 0.00 H new ATOM 442 N SER A 29 1.678 12.620 4.319 1.00 0.00 N ATOM 443 CA SER A 29 0.376 12.997 3.773 1.00 0.00 C ATOM 444 C SER A 29 -0.776 12.405 4.592 1.00 0.00 C ATOM 445 O SER A 29 -1.819 13.040 4.763 1.00 0.00 O ATOM 446 CB SER A 29 0.273 12.542 2.311 1.00 0.00 C ATOM 447 OG SER A 29 -0.953 12.946 1.722 1.00 0.00 O ATOM 0 H SER A 29 2.266 12.092 3.674 1.00 0.00 H new ATOM 0 HA SER A 29 0.293 14.083 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.105 12.956 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.361 11.457 2.260 1.00 0.00 H new ATOM 0 HG SER A 29 -1.057 12.510 0.850 1.00 0.00 H new ATOM 453 N VAL A 30 -0.586 11.193 5.102 1.00 0.00 N ATOM 454 CA VAL A 30 -1.640 10.507 5.846 1.00 0.00 C ATOM 455 C VAL A 30 -1.396 10.547 7.354 1.00 0.00 C ATOM 456 O VAL A 30 -2.261 10.165 8.143 1.00 0.00 O ATOM 457 CB VAL A 30 -1.791 9.046 5.380 1.00 0.00 C ATOM 458 CG1 VAL A 30 -2.397 8.999 3.993 1.00 0.00 C ATOM 459 CG2 VAL A 30 -0.447 8.347 5.382 1.00 0.00 C ATOM 0 H VAL A 30 0.283 10.666 5.015 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.567 11.042 5.639 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.454 8.529 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.498 7.961 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.379 9.471 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.750 9.531 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.572 7.316 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.234 8.865 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.034 8.356 6.391 1.00 0.00 H new ATOM 469 N GLY A 31 -0.218 11.009 7.748 1.00 0.00 N ATOM 470 CA GLY A 31 0.082 11.169 9.158 1.00 0.00 C ATOM 471 C GLY A 31 0.832 9.988 9.745 1.00 0.00 C ATOM 472 O GLY A 31 0.568 9.578 10.877 1.00 0.00 O ATOM 0 H GLY A 31 0.537 11.276 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.675 12.073 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.849 11.310 9.708 1.00 0.00 H new ATOM 476 N ILE A 32 1.761 9.435 8.978 1.00 0.00 N ATOM 477 CA ILE A 32 2.598 8.343 9.449 1.00 0.00 C ATOM 478 C ILE A 32 4.061 8.791 9.451 1.00 0.00 C ATOM 479 O ILE A 32 4.454 9.639 8.649 1.00 0.00 O ATOM 480 CB ILE A 32 2.444 7.107 8.544 1.00 0.00 C ATOM 481 CG1 ILE A 32 0.982 6.832 8.242 1.00 0.00 C ATOM 482 CG2 ILE A 32 3.077 5.878 9.176 1.00 0.00 C ATOM 483 CD1 ILE A 32 0.817 5.840 7.125 1.00 0.00 C ATOM 0 H ILE A 32 1.954 9.728 8.020 1.00 0.00 H new ATOM 0 HA ILE A 32 2.287 8.076 10.459 1.00 0.00 H new ATOM 0 HB ILE A 32 2.962 7.324 7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.491 6.454 9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.485 7.765 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.951 5.022 8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.140 6.059 9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.594 5.671 10.131 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.244 5.672 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.285 6.229 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.291 4.898 7.402 1.00 0.00 H new ATOM 495 N GLU A 33 4.854 8.250 10.365 1.00 0.00 N ATOM 496 CA GLU A 33 6.266 8.565 10.429 1.00 0.00 C ATOM 497 C GLU A 33 7.080 7.437 9.806 1.00 0.00 C ATOM 498 O GLU A 33 6.552 6.349 9.557 1.00 0.00 O ATOM 499 CB GLU A 33 6.722 8.791 11.875 1.00 0.00 C ATOM 500 CG GLU A 33 5.990 9.914 12.602 1.00 0.00 C ATOM 501 CD GLU A 33 4.587 9.527 13.024 1.00 0.00 C ATOM 502 OE1 GLU A 33 4.442 8.555 13.793 1.00 0.00 O ATOM 503 OE2 GLU A 33 3.626 10.195 12.598 1.00 0.00 O ATOM 0 H GLU A 33 4.537 7.588 11.074 1.00 0.00 H new ATOM 0 HA GLU A 33 6.429 9.487 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.587 7.865 12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.790 9.011 11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.562 10.203 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.941 10.788 11.953 1.00 0.00 H new ATOM 510 N ALA A 34 8.360 7.683 9.563 1.00 0.00 N ATOM 511 CA ALA A 34 9.217 6.671 8.974 1.00 0.00 C ATOM 512 C ALA A 34 10.596 6.653 9.609 1.00 0.00 C ATOM 513 O ALA A 34 11.221 7.694 9.813 1.00 0.00 O ATOM 514 CB ALA A 34 9.331 6.872 7.469 1.00 0.00 C ATOM 0 H ALA A 34 8.823 8.569 9.764 1.00 0.00 H new ATOM 0 HA ALA A 34 8.753 5.704 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.978 6.103 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.342 6.802 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.755 7.855 7.264 1.00 0.00 H new ATOM 520 N ASP A 35 11.049 5.452 9.929 1.00 0.00 N ATOM 521 CA ASP A 35 12.386 5.234 10.443 1.00 0.00 C ATOM 522 C ASP A 35 13.287 4.795 9.298 1.00 0.00 C ATOM 523 O ASP A 35 13.093 3.717 8.739 1.00 0.00 O ATOM 524 CB ASP A 35 12.370 4.170 11.545 1.00 0.00 C ATOM 525 CG ASP A 35 11.483 4.552 12.714 1.00 0.00 C ATOM 526 OD1 ASP A 35 10.296 4.151 12.730 1.00 0.00 O ATOM 527 OD2 ASP A 35 11.967 5.250 13.630 1.00 0.00 O ATOM 0 H ASP A 35 10.496 4.600 9.838 1.00 0.00 H new ATOM 0 HA ASP A 35 12.765 6.160 10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.025 3.224 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.387 4.008 11.903 1.00 0.00 H new ATOM 532 N ASP A 36 14.257 5.641 8.961 1.00 0.00 N ATOM 533 CA ASP A 36 15.102 5.472 7.770 1.00 0.00 C ATOM 534 C ASP A 36 15.556 4.034 7.552 1.00 0.00 C ATOM 535 O ASP A 36 15.281 3.442 6.508 1.00 0.00 O ATOM 536 CB ASP A 36 16.334 6.370 7.864 1.00 0.00 C ATOM 537 CG ASP A 36 16.037 7.812 7.518 1.00 0.00 C ATOM 538 OD1 ASP A 36 16.241 8.198 6.350 1.00 0.00 O ATOM 539 OD2 ASP A 36 15.593 8.572 8.406 1.00 0.00 O ATOM 0 H ASP A 36 14.485 6.471 9.508 1.00 0.00 H new ATOM 0 HA ASP A 36 14.483 5.754 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.738 6.320 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.105 5.992 7.193 1.00 0.00 H new ATOM 544 N ASP A 37 16.249 3.482 8.537 1.00 0.00 N ATOM 545 CA ASP A 37 16.836 2.153 8.412 1.00 0.00 C ATOM 546 C ASP A 37 15.770 1.093 8.177 1.00 0.00 C ATOM 547 O ASP A 37 15.840 0.352 7.198 1.00 0.00 O ATOM 548 CB ASP A 37 17.663 1.814 9.651 1.00 0.00 C ATOM 549 CG ASP A 37 18.812 2.780 9.846 1.00 0.00 C ATOM 550 OD1 ASP A 37 19.898 2.544 9.271 1.00 0.00 O ATOM 551 OD2 ASP A 37 18.630 3.783 10.567 1.00 0.00 O ATOM 0 H ASP A 37 16.420 3.934 9.435 1.00 0.00 H new ATOM 0 HA ASP A 37 17.494 2.161 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.021 1.831 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.053 0.800 9.561 1.00 0.00 H new ATOM 556 N ARG A 38 14.780 1.033 9.064 1.00 0.00 N ATOM 557 CA ARG A 38 13.680 0.089 8.932 1.00 0.00 C ATOM 558 C ARG A 38 12.996 0.241 7.580 1.00 0.00 C ATOM 559 O ARG A 38 12.675 -0.742 6.916 1.00 0.00 O ATOM 560 CB ARG A 38 12.663 0.318 10.047 1.00 0.00 C ATOM 561 CG ARG A 38 11.407 -0.514 9.888 1.00 0.00 C ATOM 562 CD ARG A 38 11.664 -1.984 10.151 1.00 0.00 C ATOM 563 NE ARG A 38 12.048 -2.221 11.540 1.00 0.00 N ATOM 564 CZ ARG A 38 12.512 -3.379 12.006 1.00 0.00 C ATOM 565 NH1 ARG A 38 12.654 -4.424 11.195 1.00 0.00 N ATOM 566 NH2 ARG A 38 12.828 -3.488 13.289 1.00 0.00 N ATOM 0 H ARG A 38 14.720 1.633 9.887 1.00 0.00 H new ATOM 0 HA ARG A 38 14.084 -0.921 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.126 0.086 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.392 1.373 10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.642 -0.151 10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.015 -0.389 8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.768 -2.558 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.453 -2.341 9.489 1.00 0.00 H new ATOM 0 HE ARG A 38 11.954 -1.447 12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.407 -4.342 10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.010 -5.308 11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.715 -2.688 13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.184 -4.372 13.653 1.00 0.00 H new ATOM 580 N LEU A 39 12.782 1.485 7.188 1.00 0.00 N ATOM 581 CA LEU A 39 12.140 1.808 5.926 1.00 0.00 C ATOM 582 C LEU A 39 12.912 1.218 4.752 1.00 0.00 C ATOM 583 O LEU A 39 12.348 0.471 3.950 1.00 0.00 O ATOM 584 CB LEU A 39 12.013 3.331 5.816 1.00 0.00 C ATOM 585 CG LEU A 39 11.648 3.902 4.446 1.00 0.00 C ATOM 586 CD1 LEU A 39 10.521 3.116 3.802 1.00 0.00 C ATOM 587 CD2 LEU A 39 11.256 5.362 4.598 1.00 0.00 C ATOM 0 H LEU A 39 13.049 2.302 7.738 1.00 0.00 H new ATOM 0 HA LEU A 39 11.144 1.366 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.259 3.660 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.960 3.773 6.125 1.00 0.00 H new ATOM 0 HG LEU A 39 12.517 3.823 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.286 3.548 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.828 2.078 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.638 3.157 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.995 5.772 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.398 5.441 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.093 5.922 5.015 1.00 0.00 H new ATOM 599 N ASN A 40 14.195 1.533 4.666 1.00 0.00 N ATOM 600 CA ASN A 40 15.039 0.995 3.605 1.00 0.00 C ATOM 601 C ASN A 40 15.036 -0.530 3.651 1.00 0.00 C ATOM 602 O ASN A 40 15.100 -1.185 2.616 1.00 0.00 O ATOM 603 CB ASN A 40 16.476 1.506 3.739 1.00 0.00 C ATOM 604 CG ASN A 40 16.611 2.993 3.458 1.00 0.00 C ATOM 605 OD1 ASN A 40 15.925 3.541 2.598 1.00 0.00 O ATOM 606 ND2 ASN A 40 17.495 3.653 4.190 1.00 0.00 N ATOM 0 H ASN A 40 14.676 2.156 5.315 1.00 0.00 H new ATOM 0 HA ASN A 40 14.634 1.331 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.836 1.299 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.117 0.953 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.627 4.655 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.044 3.160 4.894 1.00 0.00 H new ATOM 613 N LYS A 41 14.954 -1.090 4.857 1.00 0.00 N ATOM 614 CA LYS A 41 14.905 -2.540 5.029 1.00 0.00 C ATOM 615 C LYS A 41 13.632 -3.119 4.432 1.00 0.00 C ATOM 616 O LYS A 41 13.696 -4.034 