USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 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 180:sc= 0.768 USER MOD Single : A 6 SER OG : rot 41:sc= -0.81 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.713 F(o=-1.9!,f=-0.71) 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 180:sc= 0.0265 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0716) USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= 0.977 (180deg=-1.59!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.14) USER MOD Single : A 29 SER OG : rot 62:sc= 1.18 USER MOD Single : A 40 ASN : amide:sc= 1.18 K(o=1.2,f=-0.028) 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 K(o=0,f=-0.67) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00507 F(o=-1,f=-0.0051) USER MOD Single : B 3 TYR OH : rot 180:sc= 0.741 USER MOD Single : B 6 SER OG : rot 43:sc= -0.793 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 ASN :FLIP amide:sc= -0.716 F(o=-1.9!,f=-0.72) 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 180:sc= 0.0182 USER MOD Single : B 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0713) USER MOD Single : B 24 LYS NZ :NH3+ -144:sc= 0.869 (180deg=-1.79!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : B 29 SER OG : rot 63:sc= 1.19 USER MOD Single : B 40 ASN : amide:sc= 1.22 K(o=1.2,f=-0.019) 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 K(o=0,f=-0.69) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 ASN : amide:sc= 1.02 K(o=1,f=-0.14) USER MOD Single : B 57 GLN :FLIP amide:sc=-0.00385 F(o=-1.1,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 2 4.176 -1.085 7.263 1.00 0.00 N ATOM 31 CA ARG A 2 4.145 0.352 7.531 1.00 0.00 C ATOM 32 C ARG A 2 4.572 1.179 6.313 1.00 0.00 C ATOM 33 O ARG A 2 3.971 2.210 6.018 1.00 0.00 O ATOM 34 CB ARG A 2 5.042 0.682 8.730 1.00 0.00 C ATOM 35 CG ARG A 2 5.075 2.160 9.084 1.00 0.00 C ATOM 36 CD ARG A 2 3.718 2.659 9.553 1.00 0.00 C ATOM 37 NE ARG A 2 3.398 2.220 10.912 1.00 0.00 N ATOM 38 CZ ARG A 2 2.381 2.696 11.629 1.00 0.00 C ATOM 39 NH1 ARG A 2 1.564 3.610 11.117 1.00 0.00 N ATOM 40 NH2 ARG A 2 2.191 2.263 12.866 1.00 0.00 N ATOM 0 HA ARG A 2 3.113 0.618 7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.696 0.118 9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.057 0.347 8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.815 2.330 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.393 2.735 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.701 3.748 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.948 2.303 8.869 1.00 0.00 H new ATOM 0 HE ARG A 2 3.990 1.506 11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.713 3.953 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.788 3.969 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.822 1.568 13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.414 2.624 13.419 1.00 0.00 H new ATOM 54 N TYR A 3 5.597 0.726 5.605 1.00 0.00 N ATOM 55 CA TYR A 3 6.132 1.498 4.488 1.00 0.00 C ATOM 56 C TYR A 3 5.746 0.912 3.142 1.00 0.00 C ATOM 57 O TYR A 3 5.994 1.526 2.111 1.00 0.00 O ATOM 58 CB TYR A 3 7.647 1.593 4.603 1.00 0.00 C ATOM 59 CG TYR A 3 8.075 2.040 5.972 1.00 0.00 C ATOM 60 CD1 TYR A 3 7.939 3.363 6.358 1.00 0.00 C ATOM 61 CD2 TYR A 3 8.570 1.134 6.892 1.00 0.00 C ATOM 62 CE1 TYR A 3 8.287 3.771 7.620 1.00 0.00 C ATOM 63 CE2 TYR A 3 8.926 1.535 8.153 1.00 0.00 C ATOM 64 CZ TYR A 3 8.783 2.853 8.519 1.00 0.00 C ATOM 65 OH TYR A 3 9.136 3.252 9.788 1.00 0.00 O ATOM 0 H TYR A 3 6.071 -0.160 5.779 1.00 0.00 H new ATOM 0 HA TYR A 3 5.694 2.495 4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.090 0.622 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.025 2.292 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.553 4.085 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.677 0.096 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.173 4.806 7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.318 0.817 8.858 1.00 0.00 H new ATOM 0 HH TYR A 3 9.466 2.480 10.294 1.00 0.00 H new ATOM 75 N VAL A 4 5.128 -0.261 3.147 1.00 0.00 N ATOM 76 CA VAL A 4 4.711 -0.891 1.901 1.00 0.00 C ATOM 77 C VAL A 4 3.569 -0.104 1.277 1.00 0.00 C ATOM 78 O VAL A 4 3.448 -0.021 0.061 1.00 0.00 O ATOM 79 CB VAL A 4 4.290 -2.363 2.112 1.00 0.00 C ATOM 80 CG1 VAL A 4 3.781 -2.982 0.827 1.00 0.00 C ATOM 81 CG2 VAL A 4 5.458 -3.163 2.628 1.00 0.00 C ATOM 0 H VAL A 4 4.906 -0.791 3.990 1.00 0.00 H new ATOM 0 HA VAL A 4 5.567 -0.888 1.226 1.00 0.00 H new ATOM 0 HB VAL A 4 3.481 -2.378 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.493 -4.017 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.916 -2.423 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.567 -2.952 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.153 -4.199 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.274 -3.123 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.793 -2.746 3.578 1.00 0.00 H new ATOM 91 N ALA A 5 2.759 0.499 2.127 1.00 0.00 N ATOM 92 CA ALA A 5 1.644 1.318 1.685 1.00 0.00 C ATOM 93 C ALA A 5 2.118 2.474 0.800 1.00 0.00 C ATOM 94 O ALA A 5 1.673 2.635 -0.344 1.00 0.00 O ATOM 95 CB ALA A 5 0.921 1.850 2.901 1.00 0.00 C ATOM 0 H ALA A 5 2.854 0.436 3.141 1.00 0.00 H new ATOM 0 HA ALA A 5 0.969 0.706 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.081 2.467 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.553 1.016 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.607 2.451 3.498 1.00 0.00 H new ATOM 101 N SER A 6 3.043 3.259 1.333 1.00 0.00 N ATOM 102 CA SER A 6 3.592 4.396 0.616 1.00 0.00 C ATOM 103 C SER A 6 4.494 3.929 -0.515 1.00 0.00 C ATOM 104 O SER A 6 4.526 4.537 -1.585 1.00 0.00 O ATOM 105 CB SER A 6 4.354 5.285 1.593 1.00 0.00 C ATOM 106 OG SER A 6 4.948 4.503 2.617 1.00 0.00 O ATOM 0 H SER A 6 3.430 3.126 2.267 1.00 0.00 H new ATOM 0 HA SER A 6 2.780 4.972 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.124 5.844 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.676 6.017 2.033 1.00 0.00 H new ATOM 0 HG SER A 6 5.321 3.684 2.229 1.00 0.00 H new ATOM 112 N TYR A 7 5.219 2.843 -0.268 1.00 0.00 N ATOM 113 CA TYR A 7 6.049 2.219 -1.287 1.00 0.00 C ATOM 114 C TYR A 7 5.200 1.888 -2.517 1.00 0.00 C ATOM 115 O TYR A 7 5.555 2.231 -3.650 1.00 0.00 O ATOM 116 CB TYR A 7 6.698 0.951 -0.715 1.00 0.00 C ATOM 117 CG TYR A 7 7.469 0.140 -1.720 1.00 0.00 C ATOM 118 CD1 TYR A 7 6.871 -0.913 -2.398 1.00 0.00 C ATOM 119 CD2 TYR A 7 8.796 0.429 -1.988 1.00 0.00 C ATOM 120 CE1 TYR A 7 7.583 -1.658 -3.319 1.00 0.00 C ATOM 121 CE2 TYR A 7 9.517 -0.309 -2.903 1.00 0.00 C ATOM 122 CZ TYR A 7 8.907 -1.352 -3.569 1.00 0.00 C ATOM 123 OH TYR A 7 9.621 -2.090 -4.486 1.00 0.00 O ATOM 0 H TYR A 7 5.247 2.375 0.638 1.00 0.00 H new ATOM 0 HA TYR A 7 6.838 2.908 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.369 1.235 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.920 0.324 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.836 -1.153 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.275 1.247 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.107 -2.475 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.553 -0.072 -3.097 1.00 0.00 H new ATOM 0 HH TYR A 7 10.536 -1.744 -4.544 1.00 0.00 H new ATOM 133 N LEU A 8 4.060 1.244 -2.273 1.00 0.00 N ATOM 134 CA LEU A 8 3.132 0.897 -3.338 1.00 0.00 C ATOM 135 C LEU A 8 2.663 2.148 -4.070 1.00 0.00 C ATOM 136 O LEU A 8 2.839 2.253 -5.278 1.00 0.00 O ATOM 137 CB LEU A 8 1.914 0.135 -2.796 1.00 0.00 C ATOM 138 CG LEU A 8 1.921 -1.377 -3.009 1.00 0.00 C ATOM 139 CD1 LEU A 8 3.041 -2.017 -2.221 1.00 0.00 C ATOM 140 CD2 LEU A 8 0.581 -1.972 -2.605 1.00 0.00 C ATOM 0 H LEU A 8 3.760 0.953 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 8 3.665 0.249 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.834 0.331 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.018 0.544 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 8 2.086 -1.578 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.031 -3.095 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.997 -1.609 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.904 -1.810 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.600 -3.050 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.392 -1.762 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.210 -1.531 -3.211 1.00 0.00 H new ATOM 152 N LEU A 9 2.071 3.095 -3.334 1.00 0.00 N ATOM 153 CA LEU A 9 1.588 4.346 -3.935 1.00 0.00 C ATOM 154 C LEU A 9 2.641 4.996 -4.823 1.00 0.00 C ATOM 155 O LEU A 9 2.357 5.372 -5.961 1.00 0.00 O ATOM 156 CB LEU A 9 1.179 5.352 -2.862 1.00 0.00 C ATOM 157 CG LEU A 9 -0.256 5.244 -2.363 1.00 0.00 C ATOM 158 CD1 LEU A 9 -0.508 6.288 -1.310 1.00 0.00 C ATOM 159 CD2 LEU A 9 -1.244 5.431 -3.494 1.00 0.00 C ATOM 0 H LEU A 9 1.915 3.022 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 9 0.724 4.077 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.849 5.238 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.332 6.357 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.393 4.248 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.536 6.207 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.176 6.136 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.348 7.279 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.260 5.349 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.104 6.416 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.081 4.664 -4.251 1.00 0.00 H new ATOM 171 N ALA A 10 3.855 5.124 -4.300 1.00 0.00 N ATOM 172 CA ALA A 10 4.941 5.756 -5.035 1.00 0.00 C ATOM 173 C ALA A 10 5.233 4.997 -6.328 1.00 0.00 C ATOM 174 O ALA A 10 5.514 5.600 -7.366 1.00 0.00 O ATOM 175 CB ALA A 10 6.194 5.837 -4.171 1.00 0.00 C ATOM 0 H ALA A 10 4.111 4.798 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 10 4.633 6.769 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.996 6.312 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.983 6.424 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.501 4.832 -3.880 1.00 0.00 H new ATOM 181 N ALA A 11 5.144 3.667 -6.260 1.00 0.00 N ATOM 182 CA ALA A 11 5.355 2.821 -7.428 1.00 0.00 C ATOM 183 C ALA A 11 4.280 3.072 -8.480 1.00 0.00 C ATOM 184 O ALA A 11 4.560 3.138 -9.678 1.00 0.00 O ATOM 185 CB ALA A 11 5.358 1.350 -7.024 1.00 0.00 C ATOM 0 H ALA A 11 4.927 3.155 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 11 6.325 3.072 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.517 0.731 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.159 1.171 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.401 1.096 -6.569 1.00 0.00 H new ATOM 191 N LEU A 12 3.047 3.240 -8.018 1.00 0.00 N ATOM 192 CA LEU A 12 1.906 3.422 -8.911 1.00 0.00 C ATOM 193 C LEU A 12 1.906 4.827 -9.500 1.00 0.00 C ATOM 194 O LEU A 12 1.211 5.101 -10.480 1.00 0.00 O ATOM 195 CB LEU A 12 0.594 3.179 -8.160 1.00 0.00 C ATOM 196 CG LEU A 12 0.644 2.082 -7.094 1.00 0.00 C ATOM 197 CD1 LEU A 12 -0.707 1.912 -6.428 1.00 0.00 C ATOM 198 CD2 LEU A 12 1.130 0.766 -7.678 1.00 0.00 C ATOM 0 H LEU A 12 2.810 3.254 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 12 1.992 2.698 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.289 4.111 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.179 2.923 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 12 1.360 2.392 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.645 1.127 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.999 2.849 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.450 1.638 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.154 0.008 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.453 0.448 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.132 0.897 -8.087 1.00 0.00 H new ATOM 210 N GLY A 13 2.688 5.711 -8.893 1.00 0.00 N ATOM 211 CA GLY A 13 2.785 7.075 -9.372 1.00 0.00 C ATOM 212 C GLY A 13 3.720 7.200 -10.557 1.00 0.00 C ATOM 213 O GLY A 13 3.946 8.299 -11.066 1.00 0.00 O ATOM 0 H GLY A 13 3.259 5.505 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.794 7.431 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.136 7.718 -8.565 1.00 0.00 H new ATOM 217 N GLY A 14 4.274 6.073 -10.984 1.00 0.00 N ATOM 218 CA GLY A 14 5.135 6.060 -12.148 1.00 0.00 C ATOM 219 C GLY A 14 6.543 5.633 -11.806 1.00 0.00 C ATOM 220 O GLY A 14 7.245 5.053 -12.632 1.00 0.00 O ATOM 0 H GLY A 14 4.141 5.164 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.723 5.383 -12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.156 7.054 -12.594 1.00 0.00 H new ATOM 224 N ASN A 15 6.953 5.903 -10.579 1.00 0.00 N ATOM 225 CA ASN A 15 8.299 5.579 -10.141 1.00 0.00 C ATOM 226 C ASN A 15 8.301 4.221 -9.441 1.00 0.00 C ATOM 227 O ASN A 15 8.201 4.142 -8.217 1.00 0.00 O ATOM 228 CB ASN A 15 8.818 6.678 -9.210 1.00 0.00 C ATOM 229 CG ASN A 15 10.304 6.562 -8.932 1.00 0.00 C ATOM 230 OD1 ASN A 15 10.651 5.866 -7.869 1.00 0.00 O flip ATOM 231 ND2 ASN A 15 11.131 7.101 -9.669 1.00 0.00 N flip ATOM 0 H ASN A 15 6.372 6.346 -9.868 1.00 0.00 H new ATOM 0 HA ASN A 15 8.962 5.520 -11.005 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.612 7.651 -9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.273 6.636 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.820 7.631 -10.483 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.127 7.017 -9.465 1.00 0.00 H new ATOM 238 N SER A 16 8.415 3.159 -10.237 1.00 0.00 N ATOM 239 CA SER A 16 8.279 1.786 -9.752 1.00 0.00 C ATOM 240 C SER A 16 9.332 1.418 -8.704 1.00 0.00 C ATOM 241 O SER A 16 9.108 0.531 -7.881 1.00 0.00 O ATOM 242 CB SER A 16 8.363 0.819 -10.925 1.00 0.00 C ATOM 243 OG SER A 16 7.518 1.235 -11.987 1.00 0.00 O ATOM 0 H SER A 16 8.604 3.226 -11.237 1.00 0.00 H new ATOM 0 HA SER A 16 7.306 1.712 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.393 0.757 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.077 -0.181 -10.598 1.00 0.00 H new ATOM 0 HG SER A 16 7.590 0.600 -12.730 1.00 0.00 H new ATOM 249 N SER A 17 10.479 2.084 -8.738 1.00 0.00 N ATOM 250 CA SER A 17 11.518 1.847 -7.747 1.00 0.00 C ATOM 251 C SER A 17 11.649 3.084 -6.860 1.00 0.00 C ATOM 252 O SER A 17 12.513 3.933 -7.076 1.00 0.00 O ATOM 253 CB SER A 17 12.847 1.516 -8.435 1.00 0.00 C ATOM 254 OG SER A 17 13.787 0.972 -7.517 1.00 0.00 O ATOM 0 H SER A 17 10.712 2.789 -9.438 1.00 0.00 H new ATOM 0 HA SER A 17 11.248 0.992 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.673 0.805 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.259 2.418 -8.887 1.00 0.00 H new ATOM 0 HG SER A 17 14.623 0.770 -7.986 1.00 0.00 H new ATOM 260 N PRO A 18 10.764 3.201 -5.859 1.00 0.00 N ATOM 261 CA PRO A 18 10.618 4.404 -5.038 1.00 0.00 C ATOM 262 C PRO A 18 11.765 4.598 -4.056 1.00 0.00 C ATOM 263 O PRO A 18 12.416 3.637 -3.641 1.00 0.00 O ATOM 264 CB PRO A 18 9.297 4.165 -4.281 1.00 0.00 C ATOM 265 CG PRO A 18 8.685 2.959 -4.918 1.00 0.00 C ATOM 266 CD PRO A 18 9.836 2.155 -5.425 1.00 0.00 C ATOM 0 HA PRO A 18 10.622 5.306 -5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.478 3.999 -3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.637 5.029 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.095 2.391 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.014 3.240 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.267 1.523 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.546 1.499 -6.246 1.00 0.00 H new ATOM 274 N SER A 19 12.006 5.846 -3.696 1.00 0.00 N ATOM 275 CA SER A 19 13.032 6.184 -2.734 1.00 0.00 C ATOM 276 C SER A 19 12.389 6.543 -1.398 1.00 0.00 C ATOM 277 O SER A 19 11.280 7.082 -1.347 1.00 0.00 O ATOM 278 CB SER A 19 13.877 7.333 -3.280 1.00 0.00 C ATOM 279 OG SER A 19 13.070 8.256 -3.997 1.00 0.00 O ATOM 0 H SER A 19 11.496 6.650 -4.063 1.00 0.00 H new ATOM 0 HA SER A 19 13.687 5.329 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.379 7.844 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.655 6.939 -3.934 1.00 0.00 H new ATOM 0 HG SER A 19 13.630 8.985 -4.337 1.00 0.00 H new ATOM 285 N ALA A 20 13.098 6.224 -0.324 1.00 0.00 N ATOM 286 CA ALA A 20 12.553 6.272 1.028 1.00 0.00 C ATOM 287 C ALA A 20 12.126 7.675 1.448 1.00 0.00 C ATOM 288 O ALA A 20 11.249 7.824 2.297 1.00 0.00 O ATOM 289 CB ALA A 20 13.573 5.728 2.011 1.00 0.00 C ATOM 0 H ALA A 20 14.072 5.923 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 20 11.656 5.653 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.162 5.766 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.811 4.696 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.480 6.331 1.966 1.00 0.00 H new ATOM 295 N LYS A 21 12.741 8.700 0.873 1.00 0.00 N ATOM 296 CA LYS A 21 12.388 10.074 1.215 1.00 0.00 C ATOM 297 C LYS A 21 10.998 10.405 0.690 1.00 0.00 C ATOM 298 O LYS A 21 10.189 11.039 1.379 1.00 0.00 O ATOM 299 CB LYS A 21 13.415 11.058 0.661 1.00 0.00 C ATOM 300 CG LYS A 21 14.837 10.755 1.085 1.00 0.00 C ATOM 301 CD LYS A 21 14.991 10.849 2.590 1.00 0.00 C ATOM 302 CE LYS A 21 16.372 10.422 3.032 1.00 0.00 C ATOM 303 NZ LYS A 21 17.437 11.312 2.497 1.00 0.00 N ATOM 0 H LYS A 21 13.479 8.610 0.175 1.00 0.00 H new ATOM 0 HA LYS A 21 12.386 10.166 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.361 11.052 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.154 12.065 