3.617 1.00 0.00 O ATOM 617 CB LYS A 41 15.008 -2.930 6.508 1.00 0.00 C ATOM 618 CG LYS A 41 16.361 -2.617 7.128 1.00 0.00 C ATOM 619 CD LYS A 41 17.486 -3.323 6.391 1.00 0.00 C ATOM 620 CE LYS A 41 18.848 -2.916 6.929 1.00 0.00 C ATOM 621 NZ LYS A 41 19.956 -3.592 6.203 1.00 0.00 N ATOM 0 H LYS A 41 14.920 -0.561 5.729 1.00 0.00 H new ATOM 0 HA LYS A 41 15.762 -2.956 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.232 -2.408 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.810 -3.997 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.531 -1.541 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.362 -2.922 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.364 -4.402 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.429 -3.089 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.964 -1.836 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.907 -3.160 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.868 -3.288 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.860 -4.623 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.916 -3.339 5.195 1.00 0.00 H new ATOM 635 N VAL A 42 12.486 -2.580 4.831 1.00 0.00 N ATOM 636 CA VAL A 42 11.201 -3.030 4.310 1.00 0.00 C ATOM 637 C VAL A 42 11.166 -2.907 2.788 1.00 0.00 C ATOM 638 O VAL A 42 10.728 -3.816 2.080 1.00 0.00 O ATOM 639 CB VAL A 42 10.047 -2.214 4.921 1.00 0.00 C ATOM 640 CG1 VAL A 42 8.720 -2.640 4.323 1.00 0.00 C ATOM 641 CG2 VAL A 42 10.028 -2.371 6.435 1.00 0.00 C ATOM 0 H VAL A 42 12.421 -1.828 5.517 1.00 0.00 H new ATOM 0 HA VAL A 42 11.077 -4.077 4.586 1.00 0.00 H new ATOM 0 HB VAL A 42 10.206 -1.161 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.916 -2.053 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.737 -2.476 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.552 -3.698 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.206 -1.788 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.893 -3.422 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.971 -2.016 6.850 1.00 0.00 H new ATOM 651 N ILE A 43 11.654 -1.778 2.303 1.00 0.00 N ATOM 652 CA ILE A 43 11.782 -1.525 0.884 1.00 0.00 C ATOM 653 C ILE A 43 12.673 -2.562 0.216 1.00 0.00 C ATOM 654 O ILE A 43 12.339 -3.114 -0.828 1.00 0.00 O ATOM 655 CB ILE A 43 12.352 -0.138 0.683 1.00 0.00 C ATOM 656 CG1 ILE A 43 11.263 0.850 1.089 1.00 0.00 C ATOM 657 CG2 ILE A 43 12.807 0.070 -0.753 1.00 0.00 C ATOM 658 CD1 ILE A 43 11.288 2.101 0.290 1.00 0.00 C ATOM 0 H ILE A 43 11.974 -1.008 2.890 1.00 0.00 H new ATOM 0 HA ILE A 43 10.797 -1.593 0.423 1.00 0.00 H new ATOM 0 HB ILE A 43 13.241 0.011 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.289 0.374 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.379 1.097 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 43 13.211 1.076 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.578 -0.660 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.959 -0.057 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.490 2.763 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.250 2.597 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.142 1.863 -0.764 1.00 0.00 H new ATOM 670 N SER A 44 13.799 -2.827 0.851 1.00 0.00 N ATOM 671 CA SER A 44 14.767 -3.783 0.348 1.00 0.00 C ATOM 672 C SER A 44 14.193 -5.201 0.350 1.00 0.00 C ATOM 673 O SER A 44 14.523 -6.013 -0.519 1.00 0.00 O ATOM 674 CB SER A 44 16.037 -3.711 1.193 1.00 0.00 C ATOM 675 OG SER A 44 17.056 -4.551 0.676 1.00 0.00 O ATOM 0 H SER A 44 14.068 -2.386 1.730 1.00 0.00 H new ATOM 0 HA SER A 44 15.009 -3.530 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.395 -2.682 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.810 -4.003 2.218 1.00 0.00 H new ATOM 0 HG SER A 44 17.855 -4.480 1.239 1.00 0.00 H new ATOM 681 N GLU A 45 13.338 -5.496 1.327 1.00 0.00 N ATOM 682 CA GLU A 45 12.671 -6.789 1.393 1.00 0.00 C ATOM 683 C GLU A 45 11.696 -6.927 0.231 1.00 0.00 C ATOM 684 O GLU A 45 11.641 -7.965 -0.424 1.00 0.00 O ATOM 685 CB GLU A 45 11.943 -6.962 2.733 1.00 0.00 C ATOM 686 CG GLU A 45 12.879 -6.976 3.932 1.00 0.00 C ATOM 687 CD GLU A 45 12.162 -7.213 5.247 1.00 0.00 C ATOM 688 OE1 GLU A 45 12.073 -8.382 5.678 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.695 -6.236 5.869 1.00 0.00 O ATOM 0 H GLU A 45 13.093 -4.856 2.082 1.00 0.00 H new ATOM 0 HA GLU A 45 13.424 -7.574 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.222 -6.153 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.377 -7.893 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.630 -7.753 3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.410 -6.025 3.981 1.00 0.00 H new ATOM 696 N LEU A 46 10.940 -5.864 -0.021 1.00 0.00 N ATOM 697 CA LEU A 46 10.035 -5.814 -1.164 1.00 0.00 C ATOM 698 C LEU A 46 10.797 -5.921 -2.482 1.00 0.00 C ATOM 699 O LEU A 46 10.373 -6.613 -3.403 1.00 0.00 O ATOM 700 CB LEU A 46 9.238 -4.516 -1.143 1.00 0.00 C ATOM 701 CG LEU A 46 8.107 -4.476 -0.125 1.00 0.00 C ATOM 702 CD1 LEU A 46 7.622 -3.060 0.055 1.00 0.00 C ATOM 703 CD2 LEU A 46 6.961 -5.370 -0.565 1.00 0.00 C ATOM 0 H LEU A 46 10.936 -5.021 0.554 1.00 0.00 H new ATOM 0 HA LEU A 46 9.357 -6.664 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.920 -3.691 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.820 -4.347 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 46 8.486 -4.844 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.813 -3.043 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.443 -2.436 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.259 -2.676 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.162 -5.328 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.582 -5.028 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.316 -6.396 -0.659 1.00 0.00 H new ATOM 715 N ASN A 47 11.926 -5.229 -2.558 1.00 0.00 N ATOM 716 CA ASN A 47 12.753 -5.205 -3.766 1.00 0.00 C ATOM 717 C ASN A 47 13.395 -6.570 -4.020 1.00 0.00 C ATOM 718 O ASN A 47 13.755 -6.904 -5.150 1.00 0.00 O ATOM 719 CB ASN A 47 13.831 -4.120 -3.627 1.00 0.00 C ATOM 720 CG ASN A 47 14.694 -3.950 -4.869 1.00 0.00 C ATOM 721 OD1 ASN A 47 14.340 -3.214 -5.790 1.00 0.00 O ATOM 722 ND2 ASN A 47 15.855 -4.591 -4.883 1.00 0.00 N ATOM 0 H ASN A 47 12.297 -4.669 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 47 12.118 -4.974 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.349 -3.169 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.473 -4.365 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.488 -4.482 -5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.115 -5.193 -4.101 1.00 0.00 H new ATOM 729 N GLY A 48 13.521 -7.362 -2.963 1.00 0.00 N ATOM 730 CA GLY A 48 14.136 -8.669 -3.081 1.00 0.00 C ATOM 731 C GLY A 48 13.117 -9.792 -3.137 1.00 0.00 C ATOM 732 O GLY A 48 13.483 -10.968 -3.158 1.00 0.00 O ATOM 0 H GLY A 48 13.207 -7.121 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.751 -8.697 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.802 -8.830 -2.234 1.00 0.00 H new ATOM 736 N LYS A 49 11.842 -9.426 -3.163 1.00 0.00 N ATOM 737 CA LYS A 49 10.748 -10.392 -3.225 1.00 0.00 C ATOM 738 C LYS A 49 9.644 -9.849 -4.121 1.00 0.00 C ATOM 739 O LYS A 49 9.871 -8.931 -4.906 1.00 0.00 O ATOM 740 CB LYS A 49 10.180 -10.663 -1.820 1.00 0.00 C ATOM 741 CG LYS A 49 11.186 -11.264 -0.847 1.00 0.00 C ATOM 742 CD LYS A 49 10.559 -11.499 0.514 1.00 0.00 C ATOM 743 CE LYS A 49 11.586 -11.935 1.548 1.00 0.00 C ATOM 744 NZ LYS A 49 12.116 -13.297 1.279 1.00 0.00 N ATOM 0 H LYS A 49 11.535 -8.453 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 49 11.132 -11.328 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.804 -9.728 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.328 -11.338 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.562 -12.207 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.042 -10.596 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.071 -10.584 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.784 -12.261 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.411 -11.223 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.132 -11.914 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.812 -13.549 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.334 -13.983 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.573 -13.313 0.345 1.00 0.00 H new ATOM 758 N ASN A 50 8.460 -10.428 -4.024 1.00 0.00 N ATOM 759 CA ASN A 50 7.288 -9.830 -4.642 1.00 0.00 C ATOM 760 C ASN A 50 6.573 -9.001 -3.592 1.00 0.00 C ATOM 761 O ASN A 50 6.582 -9.374 -2.414 1.00 0.00 O ATOM 762 CB ASN A 50 6.325 -10.887 -5.205 1.00 0.00 C ATOM 763 CG ASN A 50 6.996 -11.875 -6.141 1.00 0.00 C ATOM 764 OD1 ASN A 50 7.158 -11.619 -7.335 1.00 0.00 O ATOM 765 ND2 ASN A 50 7.348 -13.036 -5.613 1.00 0.00 N ATOM 0 H ASN A 50 8.284 -11.302 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 50 7.614 -9.213 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.871 -11.432 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.517 -10.385 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.770 -13.756 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.198 -13.211 -4.619 1.00 0.00 H new ATOM 772 N ILE A 51 5.980 -7.881 -3.985 1.00 0.00 N ATOM 773 CA ILE A 51 5.296 -7.023 -3.024 1.00 0.00 C ATOM 774 C ILE A 51 4.261 -7.821 -2.246 1.00 0.00 C ATOM 775 O ILE A 51 4.264 -7.813 -1.018 1.00 0.00 O ATOM 776 CB ILE A 51 4.633 -5.797 -3.688 1.00 0.00 C ATOM 777 CG1 ILE A 51 5.611 -4.622 -3.821 1.00 0.00 C ATOM 778 CG2 ILE A 51 3.419 -5.337 -2.905 1.00 0.00 C ATOM 779 CD1 ILE A 51 6.975 -4.983 -4.367 1.00 0.00 C ATOM 0 H ILE A 51 5.958 -7.548 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 51 6.056 -6.645 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 51 4.325 -6.116 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.164 -3.869 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.739 -4.163 