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.114 9.755 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.520 11.454 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.805 11.873 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.242 10.221 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.418 10.419 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.557 9.400 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.351 11.053 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.491 11.206 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.214 12.300 2.732 1.00 0.00 H new ATOM 317 N ASP A 22 10.718 9.950 -0.523 1.00 0.00 N ATOM 318 CA ASP A 22 9.397 10.112 -1.113 1.00 0.00 C ATOM 319 C ASP A 22 8.389 9.358 -0.263 1.00 0.00 C ATOM 320 O ASP A 22 7.312 9.860 0.034 1.00 0.00 O ATOM 321 CB ASP A 22 9.380 9.577 -2.549 1.00 0.00 C ATOM 322 CG ASP A 22 8.284 10.203 -3.393 1.00 0.00 C ATOM 323 OD1 ASP A 22 7.109 9.811 -3.254 1.00 0.00 O ATOM 324 OD2 ASP A 22 8.603 11.089 -4.214 1.00 0.00 O ATOM 0 H ASP A 22 11.389 9.465 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 22 9.140 11.171 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.346 9.768 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.244 8.496 -2.528 1.00 0.00 H new ATOM 329 N ILE A 23 8.786 8.155 0.156 1.00 0.00 N ATOM 330 CA ILE A 23 8.000 7.338 1.074 1.00 0.00 C ATOM 331 C ILE A 23 7.612 8.143 2.309 1.00 0.00 C ATOM 332 O ILE A 23 6.437 8.203 2.678 1.00 0.00 O ATOM 333 CB ILE A 23 8.798 6.095 1.529 1.00 0.00 C ATOM 334 CG1 ILE A 23 9.228 5.253 0.325 1.00 0.00 C ATOM 335 CG2 ILE A 23 7.987 5.255 2.504 1.00 0.00 C ATOM 336 CD1 ILE A 23 8.080 4.649 -0.433 1.00 0.00 C ATOM 0 H ILE A 23 9.663 7.722 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 23 7.103 7.020 0.542 1.00 0.00 H new ATOM 0 HB ILE A 23 9.695 6.443 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.811 5.876 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.885 4.454 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.571 4.386 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.740 5.853 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.068 4.923 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.463 4.067 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.509 3.998 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.434 5.443 -0.808 1.00 0.00 H new ATOM 348 N LYS A 24 8.611 8.771 2.927 1.00 0.00 N ATOM 349 CA LYS A 24 8.392 9.587 4.114 1.00 0.00 C ATOM 350 C LYS A 24 7.368 10.673 3.830 1.00 0.00 C ATOM 351 O LYS A 24 6.494 10.934 4.647 1.00 0.00 O ATOM 352 CB LYS A 24 9.692 10.236 4.587 1.00 0.00 C ATOM 353 CG LYS A 24 10.769 9.244 4.985 1.00 0.00 C ATOM 354 CD LYS A 24 11.961 9.954 5.599 1.00 0.00 C ATOM 355 CE LYS A 24 13.111 8.998 5.859 1.00 0.00 C ATOM 356 NZ LYS A 24 14.180 9.646 6.660 1.00 0.00 N ATOM 0 H LYS A 24 9.583 8.728 2.621 1.00 0.00 H new ATOM 0 HA LYS A 24 8.021 8.929 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.077 10.875 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.475 10.882 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.362 8.526 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.089 8.678 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.293 10.750 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.661 10.426 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.743 8.117 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.522 8.654 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.107 9.278 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.152 10.675 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.031 9.440 7.668 1.00 0.00 H new ATOM 370 N LYS A 25 7.482 11.293 2.664 1.00 0.00 N ATOM 371 CA LYS A 25 6.563 12.338 2.260 1.00 0.00 C ATOM 372 C LYS A 25 5.131 11.808 2.151 1.00 0.00 C ATOM 373 O LYS A 25 4.182 12.442 2.623 1.00 0.00 O ATOM 374 CB LYS A 25 7.029 12.930 0.934 1.00 0.00 C ATOM 375 CG LYS A 25 6.209 14.106 0.437 1.00 0.00 C ATOM 376 CD LYS A 25 6.383 15.347 1.301 1.00 0.00 C ATOM 377 CE LYS A 25 5.498 15.317 2.541 1.00 0.00 C ATOM 378 NZ LYS A 25 5.818 16.414 3.490 1.00 0.00 N ATOM 0 H LYS A 25 8.209 11.086 1.979 1.00 0.00 H new ATOM 0 HA LYS A 25 6.558 13.119 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.066 13.247 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.010 12.147 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.498 14.338 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.156 13.827 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.427 15.433 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.149 16.233 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.453 15.393 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.616 14.358 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.314 16.256 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.843 16.432 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.522 17.324 3.082 1.00 0.00 H new ATOM 392 N ILE A 26 4.972 10.636 1.556 1.00 0.00 N ATOM 393 CA ILE A 26 3.652 10.044 1.389 1.00 0.00 C ATOM 394 C ILE A 26 3.069 9.637 2.745 1.00 0.00 C ATOM 395 O ILE A 26 1.879 9.814 3.004 1.00 0.00 O ATOM 396 CB ILE A 26 3.692 8.829 0.453 1.00 0.00 C ATOM 397 CG1 ILE A 26 4.587 9.108 -0.748 1.00 0.00 C ATOM 398 CG2 ILE A 26 2.287 8.521 -0.027 1.00 0.00 C ATOM 399 CD1 ILE A 26 4.912 7.871 -1.544 1.00 0.00 C ATOM 0 H ILE A 26 5.738 10.076 1.181 1.00 0.00 H new ATOM 0 HA ILE A 26 3.011 10.800 0.936 1.00 0.00 H new ATOM 0 HB ILE A 26 4.095 7.976 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.097 9.833 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.515 9.565 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.311 7.658 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.650 8.301 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.889 9.382 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.552 8.137 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.430 7.154 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.990 7.425 -1.917 1.00 0.00 H new ATOM 411 N LEU A 27 3.924 9.099 3.606 1.00 0.00 N ATOM 412 CA LEU A 27 3.562 8.813 4.995 1.00 0.00 C ATOM 413 C LEU A 27 3.166 10.099 5.697 1.00 0.00 C ATOM 414 O LEU A 27 2.172 10.149 6.409 1.00 0.00 O ATOM 415 CB LEU A 27 4.748 8.165 5.714 1.00 0.00 C ATOM 416 CG LEU A 27 5.155 6.796 5.177 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.614 6.526 5.476 1.00 0.00 C ATOM 418 CD2 LEU A 27 4.296 5.700 5.777 1.00 0.00 C ATOM 0 H LEU A 27 4.883 8.849 3.366 1.00 0.00 H new ATOM 0 HA LEU A 27 2.717 8.125 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.605 8.835 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.503 8.066 6.772 1.00 0.00 H new ATOM 0 HG LEU A 27 5.006 6.801 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.890 5.546 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.230 7.291 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.774 6.547 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.607 4.735 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.412 5.699 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.251 5.878 5.524 1.00 0.00 H new ATOM 430 N ASP A 28 3.939 11.141 5.456 1.00 0.00 N ATOM 431 CA ASP A 28 3.688 12.453 6.035 1.00 0.00 C ATOM 432 C ASP A 28 2.355 13.019 5.551 1.00 0.00 C ATOM 433 O ASP A 28 1.698 13.772 6.267 1.00 0.00 O ATOM 434 CB ASP A 28 4.834 13.397 5.666 1.00 0.00 C ATOM 435 CG ASP A 28 4.745 14.748 6.342 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.212 14.869 7.495 1.00 0.00 O ATOM 437 OD2 ASP A 28 4.248 15.701 5.710 1.00 0.00 O ATOM 0 H ASP A 28 4.761 11.104 4.853 1.00 0.00 H new ATOM 0 HA ASP A 28 3.633 12.355 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.781 12.928 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.843 13.540 4.585 1.00 0.00 H new ATOM 442 N SER A 29 1.943 12.627 4.349 1.00 0.00 N ATOM 443 CA SER A 29 0.687 13.094 3.782 1.00 0.00 C ATOM 444 C SER A 29 -0.513 12.498 4.525 1.00 0.00 C ATOM 445 O SER A 29 -1.598 13.076 4.529 1.00 0.00 O ATOM 446 CB SER A 29 0.621 12.741 2.296 1.00 0.00 C ATOM 447 OG SER A 29 1.753 13.242 1.602 1.00 0.00 O ATOM 0 H SER A 29 2.463 11.986 3.750 1.00 0.00 H new ATOM 0 HA SER A 29 0.645 14.177 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.568 11.659 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.289 13.154 1.861 1.00 0.00 H new ATOM 0 HG SER A 29 2.566 12.825 1.958 1.00 0.00 H new ATOM 453 N VAL A 30 -0.315 11.343 5.155 1.00 0.00 N ATOM 454 CA VAL A 30 -1.381 10.691 5.914 1.00 0.00 C ATOM 455 C VAL A 30 -1.070 10.683 7.412 1.00 0.00 C ATOM 456 O VAL A 30 -1.877 10.223 8.222 1.00 0.00 O ATOM 457 CB VAL A 30 -1.640 9.249 5.410 1.00 0.00 C ATOM 458 CG1 VAL A 30 -2.301 9.288 4.048 1.00 0.00 C ATOM 459 CG2 VAL A 30 -0.344 8.468 5.336 1.00 0.00 C ATOM 0 H VAL A 30 0.572 10.839 5.156 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.289 11.272 5.754 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.304 8.750 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.480 8.270 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.250 9.819 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.650 9.803 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.548 7.458 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.341 8.964 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.108 8.419 6.326 1.00 0.00 H new ATOM 469 N GLY A 31 0.105 11.187 7.768 1.00 0.00 N ATOM 470 CA GLY A 31 0.452 11.370 9.168 1.00 0.00 C ATOM 471 C GLY A 31 1.164 10.177 9.778 1.00 0.00 C ATOM 472 O GLY A 31 0.969 9.869 10.954 1.00 0.00 O ATOM 0 H GLY A 31 0.829 11.474 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.088 12.250 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.457 11.570 9.736 1.00 0.00 H new ATOM 476 N ILE A 32 1.987 9.501 8.992 1.00 0.00 N ATOM 477 CA ILE A 32 2.718 8.341 9.480 1.00 0.00 C ATOM 478 C ILE A 32 4.188 8.674 9.708 1.00 0.00 C ATOM 479 O ILE A 32 4.810 9.377 8.909 1.00 0.00 O ATOM 480 CB ILE A 32 2.606 7.174 8.489 1.00 0.00 C ATOM 481 CG1 ILE A 32 1.149 6.892 8.163 1.00 0.00 C ATOM 482 CG2 ILE A 32 3.269 5.923 9.039 1.00 0.00 C ATOM 483 CD1 ILE A 32 0.996 5.970 6.987 1.00 0.00 C ATOM 0 H ILE A 32 2.166 9.734 8.015 1.00 0.00 H new ATOM 0 HA ILE A 32 2.273 8.049 10.431 1.00 0.00 H new ATOM 0 HB ILE A 32 3.124 7.461 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.663 6.451 9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.637 7.832 7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.174 5.113 8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.325 6.122 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.785 5.635 9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.063 5.799 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.457 6.421 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.483 5.019 7.204 1.00 0.00 H new ATOM 495 N GLU A 33 4.727 8.169 10.807 1.00 0.00 N ATOM 496 CA GLU A 33 6.119 8.353 11.151 1.00 0.00 C ATOM 497 C GLU A 33 6.970 7.261 10.509 1.00 0.00 C ATOM 498 O GLU A 33 6.533 6.111 10.403 1.00 0.00 O ATOM 499 CB GLU A 33 6.281 8.326 12.667 1.00 0.00 C ATOM 500 CG GLU A 33 5.418 9.353 13.379 1.00 0.00 C ATOM 501 CD GLU A 33 5.454 9.203 14.882 1.00 0.00 C ATOM 502 OE1 GLU A 33 5.987 10.101 15.562 1.00 0.00 O ATOM 503 OE2 GLU A 33 4.934 8.190 15.392 1.00 0.00 O ATOM 0 H GLU A 33 4.203 7.617 11.486 1.00 0.00 H new ATOM 0 HA GLU A 33 6.455 9.319 10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.029 7.331 13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.327 8.503 12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.755 10.354 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.389 9.259 13.033 1.00 0.00 H new ATOM 510 N ALA A 34 8.179 7.608 10.086 1.00 0.00 N ATOM 511 CA ALA A 34 9.035 6.655 9.395 1.00 0.00 C ATOM 512 C ALA A 34 10.444 6.629 9.975 1.00 0.00 C ATOM 513 O ALA A 34 11.053 7.675 10.206 1.00 0.00 O ATOM 514 CB ALA A 34 9.083 6.969 7.906 1.00 0.00 C ATOM 0 H ALA A 34 8.586 8.535 10.208 1.00 0.00 H new ATOM 0 HA ALA A 34 8.603 5.665 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.727 6.248 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.078 6.910 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.479 7.974 7.759 1.00 0.00 H new ATOM 520 N ASP A 35 10.944 5.426 10.223 1.00 0.00 N ATOM 521 CA ASP A 35 12.317 5.234 10.683 1.00 0.00 C ATOM 522 C ASP A 35 13.205 4.874 9.505 1.00 0.00 C ATOM 523 O ASP A 35 12.909 3.914 8.800 1.00 0.00 O ATOM 524 CB ASP A 35 12.408 4.111 11.722 1.00 0.00 C ATOM 525 CG ASP A 35 11.458 4.290 12.884 1.00 0.00 C ATOM 526 OD1 ASP A 35 10.344 3.732 12.830 1.00 0.00 O ATOM 527 OD2 ASP A 35 11.825 4.975 13.859 1.00 0.00 O ATOM 0 H ASP A 35 10.416 4.560 10.113 1.00 0.00 H new ATOM 0 HA ASP A 35 12.646 6.166 11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.200 3.158 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.429 4.059 12.101 1.00 0.00 H new ATOM 532 N ASP A 36 14.274 5.638 9.290 1.00 0.00 N ATOM 533 CA ASP A 36 15.129 5.472 8.103 1.00 0.00 C ATOM 534 C ASP A 36 15.489 4.015 7.838 1.00 0.00 C ATOM 535 O ASP A 36 15.184 3.477 6.769 1.00 0.00 O ATOM 536 CB ASP A 36 16.424 6.276 8.242 1.00 0.00 C ATOM 537 CG ASP A 36 16.247 7.739 7.919 1.00 0.00 C ATOM 538 OD1 ASP A 36 16.353 8.107 6.730 1.00 0.00 O ATOM 539 OD2 ASP A 36 16.003 8.533 8.849 1.00 0.00 O ATOM 0 H ASP A 36 14.574 6.381 9.920 1.00 0.00 H new ATOM 0 HA ASP A 36 14.545 5.842 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.799 6.177 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.181 5.853 7.581 1.00 0.00 H new ATOM 544 N ASP A 37 16.127 3.385 8.818 1.00 0.00 N ATOM 545 CA ASP A 37 16.628 2.022 8.662 1.00 0.00 C ATOM 546 C ASP A 37 15.489 1.037 8.426 1.00 0.00 C ATOM 547 O ASP A 37 15.530 0.248 7.483 1.00 0.00 O ATOM 548 CB ASP A 37 17.454 1.604 9.890 1.00 0.00 C ATOM 549 CG ASP A 37 16.634 1.453 11.160 1.00 0.00 C ATOM 550 OD1 ASP A 37 16.642 0.351 11.751 1.00 0.00 O ATOM 551 OD2 ASP A 37 15.975 2.434 11.572 1.00 0.00 O ATOM 0 H ASP A 37 16.311 3.797 9.733 1.00 0.00 H new ATOM 0 HA ASP A 37 17.275 2.004 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.952 0.658 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.235 2.345 10.059 1.00 0.00 H new ATOM 556 N ARG A 38 14.472 1.103 9.268 1.00 0.00 N ATOM 557 CA ARG A 38 13.323 0.219 9.174 1.00 0.00 C ATOM 558 C ARG A 38 12.598 0.398 7.842 1.00 0.00 C ATOM 559 O ARG A 38 12.149 -0.570 7.233 1.00 0.00 O ATOM 560 CB ARG A 38 12.378 0.501 10.337 1.00 0.00 C ATOM 561 CG ARG A 38 11.133 -0.358 10.333 1.00 0.00 C ATOM 562 CD ARG A 38 11.463 -1.829 10.467 1.00 0.00 C ATOM 563 NE ARG A 38 12.327 -2.092 11.617 1.00 0.00 N ATOM 564 CZ ARG A 38 12.983 -3.229 11.808 1.00 0.00 C ATOM 565 NH1 ARG A 38 12.811 -4.247 10.976 1.00 0.00 N ATOM 566 NH2 ARG A 38 13.798 -3.356 12.847 1.00 0.00 N ATOM 0 H ARG A 38 14.420 1.771 10.037 1.00 0.00 H new ATOM 0 HA ARG A 38 13.667 -0.814 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.913 0.345 11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.084 1.550 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.481 -0.056 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.580 -0.192 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.540 -2.400 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.954 -2.175 9.557 1.00 0.00 H new ATOM 0 HE ARG A 38 12.432 -1.356 12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.172 -4.157 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.317 -5.120 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.920 -2.580 13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.303 -4.230 12.995 1.00 0.00 H new ATOM 580 N LEU A 39 12.501 1.638 7.400 1.00 0.00 N ATOM 581 CA LEU A 39 11.856 1.968 6.138 1.00 0.00 C ATOM 582 C LEU A 39 12.608 1.356 4.964 1.00 0.00 C ATOM 583 O LEU A 39 12.033 0.596 4.184 1.00 0.00 O ATOM 584 CB LEU A 39 11.760 3.493 6.012 1.00 0.00 C ATOM 585 CG LEU A 39 11.633 4.067 4.602 1.00 0.00 C ATOM 586 CD1 LEU A 39 10.497 3.411 3.833 1.00 0.00 C ATOM 587 CD2 LEU A 39 11.424 5.567 4.689 1.00 0.00 C ATOM 0 H LEU A 39 12.866 2.446 7.904 1.00 0.00 H new ATOM 0 HA LEU A 39 10.851 1.547 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.900 3.827 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.646 3.927 6.476 1.00 0.00 H new ATOM 0 HG LEU A 39 12.554 3.858 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.436 3.844 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.682 2.340 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.557 3.578 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.333 5.981 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.514 5.776 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.275 6.024 5.194 1.00 0.00 H new ATOM 599 N ASN A 40 13.892 1.665 4.851 1.00 0.00 N ATOM 600 CA ASN A 40 14.710 1.112 3.776 1.00 0.00 C ATOM 601 C ASN A 40 14.739 -0.408 3.866 1.00 0.00 C ATOM 602 O ASN A 40 14.872 -1.089 2.857 1.00 0.00 O ATOM 603 CB ASN A 40 16.141 1.655 3.834 1.00 0.00 C ATOM 604 CG ASN A 40 16.257 3.087 3.345 1.00 0.00 C ATOM 605 OD1 ASN A 40 16.475 3.333 2.160 1.00 0.00 O ATOM 606 ND2 ASN A 40 16.127 4.040 4.254 1.00 0.00 N ATOM 0 H ASN A 40 14.389 2.291 5.485 1.00 0.00 H new ATOM 0 HA ASN A 40 14.263 1.413 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.503 