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.974 -4.472 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.688 -6.144 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.720 -5.063 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.593 -4.087 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.450 -5.710 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.866 -5.412 -5.363 1.00 0.00 H new ATOM 791 N GLU A 52 3.424 -8.553 -2.973 1.00 0.00 N ATOM 792 CA GLU A 52 2.317 -9.298 -2.387 1.00 0.00 C ATOM 793 C GLU A 52 2.801 -10.248 -1.292 1.00 0.00 C ATOM 794 O GLU A 52 2.143 -10.408 -0.263 1.00 0.00 O ATOM 795 CB GLU A 52 1.592 -10.115 -3.459 1.00 0.00 C ATOM 796 CG GLU A 52 1.265 -9.343 -4.726 1.00 0.00 C ATOM 797 CD GLU A 52 2.353 -9.454 -5.775 1.00 0.00 C ATOM 798 OE1 GLU A 52 3.434 -8.872 -5.579 1.00 0.00 O ATOM 799 OE2 GLU A 52 2.120 -10.126 -6.802 1.00 0.00 O ATOM 0 H GLU A 52 3.494 -8.646 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 52 1.635 -8.569 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.209 -10.975 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.666 -10.504 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.327 -9.713 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.111 -8.293 -4.477 1.00 0.00 H new ATOM 806 N ASP A 53 3.948 -10.880 -1.521 1.00 0.00 N ATOM 807 CA ASP A 53 4.519 -11.801 -0.546 1.00 0.00 C ATOM 808 C ASP A 53 4.923 -11.054 0.708 1.00 0.00 C ATOM 809 O ASP A 53 4.508 -11.403 1.811 1.00 0.00 O ATOM 810 CB ASP A 53 5.739 -12.533 -1.111 1.00 0.00 C ATOM 811 CG ASP A 53 5.372 -13.603 -2.114 1.00 0.00 C ATOM 812 OD1 ASP A 53 5.877 -13.558 -3.252 1.00 0.00 O ATOM 813 OD2 ASP A 53 4.582 -14.499 -1.765 1.00 0.00 O ATOM 0 H ASP A 53 4.499 -10.771 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 53 3.753 -12.538 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.402 -11.810 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.296 -12.987 -0.291 1.00 0.00 H new ATOM 818 N VAL A 54 5.722 -10.013 0.526 1.00 0.00 N ATOM 819 CA VAL A 54 6.175 -9.191 1.636 1.00 0.00 C ATOM 820 C VAL A 54 4.982 -8.525 2.328 1.00 0.00 C ATOM 821 O VAL A 54 5.009 -8.268 3.528 1.00 0.00 O ATOM 822 CB VAL A 54 7.204 -8.146 1.154 1.00 0.00 C ATOM 823 CG1 VAL A 54 7.543 -7.148 2.248 1.00 0.00 C ATOM 824 CG2 VAL A 54 8.462 -8.841 0.680 1.00 0.00 C ATOM 0 H VAL A 54 6.071 -9.717 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 54 6.671 -9.830 2.366 1.00 0.00 H new ATOM 0 HB VAL A 54 6.758 -7.595 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.270 -6.428 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.638 -6.623 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.964 -7.675 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.183 -8.097 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.891 -9.416 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.219 -9.512 -0.144 1.00 0.00 H new ATOM 834 N ILE A 55 3.932 -8.266 1.561 1.00 0.00 N ATOM 835 CA ILE A 55 2.663 -7.820 2.106 1.00 0.00 C ATOM 836 C ILE A 55 2.064 -8.853 3.041 1.00 0.00 C ATOM 837 O ILE A 55 1.876 -8.605 4.228 1.00 0.00 O ATOM 838 CB ILE A 55 1.645 -7.560 0.981 1.00 0.00 C ATOM 839 CG1 ILE A 55 2.062 -6.319 0.194 1.00 0.00 C ATOM 840 CG2 ILE A 55 0.248 -7.411 1.574 1.00 0.00 C ATOM 841 CD1 ILE A 55 1.460 -5.054 0.717 1.00 0.00 C ATOM 0 H ILE A 55 3.939 -8.360 0.545 1.00 0.00 H new ATOM 0 HA ILE A 55 2.867 -6.901 2.655 1.00 0.00 H new ATOM 0 HB ILE A 55 1.624 -8.405 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.148 -6.232 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.774 -6.446 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.469 -7.227 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.023 -8.326 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.236 -6.573 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.798 -4.213 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.373 -5.121 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.769 -4.904 1.751 1.00 0.00 H new ATOM 853 N ALA A 56 1.794 -10.019 2.493 1.00 0.00 N ATOM 854 CA ALA A 56 1.039 -11.032 3.196 1.00 0.00 C ATOM 855 C ALA A 56 1.850 -11.643 4.335 1.00 0.00 C ATOM 856 O ALA A 56 1.311 -12.330 5.201 1.00 0.00 O ATOM 857 CB ALA A 56 0.561 -12.069 2.198 1.00 0.00 C ATOM 0 H ALA A 56 2.089 -10.289 1.555 1.00 0.00 H new ATOM 0 HA ALA A 56 0.166 -10.579 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.010 -12.838 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.072 -11.590 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.421 -12.525 1.707 1.00 0.00 H new ATOM 863 N GLN A 57 3.148 -11.386 4.325 1.00 0.00 N ATOM 864 CA GLN A 57 4.014 -11.761 5.435 1.00 0.00 C ATOM 865 C GLN A 57 4.248 -10.578 6.376 1.00 0.00 C ATOM 866 O GLN A 57 4.476 -10.757 7.572 1.00 0.00 O ATOM 867 CB GLN A 57 5.357 -12.268 4.906 1.00 0.00 C ATOM 868 CG GLN A 57 5.232 -13.506 4.033 1.00 0.00 C ATOM 869 CD GLN A 57 4.626 -14.688 4.766 1.00 0.00 C ATOM 870 OE1 GLN A 57 4.912 -14.807 6.052 1.00 0.00 O flip ATOM 871 NE2 GLN A 57 3.921 -15.502 4.171 1.00 0.00 N flip ATOM 0 H GLN A 57 3.628 -10.917 3.557 1.00 0.00 H new ATOM 0 HA GLN A 57 3.519 -12.555 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.836 -11.475 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.011 -12.491 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.618 -13.271 3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.218 -13.783 3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.723 -15.376 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.535 -16.303 4.670 1.00 0.00 H new ATOM 880 N GLY A 58 4.178 -9.368 5.832 1.00 0.00 N ATOM 881 CA GLY A 58 4.541 -8.181 6.585 1.00 0.00 C ATOM 882 C GLY A 58 3.376 -7.530 7.308 1.00 0.00 C ATOM 883 O GLY A 58 3.564 -6.943 8.373 1.00 0.00 O ATOM 0 H GLY A 58 3.874 -9.187 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.306 -8.446 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.986 -7.454 5.906 1.00 0.00 H new ATOM 887 N ILE A 59 2.184 -7.599 6.728 1.00 0.00 N ATOM 888 CA ILE A 59 0.997 -7.055 7.382 1.00 0.00 C ATOM 889 C ILE A 59 0.543 -8.004 8.489 1.00 0.00 C ATOM 890 O ILE A 59 0.471 -7.613 9.655 1.00 0.00 O ATOM 891 CB ILE A 59 -0.174 -6.780 6.389 1.00 0.00 C ATOM 892 CG1 ILE A 59 0.071 -5.503 5.569 1.00 0.00 C ATOM 893 CG2 ILE A 59 -1.489 -6.649 7.140 1.00 0.00 C ATOM 894 CD1 ILE A 59 1.237 -5.569 4.610 1.00 0.00 C ATOM 0 H ILE A 59 2.013 -8.021 5.816 1.00 0.00 H new ATOM 0 HA ILE A 59 1.275 -6.090 7.806 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.225 -7.627 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.832 -5.275 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.234 -4.674 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.295 -6.457 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.693 -7.573 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.423 -5.822 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.326 -4.621 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.155 -5.762 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.072 -6.372 3.892 1.00 0.00 H new ATOM 1060 N ARG B 2 -3.952 -0.233 -7.383 1.00 0.00 N ATOM 1061 CA ARG B 2 -3.986 1.223 -7.444 1.00 0.00 C ATOM 1062 C ARG B 2 -4.334 1.802 -6.077 1.00 0.00 C ATOM 1063 O ARG B 2 -3.559 2.551 -5.491 1.00 0.00 O ATOM 1064 CB ARG B 2 -5.003 1.721 -8.486 1.00 0.00 C ATOM 1065 CG ARG B 2 -4.688 1.311 -9.918 1.00 0.00 C ATOM 1066 CD ARG B 2 -5.706 1.863 -10.906 1.00 0.00 C ATOM 1067 NE ARG B 2 -5.558 3.306 -11.123 1.00 0.00 N ATOM 1068 CZ ARG B 2 -6.516 4.087 -11.635 1.00 0.00 C ATOM 1069 NH1 ARG B 2 -7.704 3.572 -11.941 1.00 0.00 N ATOM 1070 NH2 ARG B 2 -6.287 5.379 -11.843 1.00 0.00 N ATOM 0 HA ARG B 2 -2.994 1.562 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -5.991 1.343 -8.222 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.054 2.809 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.693 1.666 -10.186 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -4.668 0.223 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.601 1.344 -11.859 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.711 1.656 -10.540 1.00 0.00 H new ATOM 0 HE ARG B 2 -4.671 3.740 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.885 2.580 -11.785 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -8.433 4.169 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -5.378 5.779 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.020 5.971 -12.234 1.00 0.00 H new ATOM 1084 N TYR B 3 -5.490 1.415 -5.558 1.00 0.00 N ATOM 1085 CA TYR B 3 -6.056 2.070 -4.383 1.00 0.00 C ATOM 1086 C TYR B 3 -5.637 1.427 -3.075 1.00 0.00 C ATOM 1087 O TYR B 3 -5.711 2.063 -2.032 1.00 0.00 O ATOM 1088 CB TYR B 3 -7.571 2.066 -4.492 1.00 0.00 C ATOM 1089 CG TYR B 3 -8.027 2.572 -5.825 1.00 0.00 C ATOM 1090 CD1 TYR B 3 -8.888 1.834 -6.622 1.00 0.00 C ATOM 1091 CD2 TYR B 3 -7.561 3.783 -6.304 1.00 0.00 C ATOM 1092 CE1 TYR B 3 -9.270 2.298 -7.858 1.00 0.00 C ATOM 1093 CE2 TYR B 3 -7.938 4.253 -7.530 1.00 0.00 C ATOM 1094 CZ TYR B 3 -8.794 3.508 -8.310 1.00 0.00 C ATOM 1095 OH TYR B 3 -9.176 3.973 -9.544 1.00 0.00 O ATOM 0 H TYR B 3 -6.055 0.652 -5.930 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.668 3.089 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -7.945 1.054 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -7.995 2.686 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -9.262 0.885 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.886 4.368 -5.697 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -9.941 1.716 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.567 5.203 -7.885 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.951 3.463 -9.860 1.00 0.00 H new ATOM 1105 N VAL B 4 -5.205 0.178 -3.122 1.00 0.00 N ATOM 1106 CA VAL B 4 -4.834 -0.530 -1.902 1.00 0.00 C ATOM 1107 C VAL B 4 -3.647 0.139 -1.218 1.00 0.00 C ATOM 1108 O VAL B 4 -3.566 0.175 0.004 1.00 