1.598 4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.789 1.018 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.207 5.020 3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.946 3.795 5.228 1.00 0.00 H new ATOM 613 N LYS A 41 14.601 -0.928 5.081 1.00 0.00 N ATOM 614 CA LYS A 41 14.580 -2.362 5.309 1.00 0.00 C ATOM 615 C LYS A 41 13.332 -2.983 4.697 1.00 0.00 C ATOM 616 O LYS A 41 13.417 -3.961 3.961 1.00 0.00 O ATOM 617 CB LYS A 41 14.626 -2.655 6.809 1.00 0.00 C ATOM 618 CG LYS A 41 15.034 -4.076 7.139 1.00 0.00 C ATOM 619 CD LYS A 41 16.467 -4.345 6.708 1.00 0.00 C ATOM 620 CE LYS A 41 16.902 -5.760 7.046 1.00 0.00 C ATOM 621 NZ LYS A 41 18.320 -5.999 6.680 1.00 0.00 N ATOM 0 H LYS A 41 14.501 -0.369 5.928 1.00 0.00 H new ATOM 0 HA LYS A 41 15.456 -2.801 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.325 -1.966 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.644 -2.459 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.935 -4.247 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.363 -4.776 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.560 -4.183 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.133 -3.634 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.766 -5.938 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.265 -6.472 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.582 -6.975 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.444 -5.854 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.929 -5.336 7.200 1.00 0.00 H new ATOM 635 N VAL A 42 12.179 -2.399 4.998 1.00 0.00 N ATOM 636 CA VAL A 42 10.912 -2.863 4.449 1.00 0.00 C ATOM 637 C VAL A 42 10.905 -2.748 2.926 1.00 0.00 C ATOM 638 O VAL A 42 10.445 -3.642 2.214 1.00 0.00 O ATOM 639 CB VAL A 42 9.738 -2.056 5.034 1.00 0.00 C ATOM 640 CG1 VAL A 42 8.435 -2.430 4.355 1.00 0.00 C ATOM 641 CG2 VAL A 42 9.643 -2.288 6.531 1.00 0.00 C ATOM 0 H VAL A 42 12.096 -1.598 5.624 1.00 0.00 H new ATOM 0 HA VAL A 42 10.795 -3.911 4.724 1.00 0.00 H new ATOM 0 HB VAL A 42 9.921 -0.997 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.620 -1.847 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.508 -2.220 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.239 -3.492 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.810 -1.713 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.481 -3.348 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.570 -1.969 7.008 1.00 0.00 H new ATOM 651 N ILE A 43 11.430 -1.644 2.439 1.00 0.00 N ATOM 652 CA ILE A 43 11.583 -1.427 1.020 1.00 0.00 C ATOM 653 C ILE A 43 12.502 -2.478 0.412 1.00 0.00 C ATOM 654 O ILE A 43 12.254 -3.010 -0.671 1.00 0.00 O ATOM 655 CB ILE A 43 12.141 -0.040 0.798 1.00 0.00 C ATOM 656 CG1 ILE A 43 11.050 0.947 1.201 1.00 0.00 C ATOM 657 CG2 ILE A 43 12.587 0.152 -0.642 1.00 0.00 C ATOM 658 CD1 ILE A 43 11.044 2.180 0.372 1.00 0.00 C ATOM 0 H ILE A 43 11.762 -0.873 3.018 1.00 0.00 H new ATOM 0 HA ILE A 43 10.613 -1.513 0.531 1.00 0.00 H new ATOM 0 HB ILE A 43 13.033 0.123 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.079 0.458 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.184 1.221 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.983 1.159 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.362 -0.576 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.736 0.010 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.245 2.841 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.003 2.690 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.880 1.915 -0.673 1.00 0.00 H new ATOM 670 N SER A 44 13.550 -2.789 1.150 1.00 0.00 N ATOM 671 CA SER A 44 14.543 -3.750 0.718 1.00 0.00 C ATOM 672 C SER A 44 13.987 -5.174 0.741 1.00 0.00 C ATOM 673 O SER A 44 14.326 -5.984 -0.124 1.00 0.00 O ATOM 674 CB SER A 44 15.780 -3.638 1.607 1.00 0.00 C ATOM 675 OG SER A 44 16.843 -4.449 1.128 1.00 0.00 O ATOM 0 H SER A 44 13.736 -2.382 2.066 1.00 0.00 H new ATOM 0 HA SER A 44 14.819 -3.526 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.105 -2.599 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.526 -3.934 2.625 1.00 0.00 H new ATOM 0 HG SER A 44 17.619 -4.353 1.718 1.00 0.00 H new ATOM 681 N GLU A 45 13.133 -5.486 1.720 1.00 0.00 N ATOM 682 CA GLU A 45 12.537 -6.814 1.790 1.00 0.00 C ATOM 683 C GLU A 45 11.552 -6.993 0.639 1.00 0.00 C ATOM 684 O GLU A 45 11.467 -8.073 0.045 1.00 0.00 O ATOM 685 CB GLU A 45 11.879 -7.078 3.150 1.00 0.00 C ATOM 686 CG GLU A 45 10.574 -6.361 3.329 1.00 0.00 C ATOM 687 CD GLU A 45 9.877 -6.671 4.645 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.697 -5.745 5.467 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.495 -7.843 4.862 1.00 0.00 O ATOM 0 H GLU A 45 12.845 -4.847 2.461 1.00 0.00 H new ATOM 0 HA GLU A 45 13.330 -7.555 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.715 -8.150 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.564 -6.774 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.749 -5.287 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.910 -6.625 2.506 1.00 0.00 H new ATOM 696 N LEU A 46 10.836 -5.917 0.310 1.00 0.00 N ATOM 697 CA LEU A 46 9.963 -5.895 -0.862 1.00 0.00 C ATOM 698 C LEU A 46 10.759 -6.083 -2.148 1.00 0.00 C ATOM 699 O LEU A 46 10.326 -6.789 -3.053 1.00 0.00 O ATOM 700 CB LEU A 46 9.207 -4.575 -0.941 1.00 0.00 C ATOM 701 CG LEU A 46 8.003 -4.453 -0.019 1.00 0.00 C ATOM 702 CD1 LEU A 46 7.521 -3.025 -0.001 1.00 0.00 C ATOM 703 CD2 LEU A 46 6.882 -5.381 -0.465 1.00 0.00 C ATOM 0 H LEU A 46 10.845 -5.047 0.842 1.00 0.00 H new ATOM 0 HA LEU A 46 9.258 -6.719 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.900 -3.765 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.872 -4.429 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 46 8.303 -4.745 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.659 -2.940 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.319 -2.376 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.236 -2.724 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.032 -5.276 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.575 -5.121 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.234 -6.412 -0.446 1.00 0.00 H new ATOM 715 N ASN A 47 11.914 -5.429 -2.223 1.00 0.00 N ATOM 716 CA ASN A 47 12.758 -5.485 -3.417 1.00 0.00 C ATOM 717 C ASN A 47 13.348 -6.884 -3.605 1.00 0.00 C ATOM 718 O ASN A 47 13.593 -7.320 -4.732 1.00 0.00 O ATOM 719 CB ASN A 47 13.886 -4.452 -3.316 1.00 0.00 C ATOM 720 CG ASN A 47 14.643 -4.274 -4.622 1.00 0.00 C ATOM 721 OD1 ASN A 47 14.074 -4.372 -5.708 1.00 0.00 O ATOM 722 ND2 ASN A 47 15.934 -3.995 -4.526 1.00 0.00 N ATOM 0 H ASN A 47 12.290 -4.852 -1.470 1.00 0.00 H new ATOM 0 HA ASN A 47 12.137 -5.254 -4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.467 -3.493 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.583 -4.758 -2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.489 -3.854 -5.370 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.373 -3.921 -3.608 1.00 0.00 H new ATOM 729 N GLY A 48 13.581 -7.579 -2.497 1.00 0.00 N ATOM 730 CA GLY A 48 14.133 -8.920 -2.564 1.00 0.00 C ATOM 731 C GLY A 48 13.089 -9.957 -2.936 1.00 0.00 C ATOM 732 O GLY A 48 13.368 -10.895 -3.683 1.00 0.00 O ATOM 0 H GLY A 48 13.398 -7.238 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.940 -8.942 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.571 -9.179 -1.600 1.00 0.00 H new ATOM 736 N LYS A 49 11.885 -9.788 -2.411 1.00 0.00 N ATOM 737 CA LYS A 49 10.779 -10.689 -2.711 1.00 0.00 C ATOM 738 C LYS A 49 9.828 -10.036 -3.698 1.00 0.00 C ATOM 739 O LYS A 49 10.221 -9.163 -4.470 1.00 0.00 O ATOM 740 CB LYS A 49 10.022 -11.053 -1.426 1.00 0.00 C ATOM 741 CG LYS A 49 10.807 -11.953 -0.486 1.00 0.00 C ATOM 742 CD LYS A 49 11.088 -13.302 -1.127 1.00 0.00 C ATOM 743 CE LYS A 49 11.871 -14.213 -0.199 1.00 0.00 C ATOM 744 NZ LYS A 49 12.137 -15.536 -0.820 1.00 0.00 N ATOM 0 H LYS A 49 11.647 -9.031 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 49 11.184 -11.600 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.757 -10.136 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.089 -11.548 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.747 -11.472 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.247 -12.096 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.146 -13.780 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.647 -13.156 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.816 -13.738 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.315 -14.352 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.674 -16.130 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.235 -16.000 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.689 -15.406 -1.692 1.00 0.00 H new ATOM 758 N ASN A 50 8.585 -10.483 -3.695 1.00 0.00 N ATOM 759 CA ASN A 50 7.538 -9.775 -4.400 1.00 0.00 C ATOM 760 C ASN A 50 6.747 -8.966 -3.392 1.00 0.00 C ATOM 761 O ASN A 50 6.800 -9.258 -2.192 1.00 0.00 O ATOM 762 CB ASN A 50 6.606 -10.727 -5.158 1.00 0.00 C ATOM 763 CG ASN A 50 7.337 -11.621 -6.134 1.00 0.00 C ATOM 764 OD1 ASN A 50 7.642 -11.223 -7.258 1.00 0.00 O ATOM 765 ND2 ASN A 50 7.586 -12.852 -5.724 1.00 0.00 N ATOM 0 H ASN A 50 8.279 -11.329 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 50 7.997 -9.124 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.067 -11.346 -4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.861 -10.143 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.048 -13.514 -6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.316 -13.141 -4.784 1.00 0.00 H new ATOM 772 N ILE A 51 6.030 -7.959 -3.850 1.00 0.00 N ATOM 773 CA ILE A 51 5.267 -7.114 -2.948 1.00 0.00 C ATOM 774 C ILE A 51 4.241 -7.951 -2.197 1.00 0.00 C ATOM 775 O ILE A 51 4.209 -7.937 -0.972 1.00 0.00 O ATOM 776 CB ILE A 51 4.594 -5.945 -3.692 1.00 0.00 C ATOM 777 CG1 ILE A 51 5.547 -4.754 -3.856 1.00 0.00 C ATOM 778 CG2 ILE A 51 3.338 -5.475 -2.995 1.00 0.00 C ATOM 779 CD1 ILE A 51 6.922 -5.099 -4.390 1.00 0.00 C ATOM 0 H ILE A 51 5.959 -7.705 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 51 5.957 -6.675 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 51 4.327 -6.331 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.085 -4.029 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.662 -4.265 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.898 -4.650 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.624 -6.297 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.585 -5.139 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.520 -4.191 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.411 -5.797 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.826 -5.557 -5.374 1.00 0.00 H new ATOM 791 N GLU A 52 3.467 -8.733 -2.942 1.00 0.00 N ATOM 792 CA GLU A 52 2.388 -9.540 -2.375 1.00 0.00 C ATOM 793 C GLU A 52 2.921 -10.487 -1.307 1.00 0.00 C ATOM 794 O GLU A 52 2.290 -10.687 -0.272 1.00 0.00 O ATOM 795 CB GLU A 52 1.688 -10.382 -3.450 1.00 0.00 C ATOM 796 CG GLU A 52 1.763 -9.813 -4.855 1.00 0.00 C ATOM 797 CD GLU A 52 3.109 -10.060 -5.506 1.00 0.00 C ATOM 798 OE1 GLU A 52 3.903 -9.104 -5.598 1.00 0.00 O ATOM 799 OE2 GLU A 52 3.386 -11.211 -5.897 1.00 0.00 O ATOM 0 H GLU A 52 3.568 -8.827 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 52 1.675 -8.842 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.128 -11.379 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.639 -10.497 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.979 -10.259 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.570 -8.741 -4.821 1.00 0.00 H new ATOM 806 N ASP A 53 4.085 -11.075 -1.575 1.00 0.00 N ATOM 807 CA ASP A 53 4.711 -12.002 -0.636 1.00 0.00 C ATOM 808 C ASP A 53 5.041 -11.282 0.654 1.00 0.00 C ATOM 809 O ASP A 53 4.605 -11.684 1.731 1.00 0.00 O ATOM 810 CB ASP A 53 5.999 -12.608 -1.213 1.00 0.00 C ATOM 811 CG ASP A 53 5.769 -13.500 -2.415 1.00 0.00 C ATOM 812 OD1 ASP A 53 6.643 -13.528 -3.309 1.00 0.00 O ATOM 813 OD2 ASP A 53 4.725 -14.184 -2.466 1.00 0.00 O ATOM 0 H ASP A 53 4.613 -10.926 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 53 4.003 -12.809 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.675 -11.801 -1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.499 -13.185 -0.435 1.00 0.00 H new ATOM 818 N VAL A 54 5.798 -10.200 0.531 1.00 0.00 N ATOM 819 CA VAL A 54 6.173 -9.389 1.676 1.00 0.00 C ATOM 820 C VAL A 54 4.931 -8.859 2.391 1.00 0.00 C ATOM 821 O VAL A 54 4.905 -8.754 3.617 1.00 0.00 O ATOM 822 CB VAL A 54 7.104 -8.238 1.247 1.00 0.00 C ATOM 823 CG1 VAL A 54 7.192 -7.163 2.320 1.00 0.00 C ATOM 824 CG2 VAL A 54 8.485 -8.785 0.934 1.00 0.00 C ATOM 0 H VAL A 54 6.166 -9.864 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 54 6.721 -10.017 2.379 1.00 0.00 H new ATOM 0 HB VAL A 54 6.686 -7.777 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.857 -6.367 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.200 -6.753 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.583 -7.598 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.140 -7.968 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.894 -9.269 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.414 -9.512 0.125 1.00 0.00 H new ATOM 834 N ILE A 55 3.901 -8.549 1.618 1.00 0.00 N ATOM 835 CA ILE A 55 2.608 -8.176 2.161 1.00 0.00 C ATOM 836 C ILE A 55 2.023 -9.276 3.030 1.00 0.00 C ATOM 837 O ILE A 55 1.821 -9.105 4.230 1.00 0.00 O ATOM 838 CB ILE A 55 1.606 -7.886 1.029 1.00 0.00 C ATOM 839 CG1 ILE A 55 2.016 -6.602 0.300 1.00 0.00 C ATOM 840 CG2 ILE A 55 0.194 -7.790 1.597 1.00 0.00 C ATOM 841 CD1 ILE A 55 1.375 -5.371 0.854 1.00 0.00 C ATOM 0 H ILE A 55 3.940 -8.550 0.599 1.00 0.00 H new ATOM 0 HA ILE A 55 2.771 -7.284 2.766 1.00 0.00 H new ATOM 0 HB ILE A 55 1.614 -8.701 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.099 -6.493 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.757 -6.694 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.510 -7.585 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.070 -8.732 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.151 -6.984 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.711 -4.501 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.291 -5.458 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.655 -5.255 1.901 1.00 0.00 H new ATOM 853 N ALA A 56 1.787 -10.413 2.415 1.00 0.00 N ATOM 854 CA ALA A 56 1.040 -11.476 3.045 1.00 0.00 C ATOM 855 C ALA A 56 1.844 -12.119 4.176 1.00 0.00 C ATOM 856 O ALA A 56 1.299 -12.829 5.018 1.00 0.00 O ATOM 857 CB ALA A 56 0.621 -12.470 1.981 1.00 0.00 C ATOM 0 H ALA A 56 2.106 -10.625 1.470 1.00 0.00 H new ATOM 0 HA ALA A 56 0.140 -11.077 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.055 -13.280 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.001 -11.969 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.507 -12.878 1.495 1.00 0.00 H new ATOM 863 N GLN A 57 3.143 -11.853 4.187 1.00 0.00 N ATOM 864 CA GLN A 57 4.000 -12.241 5.301 1.00 0.00 C ATOM 865 C GLN A 57 4.031 -11.151 6.373 1.00 0.00 C ATOM 866 O GLN A 57 3.926 -11.435 7.565 1.00 0.00 O ATOM 867 CB GLN A 57 5.430 -12.500 4.821 1.00 0.00 C ATOM 868 CG GLN A 57 5.558 -13.666 3.858 1.00 0.00 C ATOM 869 CD GLN A 57 6.991 -13.903 3.420 1.00 0.00 C ATOM 870 OE1 GLN A 57 7.788 -12.845 3.373 1.00 0.00 O flip ATOM 871 NE2 GLN A 57 7.384 -15.034 3.136 1.00 0.00 N flip ATOM 0 H GLN A 57 3.629 -11.368 3.433 1.00 0.00 H new ATOM 0 HA GLN A 57 3.586 -13.155 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.808 -11.600 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.065 -12.687 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.172 -14.569 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.940 -13.478 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.741 -15.824 3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.353 -15.181 2.853 1.00 0.00 H new ATOM 880 N GLY A 58 4.168 -9.906 5.937 1.00 0.00 N ATOM 881 CA GLY A 58 4.385 -8.804 6.859 1.00 0.00 C ATOM 882 C GLY A 58 3.123 -8.327 7.551 1.00 0.00 C ATOM 883 O GLY A 58 3.114 -8.150 8.771 1.00 0.00 O ATOM 0 H GLY A 58 4.133 -9.636 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.108 -9.112 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.828 -7.969 6.315 1.00 0.00 H new ATOM 887 N ILE A 59 2.058 -8.110 6.783 1.00 0.00 N ATOM 888 CA ILE A 59 0.806 -7.608 7.344 1.00 0.00 C ATOM 889 C ILE A 59 0.237 -8.616 8.337 1.00 0.00 C ATOM 890 O ILE A 59 -0.253 -8.249 9.410 1.00 0.00 O ATOM 891 CB ILE A 59 -0.268 -7.293 6.260 1.00 0.00 C ATOM 892 CG1 ILE A 59 0.095 -6.054 5.433 1.00 0.00 C ATOM 893 CG2 ILE A 59 -1.622 -7.078 6.909 1.00 0.00 C ATOM 894 CD1 ILE A 59 1.303 -6.208 4.541 1.00 0.00 C ATOM 0 H ILE A 59 2.036 -8.273 5.776 1.00 0.00 H new ATOM 0 HA ILE A 59 1.046 -6.670 7.845 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.306 -8.151 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.762 -5.786 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.270 -5.221 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.363 -6.859 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.914 -7.979 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.563 -6.241 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.476 -5.278 