0.00 O ATOM 1109 CB VAL B 4 -4.521 -2.014 -2.174 1.00 0.00 C ATOM 1110 CG1 VAL B 4 -4.101 -2.724 -0.907 1.00 0.00 C ATOM 1111 CG2 VAL B 4 -5.735 -2.696 -2.753 1.00 0.00 C ATOM 0 H VAL B 4 -5.102 -0.364 -3.980 1.00 0.00 H new ATOM 0 HA VAL B 4 -5.694 -0.484 -1.234 1.00 0.00 H new ATOM 0 HB VAL B 4 -3.697 -2.061 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL B 4 -3.887 -3.769 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL B 4 -3.207 -2.248 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL B 4 -4.906 -2.667 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL B 4 -5.507 -3.745 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL B 4 -6.563 -2.627 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL B 4 -6.014 -2.210 -3.688 1.00 0.00 H new ATOM 1121 N ALA B 5 -2.753 0.698 -2.014 1.00 0.00 N ATOM 1122 CA ALA B 5 -1.593 1.406 -1.493 1.00 0.00 C ATOM 1123 C ALA B 5 -2.017 2.552 -0.573 1.00 0.00 C ATOM 1124 O ALA B 5 -1.610 2.631 0.594 1.00 0.00 O ATOM 1125 CB ALA B 5 -0.784 1.938 -2.656 1.00 0.00 C ATOM 0 H ALA B 5 -2.808 0.676 -3.032 1.00 0.00 H new ATOM 0 HA ALA B 5 -0.988 0.717 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA B 5 0.089 2.471 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -0.459 1.108 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -1.398 2.619 -3.245 1.00 0.00 H new ATOM 1131 N SER B 6 -2.863 3.422 -1.105 1.00 0.00 N ATOM 1132 CA SER B 6 -3.378 4.554 -0.362 1.00 0.00 C ATOM 1133 C SER B 6 -4.349 4.096 0.718 1.00 0.00 C ATOM 1134 O SER B 6 -4.399 4.674 1.803 1.00 0.00 O ATOM 1135 CB SER B 6 -4.051 5.518 -1.331 1.00 0.00 C ATOM 1136 OG SER B 6 -4.616 4.806 -2.418 1.00 0.00 O ATOM 0 H SER B 6 -3.209 3.360 -2.063 1.00 0.00 H new ATOM 0 HA SER B 6 -2.555 5.065 0.138 1.00 0.00 H new ATOM 0 HB2 SER B 6 -4.827 6.082 -0.814 1.00 0.00 H new ATOM 0 HB3 SER B 6 -3.324 6.241 -1.700 1.00 0.00 H new ATOM 0 HG SER B 6 -5.021 3.976 -2.090 1.00 0.00 H new ATOM 1142 N TYR B 7 -5.115 3.051 0.415 1.00 0.00 N ATOM 1143 CA TYR B 7 -6.021 2.455 1.387 1.00 0.00 C ATOM 1144 C TYR B 7 -5.238 2.038 2.634 1.00 0.00 C ATOM 1145 O TYR B 7 -5.627 2.355 3.765 1.00 0.00 O ATOM 1146 CB TYR B 7 -6.756 1.252 0.767 1.00 0.00 C ATOM 1147 CG TYR B 7 -7.559 0.444 1.755 1.00 0.00 C ATOM 1148 CD1 TYR B 7 -8.873 0.781 2.043 1.00 0.00 C ATOM 1149 CD2 TYR B 7 -7.003 -0.651 2.396 1.00 0.00 C ATOM 1150 CE1 TYR B 7 -9.615 0.047 2.948 1.00 0.00 C ATOM 1151 CE2 TYR B 7 -7.739 -1.393 3.303 1.00 0.00 C ATOM 1152 CZ TYR B 7 -9.044 -1.039 3.578 1.00 0.00 C ATOM 1153 OH TYR B 7 -9.781 -1.772 4.482 1.00 0.00 O ATOM 0 H TYR B 7 -5.124 2.600 -0.500 1.00 0.00 H new ATOM 0 HA TYR B 7 -6.771 3.191 1.678 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -7.422 1.612 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -6.025 0.600 0.290 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -9.323 1.631 1.552 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -5.981 -0.929 2.185 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -10.637 0.322 3.161 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -7.294 -2.246 3.794 1.00 0.00 H new ATOM 0 HH TYR B 7 -10.729 -1.738 4.235 1.00 0.00 H new ATOM 1163 N LEU B 8 -4.116 1.351 2.417 1.00 0.00 N ATOM 1164 CA LEU B 8 -3.258 0.937 3.517 1.00 0.00 C ATOM 1165 C LEU B 8 -2.759 2.149 4.291 1.00 0.00 C ATOM 1166 O LEU B 8 -2.985 2.247 5.497 1.00 0.00 O ATOM 1167 CB LEU B 8 -2.058 0.113 3.030 1.00 0.00 C ATOM 1168 CG LEU B 8 -2.223 -1.398 3.133 1.00 0.00 C ATOM 1169 CD1 LEU B 8 -3.292 -1.870 2.180 1.00 0.00 C ATOM 1170 CD2 LEU B 8 -0.903 -2.095 2.849 1.00 0.00 C ATOM 0 H LEU B 8 -3.785 1.073 1.493 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.860 0.307 4.171 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.859 0.370 1.990 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.179 0.406 3.604 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.530 -1.650 4.148 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -3.401 -2.951 2.262 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.239 -1.390 2.428 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.010 -1.610 1.160 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.037 -3.174 2.926 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.567 -1.842 1.843 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -0.156 -1.769 3.573 1.00 0.00 H new ATOM 1182 N LEU B 9 -2.084 3.070 3.593 1.00 0.00 N ATOM 1183 CA LEU B 9 -1.584 4.300 4.225 1.00 0.00 C ATOM 1184 C LEU B 9 -2.646 4.968 5.094 1.00 0.00 C ATOM 1185 O LEU B 9 -2.387 5.308 6.249 1.00 0.00 O ATOM 1186 CB LEU B 9 -1.121 5.310 3.177 1.00 0.00 C ATOM 1187 CG LEU B 9 0.314 5.155 2.685 1.00 0.00 C ATOM 1188 CD1 LEU B 9 0.617 6.222 1.672 1.00 0.00 C ATOM 1189 CD2 LEU B 9 1.297 5.259 3.830 1.00 0.00 C ATOM 0 H LEU B 9 -1.872 2.990 2.599 1.00 0.00 H new ATOM 0 HA LEU B 9 -0.744 3.999 4.851 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.788 5.243 2.317 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.235 6.312 3.591 1.00 0.00 H new ATOM 0 HG LEU B 9 0.414 4.169 2.231 1.00 0.00 H new ATOM 0 HD11 LEU B 9 1.643 6.110 1.321 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -0.067 6.128 0.829 1.00 0.00 H new ATOM 0 HD13 LEU B 9 0.495 7.204 2.130 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.312 5.145 3.450 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.196 6.233 4.309 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.092 4.474 4.558 1.00 0.00 H new ATOM 1201 N ALA B 10 -3.835 5.157 4.536 1.00 0.00 N ATOM 1202 CA ALA B 10 -4.918 5.811 5.253 1.00 0.00 C ATOM 1203 C ALA B 10 -5.274 5.041 6.521 1.00 0.00 C ATOM 1204 O ALA B 10 -5.540 5.639 7.568 1.00 0.00 O ATOM 1205 CB ALA B 10 -6.139 5.950 4.358 1.00 0.00 C ATOM 0 H ALA B 10 -4.072 4.866 3.588 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.581 6.807 5.542 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.940 6.441 4.910 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.882 6.546 3.483 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -6.471 4.962 4.039 1.00 0.00 H new ATOM 1211 N ALA B 11 -5.253 3.711 6.426 1.00 0.00 N ATOM 1212 CA ALA B 11 -5.556 2.853 7.564 1.00 0.00 C ATOM 1213 C ALA B 11 -4.522 3.023 8.673 1.00 0.00 C ATOM 1214 O ALA B 11 -4.851 2.981 9.861 1.00 0.00 O ATOM 1215 CB ALA B 11 -5.612 1.395 7.126 1.00 0.00 C ATOM 0 H ALA B 11 -5.028 3.207 5.568 1.00 0.00 H new ATOM 0 HA ALA B 11 -6.530 3.148 7.956 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.839 0.765 7.986 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.388 1.272 6.371 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.649 1.104 6.707 1.00 0.00 H new ATOM 1221 N LEU B 12 -3.271 3.213 8.274 1.00 0.00 N ATOM 1222 CA LEU B 12 -2.165 3.320 9.224 1.00 0.00 C ATOM 1223 C LEU B 12 -2.082 4.731 9.794 1.00 0.00 C ATOM 1224 O LEU B 12 -1.564 4.939 10.890 1.00 0.00 O ATOM 1225 CB LEU B 12 -0.841 2.960 8.540 1.00 0.00 C ATOM 1226 CG LEU B 12 -0.953 1.886 7.456 1.00 0.00 C ATOM 1227 CD1 LEU B 12 0.389 1.621 6.804 1.00 0.00 C ATOM 1228 CD2 LEU B 12 -1.549 0.603 8.012 1.00 0.00 C ATOM 0 H LEU B 12 -2.994 3.297 7.296 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.348 2.621 10.040 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.420 3.862 8.096 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.137 2.619 9.299 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.628 2.264 6.688 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.276 0.853 6.038 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.759 2.539 6.346 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.099 1.280 7.558 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.616 -0.141 7.218 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.914 0.224 8.812 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.545 0.805 8.405 1.00 0.00 H new ATOM 1240 N GLY B 13 -2.607 5.692 9.042 1.00 0.00 N ATOM 1241 CA GLY B 13 -2.548 7.082 9.453 1.00 0.00 C ATOM 1242 C GLY B 13 -3.418 7.377 10.658 1.00 0.00 C ATOM 1243 O GLY B 13 -3.203 8.366 11.359 1.00 0.00 O ATOM 0 H GLY B 13 -3.075 5.531 8.150 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.515 7.344 9.684 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.860 7.715 8.622 1.00 0.00 H new ATOM 1247 N GLY B 14 -4.401 6.524 10.903 1.00 0.00 N ATOM 1248 CA GLY B 14 -5.273 6.720 12.042 1.00 0.00 C ATOM 1249 C GLY B 14 -6.716 6.409 11.719 1.00 0.00 C ATOM 1250 O GLY B 14 -7.540 6.239 12.618 1.00 0.00 O ATOM 0 H GLY B 14 -4.610 5.702 10.336 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -4.942 6.085 12.864 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.194 7.752 12.384 1.00 0.00 H new ATOM 1254 N ASN B 15 -7.027 6.335 10.435 1.00 0.00 N ATOM 1255 CA ASN B 15 -8.373 6.005 9.999 1.00 0.00 C ATOM 1256 C ASN B 15 -8.393 4.596 9.423 1.00 0.00 C ATOM 1257 O ASN B 15 -8.230 4.405 8.220 1.00 0.00 O ATOM 1258 CB ASN B 15 -8.866 7.023 8.963 1.00 0.00 C ATOM 1259 CG ASN B 15 -10.327 6.825 8.598 1.00 0.00 C ATOM 1260 OD1 ASN B 15 -11.117 6.329 9.401 1.00 0.00 O ATOM 1261 ND2 ASN B 15 -10.700 7.236 7.394 1.00 0.00 N ATOM 0 H ASN B 15 -6.365 6.499 9.677 1.00 0.00 H new ATOM 0 HA ASN B 15 -9.046 6.044 10.856 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -8.727 8.031 9.355 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -8.257 6.944 8.063 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -11.674 7.146 7.103 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.013 7.642 6.758 1.00 0.00 H new ATOM 1268 N SER B 16 -8.578 3.614 10.299 1.00 0.00 N ATOM 1269 CA SER B 16 -8.541 2.207 9.910 1.00 0.00 C ATOM 1270 C SER B 16 -9.635 1.873 8.901 1.00 0.00 C ATOM 1271 O SER B 16 -9.492 0.946 8.102 1.00 0.00 O ATOM 1272 CB SER B 16 -8.686 1.333 11.141 1.00 0.00 C ATOM 1273 OG SER B 16 -7.750 1.712 12.140 1.00 0.00 O ATOM 0 H SER B 16 -8.757 3.768 11.291 1.00 0.00 H new ATOM 0 HA SER B 16 -7.580 2.014 9.433 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.699 1.416 11.535 1.00 0.00 H new ATOM 0 HB3 SER B 16 -8.534 0.288 10.871 1.00 0.00 H new ATOM 0 HG SER B 16 -7.861 1.138 12.926 1.00 0.00 H new ATOM 1279 N SER B 17 -10.728 2.617 8.958 1.00 0.00 N ATOM 1280 CA SER B 17 -11.787 2.491 7.975 1.00 0.00 C ATOM 1281 C SER B 17 -11.779 3.725 7.073 1.00 0.00 C ATOM 1282 O SER B 17 -12.543 4.669 7.279 1.00 0.00 O ATOM 1283 CB SER B 17 -13.137 2.328 8.680 1.00 0.00 C ATOM 1284 OG SER B 17 -14.176 2.044 7.756 1.00 0.00 O ATOM 0 H SER B 17 -10.903 3.317 9.679 1.00 0.00 H new ATOM 0 HA SER B 17 -11.623 1.606 7.360 1.00 0.00 H new ATOM 0 HB2 SER B 17 -13.071 1.524 9.413 1.00 0.00 H new ATOM 0 HB3 SER B 17 -13.375 3.240 9.228 1.00 0.00 H new ATOM 0 HG SER B 17 -15.024 1.944 8.237 1.00 0.00 H new ATOM 1290 N PRO B 18 -10.901 3.729 6.058 1.00 0.00 N ATOM 1291 CA PRO B 18 -10.651 4.896 5.217 1.00 0.00 C ATOM 1292 C PRO B 18 -11.735 5.100 4.171 1.00 0.00 C ATOM 1293 O PRO B 18 -12.334 4.140 3.684 1.00 0.00 O ATOM 1294 CB PRO B 18 -9.308 4.571 4.538 1.00 0.00 C ATOM 1295 CG PRO B 18 -8.855 3.265 5.117 1.00 0.00 C ATOM 1296 CD PRO B 18 -10.087 2.592 5.629 1.00 0.00 C ATOM 0 HA PRO B 18 -10.638 5.818 5.799 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -9.425 4.498 3.457 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.576 5.356 4.727 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.362 2.653 4.362 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.135 3.423 5.920 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -10.582 2.005 4.856 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -9.868 1.913 6.453 1.00 0.00 H new ATOM 1304 N SER B 19 -11.995 6.352 3.832 1.00 0.00 N ATOM 1305 CA SER B 19 -12.956 6.660 2.793 1.00 0.00 C ATOM 1306 C SER B 19 -12.228 6.810 1.467 1.00 0.00 C ATOM 1307 O SER B 19 -11.027 7.084 1.441 1.00 0.00 O ATOM 1308 CB SER B 19 -13.728 7.939 3.127 1.00 0.00 C ATOM 1309 OG SER B 19 -12.881 9.077 3.117 1.00 0.00 O ATOM 0 H SER B 19 -11.555 7.166 4.261 1.00 0.00 H new ATOM 0 HA SER B 19 -13.677 5.845 2.722 1.00 0.00 H new ATOM 0 HB2 SER B 19 -14.533 8.078 2.406 1.00 0.00 H new ATOM 0 HB3 SER B 19 -14.192 7.839 4.108 1.00 0.00 H new ATOM 0 HG SER B 19 -12.264 9.032 3.877 1.00 0.00 H new ATOM 1315 N ALA B 20 -12.955 6.633 0.376 1.00 0.00 N ATOM 1316 CA ALA B 20 -12.376 6.727 -0.955 1.00 0.00 C ATOM 1317 C ALA B 20 -11.813 8.121 -1.222 1.00 0.00 C ATOM 1318 O ALA B 20 -10.906 8.287 -2.032 1.00 0.00 O ATOM 1319 CB ALA B 20 -13.418 6.371 -1.999 1.00 0.00 C ATOM 0 H ALA B 20 -13.953 6.422 0.386 1.00 0.00 H new ATOM 0 HA ALA B 20 -11.550 6.019 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -12.977 6.444 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -13.768 5.353 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -14.259 7.061 -1.924 1.00 0.00 H new ATOM 1325 N LYS B 21 -12.354 9.118 -0.535 1.00 0.00 N ATOM 1326 CA LYS B 21 -11.888 10.493 -0.678 1.00 0.00 C ATOM 1327 C LYS B 21 -10.462 10.619 -0.164 1.00 0.00 C ATOM 1328 O LYS B 21 -9.596 11.221 -0.818 1.00 0.00 O ATOM 1329 CB LYS B 21 -12.810 11.436 0.082 1.00 0.00 C ATOM 1330 CG LYS B 21 -14.282 11.236 -0.246 1.00 0.00 C ATOM 1331 CD LYS B 21 -14.599 11.566 -1.698 1.00 0.00 C ATOM 1332 CE LYS B 21 -14.958 13.031 -1.887 1.00 0.00 C ATOM 1333 NZ LYS B 21 -13.863 13.953 -1.481 1.00 0.00 N ATOM 0 H LYS B 21 -13.119 9.001 0.130 1.00 0.00 H new ATOM 0 HA LYS B 21 -11.902 10.764 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -12.661 11.293 1.152 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -12.532 12.465 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -14.561 10.202 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -14.887 11.865 0.408 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -13.739 11.321 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -15.427 10.944 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -15.205 13.207 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -15.852 13.259 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -14.060 14.907 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -13.802 13.984 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -12.961 13.613 -1.871 1.00 0.00 H new ATOM 1347 N ASP B 22 -10.224 10.019 0.998 1.00 0.00 N ATOM 1348 CA ASP B 22 -8.885 9.958 1.564 1.00 0.00 C ATOM 1349 C ASP B 22 -7.961 9.335 0.539 1.00 0.00 C ATOM 1350 O ASP B 22 -6.929 9.899 0.190 1.00 0.00 O ATOM 1351 CB ASP B 22 -8.847 9.118 2.853 1.00 0.00 C ATOM 1352 CG ASP B 22 -9.775 9.625 3.941 1.00 0.00 C ATOM 1353 OD1 ASP B 22 -10.664 8.858 4.376 1.00 0.00 O ATOM 1354 OD2 ASP B 22 -9.630 10.789 4.366 1.00 0.00 O ATOM 0 H ASP B 22 -10.943 9.569 1.565 1.00 0.00 H new ATOM 0 HA ASP B 22 -8.569 10.970 1.817 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -9.112 8.088 2.613 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -7.827 9.103 3.236 1.00 0.00 H new ATOM 1359 N ILE B 23 -8.391 8.183 0.028 1.00 0.00 N ATOM 1360 CA ILE B 23 -7.650 7.440 -0.979 1.00 0.00 C ATOM 1361 C ILE B 23 -7.252 8.339 -2.136 1.00 0.00 C ATOM 1362 O ILE B 23 -6.084 8.387 -2.519 1.00 0.00 O ATOM 1363 CB ILE B 23 -8.491 6.272 -1.527 1.00 0.00 C ATOM 1364 CG1 ILE B 23 -9.046 5.439 -0.375 1.00 0.00 C ATOM 1365 CG2 ILE B 23 -7.675 5.405 -2.474 1.00 0.00 C ATOM 1366 CD1 ILE B 23 -7.992 4.852 0.522 1.00 0.00 C ATOM 0 H ILE B 23 -9.267 7.740 0.305 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.753 7.050 -0.498 1.00 0.00 H new ATOM 0 HB ILE B 23 -9.325 6.687 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.710 6.063 0.223 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.651 4.630 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.295 4.589 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -7.329 6.009 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -6.815 4.996 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.469 4.275 1.314 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -7.341 4.200 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.401 5.655 0.963 1.00 0.00 H new ATOM 1378 N LYS B 24 -8.235 9.062 -2.671 1.00 0.00 N ATOM 1379 CA LYS B 24 -8.009 9.970 -3.789 1.00 0.00 C ATOM 1380 C LYS B 24 -6.876 10.931 -3.484 1.00 0.00 C ATOM 1381 O LYS B 24 -5.955 11.087 -4.283 1.00 0.00 O ATOM 1382 CB LYS B 24 -9.268 10.781 -4.107 1.00 0.00 C ATOM 1383 CG LYS B 24 -10.462 9.954 -4.539 1.00 0.00 C ATOM 1384 CD LYS B 24 -11.595 10.848 -5.009 1.00 0.00 C ATOM 1385 CE LYS B 24 -12.877 10.065 -5.221 1.00 0.00 C ATOM 1386 NZ LYS B 24 -13.927 10.891 -5.871 1.00 0.00 N ATOM 0 H LYS B 24 -9.201 9.034 -2.344 1.00 0.00 H new ATOM 0 HA LYS B 24 -7.748 9.357 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.544 11.359 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -9.034 11.496 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.170 9.277 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.801 9.335 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.766 11.635 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.310 11.338 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.671 9.189 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.243 9.701 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.860 10.465 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.907 11.852 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.750 10.935 -6.895 1.00 0.00 H new ATOM 1400 N LYS B 25 -6.936 11.562 -2.317 1.00 0.00 N ATOM 1401 CA LYS B 25 -5.963 12.576 -1.963 1.00 0.00 C ATOM 1402 C LYS B 25 -4.564 11.988 -1.779 1.00 0.00 C ATOM 1403 O LYS B 25 -3.561 12.612 -2.142 1.00 0.00 O ATOM 1404 CB LYS B 25 -6.405 13.316 -0.716 1.00 0.00 C ATOM 1405 CG LYS B 25 -7.719 14.048 -0.893 1.00 0.00 C ATOM 1406 CD LYS B 25 -7.803 14.712 -2.248 1.00 0.00 C ATOM 1407 CE LYS B 25 -6.728 15.768 -2.455 1.00 0.00 C ATOM 1408 NZ LYS B 25 -6.679 16.207 -3.872 1.00 0.00 N ATOM 0 H LYS B 25 -7.646 11.387 -1.606 1.00 0.00 H new ATOM 0 HA LYS B 25 -5.906 13.283 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.499 12.606 0.106 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.633 14.031 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.546 13.347 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -7.827 14.799 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -7.715 13.953 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -8.785 15.172 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -6.927 16.625 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -5.758 15.367 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.730 16.572 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -6.891 15.400 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -7.382 16.957 -4.028 1.00 0.00 H new ATOM 1422 N ILE B 26 -4.496 10.780 -1.236 1.00 0.00 N ATOM 1423 CA ILE B 26 -3.217 10.117 -1.044 1.00 0.00 C ATOM 1424 C ILE B 26 -2.615 9.739 -2.397 1.00 0.00 C ATOM 1425 O ILE B 26 -1.406 9.843 -2.608 1.00 0.00 O ATOM 1426 CB ILE B 26 -3.350 8.870 -0.161 1.00 0.00 C ATOM 1427 CG1 ILE B 26 -4.274 9.142 1.020 1.00 0.00 C ATOM 1428 CG2 ILE B 26 -1.978 8.482 0.353 1.00 0.00 C ATOM 1429 CD1 ILE B 26 -4.673 7.894 1.761 1.00 0.00 C ATOM 0 H ILE B 26 -5.306 10.244 -0.923 1.00 0.00 H new ATOM 0 HA ILE B 26 -2.554 10.816 -0.533 1.00 0.00 H new ATOM 0 HB ILE B 26 -3.775 8.060 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -3.779 9.824 1.711 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -5.171 9.647 0.662 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -2.062 7.596 0.982 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -1.321 8.267 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -1.563 9.303 0.937 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -5.330 8.157 2.590 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -5.196 7.220 1.083 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -3.782 7.400 2.148 1.00 0.00 H new ATOM 1441 N LEU B 27 -3.476 9.312 -3.312 1.00 0.00 