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.177 -6.442 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.129 -7.015 3.830 1.00 0.00 H new ATOM 1060 N ARG B 2 -4.255 -0.726 -7.149 1.00 0.00 N ATOM 1061 CA ARG B 2 -4.159 0.714 -7.379 1.00 0.00 C ATOM 1062 C ARG B 2 -4.556 1.527 -6.144 1.00 0.00 C ATOM 1063 O ARG B 2 -3.915 2.524 -5.820 1.00 0.00 O ATOM 1064 CB ARG B 2 -5.037 1.111 -8.572 1.00 0.00 C ATOM 1065 CG ARG B 2 -5.003 2.599 -8.891 1.00 0.00 C ATOM 1066 CD ARG B 2 -3.623 3.046 -9.348 1.00 0.00 C ATOM 1067 NE ARG B 2 -3.326 2.628 -10.719 1.00 0.00 N ATOM 1068 CZ ARG B 2 -2.282 3.068 -11.422 1.00 0.00 C ATOM 1069 NH1 ARG B 2 -1.428 3.930 -10.886 1.00 0.00 N ATOM 1070 NH2 ARG B 2 -2.102 2.651 -12.668 1.00 0.00 N ATOM 0 HA ARG B 2 -3.115 0.941 -7.595 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.714 0.553 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.066 0.816 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.733 2.821 -9.669 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -5.295 3.167 -8.008 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -3.555 4.132 -9.279 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.870 2.636 -8.675 1.00 0.00 H new ATOM 0 HE ARG B 2 -3.956 1.960 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.568 4.260 -9.931 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -0.631 4.263 -11.429 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.762 1.995 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.304 2.986 -13.208 1.00 0.00 H new ATOM 1084 N TYR B 3 -5.603 1.103 -5.452 1.00 0.00 N ATOM 1085 CA TYR B 3 -6.107 1.871 -4.318 1.00 0.00 C ATOM 1086 C TYR B 3 -5.748 1.239 -2.985 1.00 0.00 C ATOM 1087 O TYR B 3 -5.969 1.841 -1.940 1.00 0.00 O ATOM 1088 CB TYR B 3 -7.616 2.036 -4.431 1.00 0.00 C ATOM 1089 CG TYR B 3 -8.018 2.535 -5.789 1.00 0.00 C ATOM 1090 CD1 TYR B 3 -7.819 3.858 -6.145 1.00 0.00 C ATOM 1091 CD2 TYR B 3 -8.551 1.675 -6.730 1.00 0.00 C ATOM 1092 CE1 TYR B 3 -8.143 4.312 -7.397 1.00 0.00 C ATOM 1093 CE2 TYR B 3 -8.884 2.123 -7.984 1.00 0.00 C ATOM 1094 CZ TYR B 3 -8.678 3.440 -8.318 1.00 0.00 C ATOM 1095 OH TYR B 3 -9.007 3.884 -9.579 1.00 0.00 O ATOM 0 H TYR B 3 -6.116 0.244 -5.650 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.627 2.849 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -8.103 1.080 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -7.964 2.733 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -7.401 4.544 -5.423 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.708 0.637 -6.476 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.980 5.347 -7.659 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -9.307 1.442 -8.707 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.371 3.140 -10.103 1.00 0.00 H new ATOM 1105 N VAL B 4 -5.183 0.041 -3.018 1.00 0.00 N ATOM 1106 CA VAL B 4 -4.797 -0.638 -1.786 1.00 0.00 C ATOM 1107 C VAL B 4 -3.622 0.079 -1.143 1.00 0.00 C ATOM 1108 O VAL B 4 -3.498 0.123 0.075 1.00 0.00 O ATOM 1109 CB VAL B 4 -4.441 -2.122 -2.033 1.00 0.00 C ATOM 1110 CG1 VAL B 4 -3.958 -2.798 -0.763 1.00 0.00 C ATOM 1111 CG2 VAL B 4 -5.641 -2.857 -2.570 1.00 0.00 C ATOM 0 H VAL B 4 -4.983 -0.478 -3.873 1.00 0.00 H new ATOM 0 HA VAL B 4 -5.654 -0.612 -1.112 1.00 0.00 H new ATOM 0 HB VAL B 4 -3.632 -2.152 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL B 4 -3.717 -3.840 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL B 4 -3.068 -2.287 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL B 4 -4.741 -2.753 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL B 4 -5.381 -3.902 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL B 4 -6.456 -2.799 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL B 4 -5.955 -2.403 -3.510 1.00 0.00 H new ATOM 1121 N ALA B 5 -2.786 0.669 -1.976 1.00 0.00 N ATOM 1122 CA ALA B 5 -1.636 1.424 -1.510 1.00 0.00 C ATOM 1123 C ALA B 5 -2.058 2.577 -0.598 1.00 0.00 C ATOM 1124 O ALA B 5 -1.610 2.689 0.550 1.00 0.00 O ATOM 1125 CB ALA B 5 -0.886 1.956 -2.712 1.00 0.00 C ATOM 0 H ALA B 5 -2.883 0.639 -2.991 1.00 0.00 H new ATOM 0 HA ALA B 5 -0.993 0.765 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -0.019 2.526 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -0.555 1.123 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -1.543 2.603 -3.293 1.00 0.00 H new ATOM 1131 N SER B 6 -2.945 3.416 -1.113 1.00 0.00 N ATOM 1132 CA SER B 6 -3.443 4.559 -0.371 1.00 0.00 C ATOM 1133 C SER B 6 -4.367 4.106 0.748 1.00 0.00 C ATOM 1134 O SER B 6 -4.375 4.687 1.833 1.00 0.00 O ATOM 1135 CB SER B 6 -4.163 5.506 -1.325 1.00 0.00 C ATOM 1136 OG SER B 6 -4.788 4.778 -2.369 1.00 0.00 O ATOM 0 H SER B 6 -3.336 3.323 -2.051 1.00 0.00 H new ATOM 0 HA SER B 6 -2.606 5.087 0.085 1.00 0.00 H new ATOM 0 HB2 SER B 6 -4.909 6.084 -0.779 1.00 0.00 H new ATOM 0 HB3 SER B 6 -3.453 6.218 -1.745 1.00 0.00 H new ATOM 0 HG SER B 6 -5.225 3.983 -1.998 1.00 0.00 H new ATOM 1142 N TYR B 7 -5.138 3.060 0.472 1.00 0.00 N ATOM 1143 CA TYR B 7 -5.997 2.449 1.474 1.00 0.00 C ATOM 1144 C TYR B 7 -5.166 2.048 2.694 1.00 0.00 C ATOM 1145 O TYR B 7 -5.509 2.375 3.836 1.00 0.00 O ATOM 1146 CB TYR B 7 -6.703 1.226 0.871 1.00 0.00 C ATOM 1147 CG TYR B 7 -7.515 0.426 1.855 1.00 0.00 C ATOM 1148 CD1 TYR B 7 -6.967 -0.671 2.506 1.00 0.00 C ATOM 1149 CD2 TYR B 7 -8.827 0.767 2.128 1.00 0.00 C ATOM 1150 CE1 TYR B 7 -7.713 -1.406 3.409 1.00 0.00 C ATOM 1151 CE2 TYR B 7 -9.583 0.040 3.025 1.00 0.00 C ATOM 1152 CZ TYR B 7 -9.021 -1.049 3.665 1.00 0.00 C ATOM 1153 OH TYR B 7 -9.766 -1.775 4.566 1.00 0.00 O ATOM 0 H TYR B 7 -5.184 2.616 -0.445 1.00 0.00 H new ATOM 0 HA TYR B 7 -6.754 3.166 1.793 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -7.357 1.560 0.066 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -5.953 0.574 0.423 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -5.944 -0.954 2.304 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -9.268 1.618 1.630 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -7.274 -2.255 3.911 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -10.607 0.320 3.226 1.00 0.00 H new ATOM 0 HH TYR B 7 -10.665 -1.391 4.631 1.00 0.00 H new ATOM 1163 N LEU B 8 -4.057 1.358 2.435 1.00 0.00 N ATOM 1164 CA LEU B 8 -3.149 0.944 3.493 1.00 0.00 C ATOM 1165 C LEU B 8 -2.629 2.156 4.258 1.00 0.00 C ATOM 1166 O LEU B 8 -2.805 2.237 5.470 1.00 0.00 O ATOM 1167 CB LEU B 8 -1.966 0.143 2.935 1.00 0.00 C ATOM 1168 CG LEU B 8 -2.042 -1.372 3.111 1.00 0.00 C ATOM 1169 CD1 LEU B 8 -3.189 -1.941 2.309 1.00 0.00 C ATOM 1170 CD2 LEU B 8 -0.728 -2.014 2.694 1.00 0.00 C ATOM 0 H LEU B 8 -3.769 1.075 1.498 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.711 0.302 4.172 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.874 0.361 1.871 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.054 0.499 3.413 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.219 -1.593 4.164 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -3.228 -3.022 2.446 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.125 -1.498 2.648 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.042 -1.714 1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.794 -3.094 2.824 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.528 -1.786 1.647 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.080 -1.623 3.312 1.00 0.00 H new ATOM 1182 N LEU B 9 -1.992 3.094 3.548 1.00 0.00 N ATOM 1183 CA LEU B 9 -1.454 4.305 4.179 1.00 0.00 C ATOM 1184 C LEU B 9 -2.481 4.982 5.081 1.00 0.00 C ATOM 1185 O LEU B 9 -2.183 5.325 6.225 1.00 0.00 O ATOM 1186 CB LEU B 9 -0.996 5.319 3.132 1.00 0.00 C ATOM 1187 CG LEU B 9 0.435 5.162 2.634 1.00 0.00 C ATOM 1188 CD1 LEU B 9 0.735 6.218 1.608 1.00 0.00 C ATOM 1189 CD2 LEU B 9 1.429 5.278 3.769 1.00 0.00 C ATOM 0 H LEU B 9 -1.837 3.039 2.541 1.00 0.00 H new ATOM 0 HA LEU B 9 -0.605 3.981 4.780 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.667 5.256 2.275 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.107 6.319 3.551 1.00 0.00 H new ATOM 0 HG LEU B 9 0.528 4.170 2.191 1.00 0.00 H new ATOM 0 HD11 LEU B 9 1.760 6.102 1.255 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.048 6.115 0.768 1.00 0.00 H new ATOM 0 HD13 LEU B 9 0.615 7.205 2.056 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.441 5.161 3.380 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.332 6.256 4.239 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.232 4.500 4.506 1.00 0.00 H new ATOM 1201 N ALA B 10 -3.685 5.178 4.557 1.00 0.00 N ATOM 1202 CA ALA B 10 -4.742 5.840 5.307 1.00 0.00 C ATOM 1203 C ALA B 10 -5.071 5.064 6.581 1.00 0.00 C ATOM 1204 O ALA B 10 -5.329 5.656 7.631 