N ATOM 1442 CA LEU B 27 -3.088 9.080 -4.701 1.00 0.00 C ATOM 1443 C LEU B 27 -2.615 10.383 -5.335 1.00 0.00 C ATOM 1444 O LEU B 27 -1.622 10.400 -6.055 1.00 0.00 O ATOM 1445 CB LEU B 27 -4.266 8.490 -5.485 1.00 0.00 C ATOM 1446 CG LEU B 27 -4.725 7.112 -5.015 1.00 0.00 C ATOM 1447 CD1 LEU B 27 -6.187 6.904 -5.350 1.00 0.00 C ATOM 1448 CD2 LEU B 27 -3.893 6.018 -5.651 1.00 0.00 C ATOM 0 H LEU B 27 -4.458 9.117 -3.116 1.00 0.00 H new ATOM 0 HA LEU B 27 -2.265 8.365 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.108 9.179 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.987 8.425 -6.537 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.594 7.063 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.502 5.917 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.786 7.667 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.327 6.977 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.240 5.046 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.993 6.069 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -2.847 6.150 -5.376 1.00 0.00 H new ATOM 1460 N ASP B 28 -3.312 11.477 -5.042 1.00 0.00 N ATOM 1461 CA ASP B 28 -2.917 12.800 -5.534 1.00 0.00 C ATOM 1462 C ASP B 28 -1.500 13.151 -5.096 1.00 0.00 C ATOM 1463 O ASP B 28 -0.738 13.747 -5.858 1.00 0.00 O ATOM 1464 CB ASP B 28 -3.875 13.889 -5.040 1.00 0.00 C ATOM 1465 CG ASP B 28 -5.162 13.964 -5.835 1.00 0.00 C ATOM 1466 OD1 ASP B 28 -6.248 13.904 -5.224 1.00 0.00 O ATOM 1467 OD2 ASP B 28 -5.097 14.107 -7.068 1.00 0.00 O ATOM 0 H ASP B 28 -4.154 11.477 -4.466 1.00 0.00 H new ATOM 0 HA ASP B 28 -2.957 12.756 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -4.114 13.704 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -3.371 14.854 -5.087 1.00 0.00 H new ATOM 1472 N SER B 29 -1.152 12.774 -3.868 1.00 0.00 N ATOM 1473 CA SER B 29 0.162 13.080 -3.309 1.00 0.00 C ATOM 1474 C SER B 29 1.288 12.459 -4.143 1.00 0.00 C ATOM 1475 O SER B 29 2.352 13.059 -4.306 1.00 0.00 O ATOM 1476 CB SER B 29 0.238 12.586 -1.861 1.00 0.00 C ATOM 1477 OG SER B 29 1.485 12.905 -1.270 1.00 0.00 O ATOM 0 H SER B 29 -1.764 12.254 -3.239 1.00 0.00 H new ATOM 0 HA SER B 29 0.295 14.162 -3.330 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.567 13.035 -1.279 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.087 11.507 -1.835 1.00 0.00 H new ATOM 0 HG SER B 29 1.566 12.444 -0.409 1.00 0.00 H new ATOM 1483 N VAL B 30 1.046 11.270 -4.682 1.00 0.00 N ATOM 1484 CA VAL B 30 2.073 10.555 -5.438 1.00 0.00 C ATOM 1485 C VAL B 30 1.836 10.645 -6.943 1.00 0.00 C ATOM 1486 O VAL B 30 2.688 10.242 -7.738 1.00 0.00 O ATOM 1487 CB VAL B 30 2.154 9.076 -5.012 1.00 0.00 C ATOM 1488 CG1 VAL B 30 2.752 8.967 -3.627 1.00 0.00 C ATOM 1489 CG2 VAL B 30 0.780 8.439 -5.039 1.00 0.00 C ATOM 0 H VAL B 30 0.154 10.781 -4.612 1.00 0.00 H new ATOM 0 HA VAL B 30 3.022 11.040 -5.211 1.00 0.00 H new ATOM 0 HB VAL B 30 2.794 8.546 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL B 30 2.805 7.918 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL B 30 3.755 9.394 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL B 30 2.128 9.510 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.857 7.395 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.120 8.969 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.373 8.494 -6.049 1.00 0.00 H new ATOM 1499 N GLY B 31 0.680 11.168 -7.328 1.00 0.00 N ATOM 1500 CA GLY B 31 0.391 11.378 -8.732 1.00 0.00 C ATOM 1501 C GLY B 31 -0.402 10.245 -9.351 1.00 0.00 C ATOM 1502 O GLY B 31 -0.137 9.847 -10.484 1.00 0.00 O ATOM 0 H GLY B 31 -0.065 11.451 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.165 12.308 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.328 11.497 -9.276 1.00 0.00 H new ATOM 1506 N ILE B 32 -1.362 9.715 -8.605 1.00 0.00 N ATOM 1507 CA ILE B 32 -2.245 8.671 -9.108 1.00 0.00 C ATOM 1508 C ILE B 32 -3.686 9.177 -9.103 1.00 0.00 C ATOM 1509 O ILE B 32 -4.045 10.022 -8.284 1.00 0.00 O ATOM 1510 CB ILE B 32 -2.151 7.408 -8.233 1.00 0.00 C ATOM 1511 CG1 ILE B 32 -0.706 7.057 -7.935 1.00 0.00 C ATOM 1512 CG2 ILE B 32 -2.836 6.224 -8.893 1.00 0.00 C ATOM 1513 CD1 ILE B 32 -0.589 6.034 -6.839 1.00 0.00 C ATOM 0 H ILE B 32 -1.550 9.994 -7.642 1.00 0.00 H new ATOM 0 HA ILE B 32 -1.939 8.419 -10.123 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.663 7.629 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.232 6.675 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -0.166 7.959 -7.648 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -2.751 5.349 -8.249 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.889 6.456 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.360 6.016 -9.852 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.463 5.813 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -1.039 6.425 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.106 5.122 -7.136 1.00 0.00 H new ATOM 1525 N GLU B 33 -4.501 8.695 -10.032 1.00 0.00 N ATOM 1526 CA GLU B 33 -5.896 9.075 -10.086 1.00 0.00 C ATOM 1527 C GLU B 33 -6.764 7.975 -9.492 1.00 0.00 C ATOM 1528 O GLU B 33 -6.287 6.864 -9.256 1.00 0.00 O ATOM 1529 CB GLU B 33 -6.341 9.367 -11.524 1.00 0.00 C ATOM 1530 CG GLU B 33 -5.559 10.473 -12.212 1.00 0.00 C ATOM 1531 CD GLU B 33 -4.182 10.026 -12.642 1.00 0.00 C ATOM 1532 OE1 GLU B 33 -4.092 9.086 -13.458 1.00 0.00 O ATOM 1533 OE2 GLU B 33 -3.185 10.613 -12.175 1.00 0.00 O ATOM 0 H GLU B 33 -4.214 8.039 -10.758 1.00 0.00 H new ATOM 0 HA GLU B 33 -6.015 9.987 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -6.249 8.454 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -7.397 9.636 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.114 10.818 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.467 11.323 -11.536 1.00 0.00 H new ATOM 1540 N ALA B 34 -8.032 8.276 -9.251 1.00 0.00 N ATOM 1541 CA ALA B 34 -8.937 7.286 -8.691 1.00 0.00 C ATOM 1542 C ALA B 34 -10.313 7.340 -9.333 1.00 0.00 C ATOM 1543 O ALA B 34 -10.892 8.410 -9.515 1.00 0.00 O ATOM 1544 CB ALA B 34 -9.046 7.453 -7.181 1.00 0.00 C ATOM 0 H ALA B 34 -8.453 9.187 -9.432 1.00 0.00 H new ATOM 0 HA ALA B 34 -8.516 6.305 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -9.728 6.703 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -8.062 7.327 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -9.426 8.448 -6.952 1.00 0.00 H new ATOM 1550 N ASP B 35 -10.817 6.167 -9.682 1.00 0.00 N ATOM 1551 CA ASP B 35 -12.162 6.022 -10.205 1.00 0.00 C ATOM 1552 C ASP B 35 -13.082 5.595 -9.072 1.00 0.00 C ATOM 1553 O ASP B 35 -12.937 4.495 -8.541 1.00 0.00 O ATOM 1554 CB ASP B 35 -12.191 4.984 -11.333 1.00 0.00 C ATOM 1555 CG ASP B 35 -11.282 5.348 -12.491 1.00 0.00 C ATOM 1556 OD1 ASP B 35 -10.109 4.911 -12.501 1.00 0.00 O ATOM 1557 OD2 ASP B 35 -11.733 6.075 -13.400 1.00 0.00 O ATOM 0 H ASP B 35 -10.303 5.289 -9.610 1.00 0.00 H new ATOM 0 HA ASP B 35 -12.499 6.974 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -11.894 4.014 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -13.213 4.880 -11.698 1.00 0.00 H new ATOM 1562 N ASP B 36 -14.013 6.479 -8.711 1.00 0.00 N ATOM 1563 CA ASP B 36 -14.870 6.317 -7.523 1.00 0.00 C ATOM 1564 C ASP B 36 -15.389 4.900 -7.340 1.00 0.00 C ATOM 1565 O ASP B 36 -15.154 4.276 -6.304 1.00 0.00 O ATOM 1566 CB ASP B 36 -16.062 7.272 -7.596 1.00 0.00 C ATOM 1567 CG ASP B 36 -15.696 8.689 -7.223 1.00 0.00 C ATOM 1568 OD1 ASP B 36 -15.879 9.062 -6.044 1.00 0.00 O ATOM 1569 OD2 ASP B 36 -15.222 9.437 -8.101 1.00 0.00 O ATOM 0 H ASP B 36 -14.199 7.335 -9.234 1.00 0.00 H new ATOM 0 HA ASP B 36 -14.239 6.548 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -16.470 7.260 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -16.848 6.917 -6.930 1.00 0.00 H new ATOM 1574 N ASP B 37 -16.098 4.401 -8.342 1.00 0.00 N ATOM 1575 CA ASP B 37 -16.748 3.100 -8.249 1.00 0.00 C ATOM 1576 C ASP B 37 -15.734 1.985 -8.039 1.00 0.00 C ATOM 1577 O ASP B 37 -15.844 1.221 -7.081 1.00 0.00 O ATOM 1578 CB ASP B 37 -17.587 2.831 -9.496 1.00 0.00 C ATOM 1579 CG ASP B 37 -18.688 3.856 -9.667 1.00 0.00 C ATOM 1580 OD1 ASP B 37 -19.781 3.662 -9.098 1.00 0.00 O ATOM 1581 OD2 ASP B 37 -18.460 4.872 -10.357 1.00 0.00 O ATOM 0 H ASP B 37 -16.239 4.879 -9.232 1.00 0.00 H new ATOM 0 HA ASP B 37 -17.406 3.119 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -16.943 2.839 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -18.025 1.835 -9.431 1.00 0.00 H new ATOM 1586 N ARG B 38 -14.745 1.903 -8.925 1.00 0.00 N ATOM 1587 CA ARG B 38 -13.688 0.908 -8.811 1.00 0.00 C ATOM 1588 C ARG B 38 -13.003 0.999 -7.454 1.00 0.00 C ATOM 1589 O ARG B 38 -12.726 -0.014 -6.815 1.00 0.00 O ATOM 1590 CB ARG B 38 -12.657 1.120 -9.917 1.00 0.00 C ATOM 1591 CG ARG B 38 -11.440 0.230 -9.778 1.00 0.00 C ATOM 1592 CD ARG B 38 -11.766 -1.216 -10.081 1.00 0.00 C ATOM 1593 NE ARG B 38 -12.164 -1.402 -11.473 1.00 0.00 N ATOM 1594 CZ ARG B 38 -12.679 -2.529 -11.961 1.00 0.00 C ATOM 1595 NH1 ARG B 38 -12.847 -3.591 -11.175 1.00 0.00 N ATOM 1596 NH2 ARG B 38 -13.013 -2.600 -13.242 1.00 0.00 N ATOM 0 H ARG B 38 -14.656 2.518 -9.733 1.00 0.00 H new ATOM 0 HA ARG B 38 -14.136 -0.081 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -13.127 0.934 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -12.339 2.163 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -10.657 0.576 -10.453 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -11.045 0.309 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -10.897 -1.837 -9.865 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -12.569 -1.553 -9.425 1.00 0.00 H new ATOM 0 HE ARG B 38 -12.040 -0.618 -12.113 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -12.581 -3.545 -10.192 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -13.242 -4.450 -11.557 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -12.875 -1.793 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -13.408 -3.462 -13.619 1.00 0.00 H new ATOM 1610 N LEU B 39 -12.737 2.222 -7.032 1.00 0.00 N ATOM 1611 CA LEU B 39 -12.084 2.486 -5.761 1.00 0.00 C ATOM 1612 C LEU B 39 -12.882 1.902 -4.603 1.00 0.00 C ATOM 1613 O LEU B 39 -12.355 1.108 -3.822 1.00 0.00 O ATOM 1614 CB LEU B 39 -11.885 3.998 -5.615 1.00 0.00 C ATOM 1615 CG LEU B 39 -11.500 4.518 -4.230 1.00 0.00 C ATOM 1616 CD1 LEU B 39 -10.411 3.669 -3.604 1.00 0.00 C ATOM 1617 CD2 LEU B 39 -11.044 5.962 -4.347 1.00 0.00 C ATOM 0 H LEU B 39 -12.968 3.063 -7.562 1.00 0.00 H new ATOM 0 HA LEU B 39 -11.109 1.999 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -11.113 4.307 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -12.809 4.492 -5.917 1.00 0.00 H new ATOM 0 HG LEU B 39 -12.373 4.460 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -10.161 4.066 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -10.763 2.642 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -9.525 3.687 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -10.768 6.337 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -10.182 6.019 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -11.854 6.568 -4.752 1.00 0.00 H new ATOM 1629 N ASN B 40 -14.151 2.273 -4.510 1.00 0.00 N ATOM 1630 CA ASN B 40 -15.022 1.745 -3.466 1.00 0.00 C ATOM 1631 C ASN B 40 -15.089 0.224 -3.546 1.00 0.00 C ATOM 1632 O ASN B 40 -15.193 -0.450 -2.527 1.00 0.00 O ATOM 1633 CB ASN B 40 -16.434 2.324 -3.594 1.00 0.00 C ATOM 1634 CG ASN B 40 -16.504 3.806 -3.283 1.00 0.00 C ATOM 1635 OD1 ASN B 40 -15.799 4.304 -2.410 1.00 0.00 O ATOM 1636 ND2 ASN B 40 -17.355 4.521 -4.001 1.00 0.00 N ATOM 0 H ASN B 40 -14.601 2.935 -5.142 1.00 0.00 H new ATOM 0 HA ASN B 40 -14.605 2.036 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -16.798 2.155 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -17.102 1.787 -2.921 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -17.443 5.524 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -17.923 4.069 -4.717 1.00 0.00 H new ATOM 1643 N LYS B 41 -15.025 -0.311 -4.766 1.00 0.00 N ATOM 1644 CA LYS B 41 -15.041 -1.755 -4.971 1.00 0.00 C ATOM 1645 C LYS B 41 -13.798 -2.405 -4.384 1.00 0.00 C ATOM 1646 O LYS B 41 -13.905 -3.330 -3.585 1.00 0.00 O ATOM 1647 CB LYS B 41 -15.156 -2.102 -6.459 1.00 0.00 C ATOM 1648 CG LYS B 41 -16.491 -1.715 -7.074 1.00 0.00 C ATOM 1649 CD LYS B 41 -17.649 -2.390 -6.360 1.00 0.00 C ATOM 1650 CE LYS B 41 -18.986 -1.906 -6.889 1.00 0.00 C ATOM 1651 NZ LYS B 41 -20.123 -2.556 -6.189 1.00 0.00 N ATOM 0 H LYS B 41 -14.962 0.236 -5.625 1.00 0.00 H new ATOM 0 HA LYS B 41 -15.917 -2.146 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -14.356 -1.600 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -15.004 -3.174 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -16.614 -0.633 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -16.501 -1.992 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -17.576 -3.470 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -17.585 -2.189 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -19.055 -0.825 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -19.051 -2.112 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -21.019 -2.200 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -20.071 -3.586 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -20.076 -2.338 -5.173 1.00 0.00 H new ATOM 1665 N VAL B 42 -12.628 -1.909 -4.770 1.00 0.00 N ATOM 1666 CA VAL B 42 -11.366 -2.428 -4.257 1.00 0.00 C ATOM 1667 C VAL B 42 -11.331 -2.345 -2.734 1.00 0.00 C ATOM 1668 O VAL B 42 -10.935 -3.290 -2.046 1.00 0.00 O ATOM 1669 CB VAL B 42 -10.176 -1.647 -4.845 1.00 0.00 C ATOM 1670 CG1 VAL B 42 -8.873 -2.150 -4.257 1.00 0.00 C ATOM 1671 CG2 VAL B 42 -10.161 -1.767 -6.361 1.00 0.00 C ATOM 0 H VAL B 42 -12.527 -1.145 -5.439 1.00 0.00 H new ATOM 0 HA VAL B 42 -11.286 -3.473 -4.558 1.00 0.00 H new ATOM 0 HB VAL B 42 -10.287 -0.594 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -8.041 -1.588 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -8.886 -2.016 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -8.753 -3.208 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -9.314 -1.210 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -10.071 -2.816 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -11.087 -1.361 -6.767 1.00 0.00 H new ATOM 1681 N ILE B 43 -11.770 -1.208 -2.221 1.00 0.00 N ATOM 1682 CA ILE B 43 -11.890 -0.981 -0.797 1.00 0.00 C ATOM 1683 C ILE B 43 -12.828 -1.992 -0.155 1.00 0.00 C ATOM 1684 O ILE B 43 -12.520 -2.587 0.876 1.00 0.00 O ATOM 1685 CB ILE B 43 -12.398 0.424 -0.567 1.00 0.00 C ATOM 1686 CG1 ILE B 43 -11.265 1.370 -0.947 1.00 0.00 C ATOM 1687 CG2 ILE B 43 -12.848 0.620 0.872 1.00 0.00 C ATOM 1688 CD1 ILE B 43 -11.240 2.602 -0.118 1.00 0.00 C ATOM 0 H ILE B 43 -12.055 -0.411 -2.790 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.910 -1.103 -0.335 1.00 0.00 H new ATOM 0 HB ILE B 43 -13.277 0.626 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -10.313 0.849 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -11.365 1.646 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -13.208 1.640 1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -13.651 -0.081 1.101 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -12.008 0.441 1.543 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -10.412 3.237 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -12.179 3.142 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -11.110 2.333 0.930 1.00 0.00 H new ATOM 1700 N SER B 44 -13.963 -2.190 -0.798 1.00 0.00 N ATOM 1701 CA SER B 44 -14.975 -3.118 -0.323 1.00 0.00 C ATOM 1702 C SER B 44 -14.462 -4.556 -0.360 1.00 0.00 C ATOM 1703 O SER B 44 -14.819 -5.370 0.493 1.00 0.00 O ATOM 1704 CB SER B 44 -16.236 -2.969 -1.172 1.00 0.00 C ATOM 1705 OG SER B 44 -17.297 -3.778 -0.690 1.00 0.00 O ATOM 0 H SER B 44 -14.211 -1.713 -1.665 1.00 0.00 H new ATOM 0 HA SER B 44 -15.212 -2.883 0.715 1.00 0.00 H new ATOM 0 HB2 SER B 44 -16.549 -1.925 -1.177 1.00 0.00 H new ATOM 0 HB3 SER B 44 -16.013 -3.240 -2.204 1.00 0.00 H new ATOM 0 HG SER B 44 -18.086 -3.655 -1.257 1.00 0.00 H new ATOM 1711 N GLU B 45 -13.620 -4.862 -1.342 1.00 0.00 N ATOM 1712 CA GLU B 45 -13.012 -6.183 -1.438 1.00 0.00 C ATOM 1713 C GLU B 45 -12.049 -6.394 -0.278 1.00 0.00 C ATOM 1714 O GLU B 45 -12.047 -7.449 0.353 1.00 0.00 O ATOM 1715 CB GLU B 45 -12.287 -6.356 -2.776 1.00 0.00 C ATOM 1716 CG GLU B 45 -13.215 -6.301 -3.979 1.00 0.00 C ATOM 1717 CD GLU B 45 -12.499 -6.539 -5.293 1.00 0.00 C ATOM 1718 OE1 GLU B 45 -12.398 -7.713 -5.711 1.00 0.00 O ATOM 1719 OE2 GLU B 45 -12.045 -5.559 -5.920 1.00 0.00 O ATOM 0 H GLU B 45 -13.344 -4.215 -2.080 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.801 -6.933 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.531 -5.577 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -11.762 -7.311 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -14.000 -7.048 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.703 -5.327 -4.009 1.00 0.00 H new ATOM 1726 N LEU B 46 -11.244 -5.376 -0.001 1.00 0.00 N ATOM 1727 CA LEU B 46 -10.340 -5.393 1.145 1.00 0.00 C ATOM 1728 C LEU B 46 -11.110 -5.495 2.461 1.00 0.00 C ATOM 1729 O LEU B 46 -10.718 -6.223 3.368 1.00 0.00 O ATOM 1730 CB LEU B 46 -9.489 -4.131 1.157 1.00 0.00 C ATOM 1731 CG LEU B 46 -8.352 -4.114 0.145 1.00 0.00 C ATOM 1732 CD1 LEU B 46 -7.805 -2.716 0.001 1.00 0.00 C ATOM 1733 CD2 LEU B 46 -7.246 -5.069 0.567 1.00 0.00 C ATOM 0 H LEU B 46 -11.198 -4.522 -0.558 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.700 -6.270 1.050 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -10.135 -3.273 0.970 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.070 -4.003 2.155 1.00 0.00 H new ATOM 0 HG LEU B 46 -8.742 -4.442 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.992 -2.716 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -8.597 -2.049 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.430 -2.371 0.965 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.442 -5.043 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.857 -4.768 1.540 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.645 -6.081 0.633 1.00 0.00 H new ATOM 1745 N ASN B 47 -12.207 -4.753 2.547 1.00 0.00 N ATOM 1746 CA ASN B 47 -13.036 -4.721 3.751 1.00 0.00 C ATOM 1747 C ASN B 47 -13.742 -6.059 3.970 1.00 0.00 C ATOM 1748 O ASN B 47 -14.124 -6.399 5.090 1.00 0.00 O ATOM 1749 CB ASN B 47 -14.062 -3.582 3.638 1.00 0.00 C ATOM 1750 CG ASN B 47 -14.915 -3.405 4.883 1.00 0.00 C ATOM 1751 OD1 ASN B 47 -14.516 -2.726 5.830 1.00 0.00 O ATOM 1752 ND2 ASN B 47 -16.107 -3.986 4.874 1.00 0.00 N ATOM 0 H ASN B 47 -12.548 -4.159 1.791 1.00 0.00 H new ATOM 0 HA ASN B 47 -12.393 -4.542 4.613 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -13.536 -2.650 3.433 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -14.714 -3.775 2.786 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -16.733 -3.879 5.672 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -16.398 -4.540 4.069 1.00 0.00 H new ATOM 1759 N GLY B 48 -13.896 -6.823 2.897 1.00 0.00 N ATOM 1760 CA GLY B 48 -14.570 -8.102 2.989 1.00 0.00 C ATOM 1761 C GLY B 48 -13.601 -9.267 3.016 1.00 0.00 C ATOM 1762 O GLY B 48 -14.018 -10.424 2.971 1.00 0.00 O ATOM 0 H GLY B 48 -13.566 -6.579 1.963 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -15.183 -8.122 3.890 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -15.246 -8.215 2.141 1.00 0.00 H new ATOM 1766 N LYS B 49 -12.311 -8.960 3.063 1.00 0.00 N ATOM 1767 CA LYS B 49 -11.265 -9.976 3.099 1.00 0.00 C ATOM 1768 C LYS B 49 -10.142 -9.510 4.014 1.00 0.00 C ATOM 1769 O LYS B 49 -10.332 -8.612 4.834 1.00 0.00 O ATOM 1770 CB LYS B 49 -10.705 -10.240 1.691 1.00 0.00 C ATOM 1771 CG LYS B 49 -11.733 -10.773 0.703 1.00 0.00 C ATOM 1772 CD LYS B 49 -11.114 -11.006 -0.663 1.00 0.00 C ATOM 1773 CE LYS B 49 -12.157 -11.369 -1.709 1.00 0.00 C ATOM 1774 NZ LYS B 49 -12.755 -12.711 -1.473 1.00 0.00 N ATOM 0 H LYS B 49 -11.960 -8.002 3.077 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.695 -10.904 3.477 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.286 -9.313 1.299 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.885 -10.954 1.766 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.152 -11.706 1.079 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -12.558 -10.066 0.615 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.583 -10.108 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.376 -11.805 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -12.946 -10.617 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.699 -11.347 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -13.459 -12.912 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.008 -13.434 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -13.217 -12.726 -0.541 1.00 0.00 H new ATOM 1788 N ASN B 50 -8.983 -10.133 3.896 1.00 0.00 N ATOM 1789 CA ASN B 50 -7.789 -9.604 4.532 1.00 0.00 C ATOM 1790 C ASN B 50 -7.034 -8.783 3.505 1.00 0.00 C ATOM 1791 O ASN B 50 -7.055 -9.126 2.317 1.00 0.00 O ATOM 1792 CB ASN B 50 -6.876 -10.714 5.069 1.00 0.00 C ATOM 1793 CG ASN B 50 -7.593 -11.689 5.978 1.00 0.00 C ATOM 1794 OD1 ASN B 50 -7.759 -11.443 7.174 1.00 0.00 O ATOM 1795 ND2 ASN B 50 -7.985 -12.825 5.426 1.00 0.00 N ATOM 0 H ASN B 50 -8.843 -10.997 3.372 1.00 0.00 H new ATOM 0 HA ASN B 50 -8.091 -8.996 5.384 1.00 0.00 H new ATOM 0 HB2 ASN B 50 -6.446 -11.260 4.229 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -6.047 -10.262 5.614 1.00 0.00 H new ATOM 0 HD21 ASN B 50 -8.444 -13.537 5.995 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -7.829 -12.989 4.432 1.00 0.00 H new ATOM 1802 N ILE B 51 -6.394 -7.704 3.927 1.00 0.00 N ATOM 1803 CA ILE B 51 -5.668 -6.854 2.991 1.00 0.00 C ATOM 1804 C ILE B 51 -4.668 -7.679 2.192 1.00 0.00 C ATOM 1805 O ILE B 51 -4.672 -7.644 0.967 1.00 0.00 O ATOM 1806 CB ILE B 51 -4.951 -5.679 3.688 1.00 0.00 C ATOM 1807 CG1 ILE B 51 -5.875 -4.465 3.848 1.00 0.00 C ATOM 1808 CG2 ILE B 51 -3.715 -5.257 2.919 1.00 0.00 C ATOM 1809 CD1 ILE B 51 -7.255 -4.773 4.384 1.00 0.00 C ATOM 0 H ILE B 51 -6.361 -7.397 4.899 1.00 0.00 H new ATOM 0 HA ILE B 51 -6.407 -6.423 2.316 1.00 0.00 H new ATOM 0 HB ILE B 51 -4.660 -6.035 4.676 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.395 -3.749 4.515 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.980 -3.978 2.879 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.231 -4.427 3.435 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -3.023 -6.097 2.854 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -4.001 -4.943 1.915 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -7.830 -3.850 4.460 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -7.762 -5.462 3.709 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -7.169 -5.229 5.370 1.00 0.00 H new ATOM 1821 N GLU B 52 -3.868 -8.467 2.904 1.00 0.00 N ATOM 1822 CA GLU B 52 -2.793 -9.249 2.302 1.00 0.00 C ATOM 1823 C GLU B 52 -3.314 -10.149 1.183 1.00 0.00 C ATOM 1824 O GLU B 52 -2.659 -10.312 0.152 1.00 0.00 O ATOM 1825 CB GLU B 52 -2.111 -10.123 3.360 1.00 0.00 C ATOM 1826 CG GLU B 52 -1.756 -9.396 4.650 1.00 0.00 C ATOM 1827 CD GLU B 52 -2.849 -9.489 5.699 1.00 0.00 C ATOM 1828 OE1 GLU B 52 -3.907 -8.856 5.517 1.00 0.00 O ATOM 1829 OE2 GLU B 52 -2.641 -10.185 6.715 1.00 0.00 O ATOM 0 H GLU B 52 -3.947 -8.581 3.915 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.077 -8.543 1.883 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -2.767 -10.960 3.599 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.201 -10.544 2.933 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.834 -9.814 5.055 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -1.560 -8.347 4.428 1.00 0.00 H new ATOM 1836 N ASP B 53 -4.490 -10.736 1.394 1.00 0.00 N ATOM 1837 CA ASP B 53 -5.102 -11.609 0.395 1.00 0.00 C ATOM 1838 C ASP B 53 -5.465 -10.812 -0.842 1.00 0.00 C ATOM 1839 O ASP B 53 -5.057 -11.149 -1.952 1.00 0.00 O ATOM 1840 CB ASP B 53 -6.357 -12.299 0.939 1.00 0.00 C ATOM 1841 CG ASP B 53 -6.042 -13.415 1.911 1.00 0.00 C ATOM 1842 OD1 ASP B 53 -6.539 -13.368 3.055 1.00 0.00 O ATOM 1843 OD2 ASP B 53 -5.309 -14.355 1.532 1.00 0.00 O ATOM 0 H ASP B 53 -5.038 -10.623 2.247 1.00 0.00 H new ATOM 0 HA ASP B 53 -4.372 -12.377 0.141 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -6.986 -11.559 1.435 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -6.934 -12.701 0.106 1.00 0.00 H new ATOM 1848 N VAL B 54 -6.218 -9.740 -0.637 1.00 0.00 N ATOM 1849 CA VAL B 54 -6.626 -8.870 -1.725 1.00 0.00 C ATOM 1850 C VAL B 54 -5.402 -8.238 -2.394 1.00 0.00 C ATOM 1851 O VAL B 54 -5.410 -7.946 -3.585 1.00 0.00 O ATOM 1852 CB VAL B 54 -7.612 -7.793 -1.221 1.00 0.00 C ATOM 1853 CG1 VAL B 54 -7.899 -6.753 -2.292 1.00 0.00 C ATOM 1854 CG2 VAL B 54 -8.905 -8.440 -0.768 1.00 0.00 C ATOM 0 H VAL B 54 -6.559 -9.453 0.280 1.00 0.00 H new ATOM 0 HA VAL B 54 -7.144 -9.469 -2.474 1.00 0.00 H new ATOM 0 HB VAL B 54 -7.146 -7.285 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -8.596 -6.012 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -6.970 -6.261 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -8.337 -7.240 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -9.592 -7.671 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -9.357 -8.974 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -8.697 -9.140 0.041 1.00 0.00 H new ATOM 1864 N ILE B 55 -4.346 -8.046 -1.619 1.00 0.00 N ATOM 1865 CA ILE B 55 -3.056 -7.646 -2.152 1.00 0.00 C ATOM 1866 C ILE B 55 -2.503 -8.682 -3.110 1.00 0.00 C ATOM 1867 O ILE B 55 -2.293 -8.414 -4.290 1.00 0.00 O ATOM 1868 CB ILE B 55 -2.031 -7.461 -1.020 1.00 0.00 C ATOM 1869 CG1 ILE B 55 -2.396 -6.221 -0.204 1.00 0.00 C ATOM 1870 CG2 ILE B 55 -0.629 -7.361 -1.609 1.00 0.00 C ATOM 1871 CD1 ILE B 55 -1.738 -4.971 -0.694 1.00 0.00 C ATOM 0 H ILE B 55 -4.360 -8.163 -0.606 1.00 0.00 H new ATOM 0 HA ILE B 55 -3.216 -6.706 -2.680 1.00 0.00 H new ATOM 0 HB ILE B 55 -2.048 -8.321 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.477 -6.086 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.117 -6.385 0.837 1.00 0.00 H new ATOM 0 HG21 ILE B 55 0.095 -7.230 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.399 -8.274 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -0.578 -6.508 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -2.042 -4.131 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -0.655 -5.087 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -2.037 -4.783 -1.725 1.00 0.00 H new ATOM 1883 N ALA B 56 -2.286 -9.872 -2.591 1.00 0.00 N ATOM 1884 CA ALA B 56 -1.576 -10.900 -3.318 1.00 0.00 C ATOM 1885 C ALA B 56 -2.407 -11.447 -4.474 1.00 0.00 C ATOM 1886 O ALA B 56 -1.896 -12.137 -5.354 1.00 0.00 O ATOM 1887 CB ALA B 56 -1.149 -11.981 -2.346 1.00 0.00 C ATOM 0 H ALA B 56 -2.595 -10.152 -1.660 1.00 0.00 H new ATOM 0 HA ALA B 56 -0.684 -10.473 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -0.612 -12.762 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -0.497 -11.550 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -2.030 -12.409 -1.868 1.00 0.00 H new ATOM 1893 N GLN B 57 -3.691 -11.133 -4.459 1.00 0.00 N ATOM 1894 CA GLN B 57 -4.569 -11.442 -5.581 1.00 0.00 C ATOM 1895 C GLN B 57 -4.745 -10.225 -6.493 1.00 0.00 C ATOM 1896 O GLN B 57 -4.964 -10.367 -7.696 1.00 0.00 O ATOM 1897 CB GLN B 57 -5.934 -11.901 -5.065 1.00 0.00 C ATOM 1898 CG GLN B 57 -5.870 -13.167 -4.225 1.00 0.00 C ATOM 1899 CD GLN B 57 -5.324 -14.355 -4.993 1.00 0.00 C ATOM 1900 OE1 GLN B 57 -5.620 -14.423 -6.281 1.00 0.00 O flip ATOM 1901 NE2 GLN B 57 -4.659 -15.221 -4.423 1.00 0.00 N flip ATOM 0 H GLN B 57 -4.153 -10.663 -3.681 1.00 0.00 H new ATOM 0 HA GLN B 57 -4.110 -12.243 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -6.376 -11.102 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -6.596 -12.071 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -5.244 -12.986 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -6.868 -13.405 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -4.452 -15.132 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -4.315 -16.027 -4.946 1.00 0.00 H new ATOM 1910 N GLY B 58 -4.631 -9.033 -5.917 1.00 0.00 N ATOM 1911 CA GLY B 58 -4.937 -7.814 -6.646 1.00 0.00 C ATOM 1912 C GLY B 58 -3.740 -7.207 -7.350 1.00 0.00 C ATOM 1913 O GLY B 58 -3.895 -6.590 -8.406 1.00 0.00 O ATOM 0 H GLY B 58 -4.331 -8.888 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -5.711 -8.027 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -5.350 -7.081 -5.953 1.00 0.00 H new ATOM 1917 N ILE B 59 -2.556 -7.341 -6.770 1.00 0.00 N ATOM 1918 CA ILE B 59 -1.347 -6.832 -7.408 1.00 0.00 C ATOM 1919 C ILE B 59 -0.935 -7.775 -8.536 1.00 0.00 C ATOM 1920 O ILE B 59 -0.844 -7.362 -9.692 1.00 0.00 O ATOM 1921 CB ILE B 59 -0.167 -6.632 -6.409 1.00 0.00 C ATOM 1922 CG1 ILE B 59 -0.356 -5.367 -5.557 1.00 0.00 C ATOM 1923 CG2 ILE B 59 1.154 -6.538 -7.156 1.00 0.00 C ATOM 1924 CD1 ILE B 59 -1.526 -5.403 -4.602 1.00 0.00 C ATOM 0 H ILE B 59 -2.405 -7.793 -5.868 1.00 0.00 H new ATOM 0 HA ILE B 59 -1.580 -5.845 -7.808 1.00 0.00 H new ATOM 0 HB ILE B 59 -0.154 -7.498 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.555 -5.195 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -0.479 -4.514 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE B 59 1.966 -6.399 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE B 59 1.320 -7.456 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE B 59 1.125 -5.692 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -1.573 -4.465 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -2.450 -5.539 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -1.401 -6.231 -3.904 1.00 0.00 H new