1.00 0.00 O ATOM 1205 CB ALA B 10 -5.987 5.999 4.446 1.00 0.00 C ATOM 0 H ALA B 10 -3.952 4.888 3.616 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.388 6.831 5.592 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.767 6.496 5.023 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.748 6.598 3.568 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -6.339 5.017 4.130 1.00 0.00 H new ATOM 1211 N ALA B 11 -5.042 3.734 6.483 1.00 0.00 N ATOM 1212 CA ALA B 11 -5.292 2.871 7.630 1.00 0.00 C ATOM 1213 C ALA B 11 -4.209 3.048 8.688 1.00 0.00 C ATOM 1214 O ALA B 11 -4.492 3.096 9.887 1.00 0.00 O ATOM 1215 CB ALA B 11 -5.359 1.415 7.187 1.00 0.00 C ATOM 0 H ALA B 11 -4.847 3.233 5.616 1.00 0.00 H new ATOM 0 HA ALA B 11 -6.249 3.153 8.068 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.546 0.780 8.053 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.166 1.291 6.465 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.413 1.131 6.726 1.00 0.00 H new ATOM 1221 N LEU B 12 -2.970 3.172 8.231 1.00 0.00 N ATOM 1222 CA LEU B 12 -1.823 3.279 9.129 1.00 0.00 C ATOM 1223 C LEU B 12 -1.758 4.669 9.750 1.00 0.00 C ATOM 1224 O LEU B 12 -1.052 4.889 10.732 1.00 0.00 O ATOM 1225 CB LEU B 12 -0.523 2.995 8.372 1.00 0.00 C ATOM 1226 CG LEU B 12 -0.623 1.927 7.283 1.00 0.00 C ATOM 1227 CD1 LEU B 12 0.720 1.716 6.615 1.00 0.00 C ATOM 1228 CD2 LEU B 12 -1.173 0.620 7.836 1.00 0.00 C ATOM 0 H LEU B 12 -2.731 3.201 7.240 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.943 2.541 9.922 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.176 3.923 7.917 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.237 2.688 9.090 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.325 2.283 6.529 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.626 0.952 5.843 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.052 2.650 6.162 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.449 1.394 7.358 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.231 -0.118 7.036 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.514 0.252 8.622 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.168 0.789 8.247 1.00 0.00 H new ATOM 1240 N GLY B 13 -2.497 5.605 9.163 1.00 0.00 N ATOM 1241 CA GLY B 13 -2.538 6.959 9.679 1.00 0.00 C ATOM 1242 C GLY B 13 -3.465 7.093 10.871 1.00 0.00 C ATOM 1243 O GLY B 13 -3.641 8.186 11.411 1.00 0.00 O ATOM 0 H GLY B 13 -3.071 5.447 8.335 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.533 7.266 9.967 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.864 7.636 8.890 1.00 0.00 H new ATOM 1247 N GLY B 14 -4.075 5.981 11.267 1.00 0.00 N ATOM 1248 CA GLY B 14 -4.938 5.978 12.428 1.00 0.00 C ATOM 1249 C GLY B 14 -6.363 5.619 12.077 1.00 0.00 C ATOM 1250 O GLY B 14 -7.091 5.046 12.889 1.00 0.00 O ATOM 0 H GLY B 14 -3.985 5.079 10.800 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -4.556 5.268 13.161 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.918 6.962 12.897 1.00 0.00 H new ATOM 1254 N ASN B 15 -6.757 5.942 10.855 1.00 0.00 N ATOM 1255 CA ASN B 15 -8.115 5.689 10.402 1.00 0.00 C ATOM 1256 C ASN B 15 -8.171 4.351 9.670 1.00 0.00 C ATOM 1257 O ASN B 15 -8.064 4.297 8.446 1.00 0.00 O ATOM 1258 CB ASN B 15 -8.585 6.833 9.496 1.00 0.00 C ATOM 1259 CG ASN B 15 -10.074 6.786 9.216 1.00 0.00 C ATOM 1260 OD1 ASN B 15 -10.452 6.142 8.130 1.00 0.00 O flip ATOM 1261 ND2 ASN B 15 -10.876 7.336 9.972 1.00 0.00 N flip ATOM 0 H ASN B 15 -6.154 6.380 10.159 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.784 5.640 11.261 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -8.338 7.786 9.964 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -8.041 6.790 8.552 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -10.541 7.824 10.803 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -11.875 7.303 9.767 1.00 0.00 H new ATOM 1268 N SER B 16 -8.335 3.279 10.441 1.00 0.00 N ATOM 1269 CA SER B 16 -8.261 1.913 9.920 1.00 0.00 C ATOM 1270 C SER B 16 -9.328 1.615 8.866 1.00 0.00 C ATOM 1271 O SER B 16 -9.146 0.731 8.030 1.00 0.00 O ATOM 1272 CB SER B 16 -8.388 0.921 11.066 1.00 0.00 C ATOM 1273 OG SER B 16 -7.502 1.254 12.125 1.00 0.00 O ATOM 0 H SER B 16 -8.523 3.330 11.442 1.00 0.00 H new ATOM 0 HA SER B 16 -7.292 1.813 9.431 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.414 0.913 11.434 1.00 0.00 H new ATOM 0 HB3 SER B 16 -8.171 -0.085 10.707 1.00 0.00 H new ATOM 0 HG SER B 16 -7.602 0.604 12.852 1.00 0.00 H new ATOM 1279 N SER B 17 -10.443 2.331 8.914 1.00 0.00 N ATOM 1280 CA SER B 17 -11.490 2.165 7.918 1.00 0.00 C ATOM 1281 C SER B 17 -11.568 3.424 7.054 1.00 0.00 C ATOM 1282 O SER B 17 -12.402 4.299 7.283 1.00 0.00 O ATOM 1283 CB SER B 17 -12.831 1.884 8.603 1.00 0.00 C ATOM 1284 OG SER B 17 -13.794 1.404 7.678 1.00 0.00 O ATOM 0 H SER B 17 -10.645 3.030 9.629 1.00 0.00 H new ATOM 0 HA SER B 17 -11.257 1.314 7.278 1.00 0.00 H new ATOM 0 HB2 SER B 17 -12.689 1.150 9.397 1.00 0.00 H new ATOM 0 HB3 SER B 17 -13.199 2.796 9.074 1.00 0.00 H new ATOM 0 HG SER B 17 -14.639 1.232 8.145 1.00 0.00 H new ATOM 1290 N PRO B 18 -10.676 3.525 6.057 1.00 0.00 N ATOM 1291 CA PRO B 18 -10.474 4.744 5.267 1.00 0.00 C ATOM 1292 C PRO B 18 -11.606 5.015 4.287 1.00 0.00 C ATOM 1293 O PRO B 18 -12.294 4.098 3.838 1.00 0.00 O ATOM 1294 CB PRO B 18 -9.165 4.467 4.507 1.00 0.00 C ATOM 1295 CG PRO B 18 -8.606 3.220 5.113 1.00 0.00 C ATOM 1296 CD PRO B 18 -9.791 2.454 5.600 1.00 0.00 C ATOM 0 HA PRO B 18 -10.441 5.628 5.903 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -9.351 4.336 3.441 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.468 5.299 4.609 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.040 2.645 4.379 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -7.924 3.452 5.931 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -10.246 1.858 4.808 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -9.531 1.768 6.406 1.00 0.00 H new ATOM 1304 N SER B 19 -11.790 6.283 3.962 1.00 0.00 N ATOM 1305 CA SER B 19 -12.795 6.690 3.004 1.00 0.00 C ATOM 1306 C SER B 19 -12.134 7.047 1.675 1.00 0.00 C ATOM 1307 O SER B 19 -11.005 7.544 1.638 1.00 0.00 O ATOM 1308 CB SER B 19 -13.592 7.866 3.569 1.00 0.00 C ATOM 1309 OG SER B 19 -12.749 8.754 4.287 1.00 0.00 O ATOM 0 H SER B 19 -11.249 7.053 4.354 1.00 0.00 H new ATOM 0 HA SER B 19 -13.486 5.867 2.820 1.00 0.00 H new ATOM 0 HB2 SER B 19 -14.082 8.402 2.756 1.00 0.00 H new ATOM 0 HB3 SER B 19 -14.379 7.495 4.226 1.00 0.00 H new ATOM 0 HG SER B 19 -13.281 9.499 4.637 1.00 0.00 H new ATOM 1315 N ALA B 20 -12.856 6.782 0.591 1.00 0.00 N ATOM 1316 CA ALA B 20 -12.308 6.843 -0.758 1.00 0.00 C ATOM 1317 C ALA B 20 -11.819 8.237 -1.139 1.00 0.00 C ATOM 1318 O ALA B 20 -10.935 8.370 -1.980 1.00 0.00 O ATOM 1319 CB ALA B 20 -13.347 6.369 -1.758 1.00 0.00 C ATOM 0 H ALA B 20 -13.841 6.518 0.624 1.00 0.00 H new ATOM 0 HA ALA B 20 -11.439 6.186 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -12.932 6.417 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -13.629 5.341 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -14.228 7.008 -1.698 1.00 0.00 H new ATOM 1325 N LYS B 21 -12.397 9.273 -0.545 1.00 0.00 N ATOM 1326 CA LYS B 21 -11.978 10.640 -0.845 1.00 0.00 C ATOM 1327 C LYS B 21 -10.578 10.896 -0.311 1.00 0.00 C ATOM 1328 O LYS B 21 -9.741 11.513 -0.983 1.00 0.00 O ATOM 1329 CB LYS B 21 -12.959 11.653 -0.264 1.00 0.00 C ATOM 1330 CG LYS B 21 -14.392 11.429 -0.702 1.00 0.00 C ATOM 1331 CD LYS B 21 -14.535 11.566 -2.204 1.00 0.00 C ATOM 1332 CE LYS B 21 -15.930 11.210 -2.661 1.00 0.00 C ATOM 1333 NZ LYS B 21 -16.960 12.125 -2.102 1.00 0.00 N ATOM 0 H LYS B 21 -13.149 9.197 0.140 1.00 0.00 H new ATOM 0 HA LYS B 21 -11.968 10.759 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -12.910 11.611 0.824 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -12.650 12.656 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -14.718 10.436 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -15.043 12.148 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -14.303 12.589 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -13.812 10.919 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -15.972 11.242 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.157 10.186 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -17.885 11.905 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -17.011 12.002 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -16.706 13.109 -2.321 1.00 0.00 H new ATOM 1347 N ASP B 22 -10.319 10.391 0.887 1.00 0.00 N ATOM 1348 CA ASP B 22 -8.996 10.485 1.483 1.00 0.00 C ATOM 1349 C ASP B 22 -8.018 9.709 0.615 1.00 0.00 C ATOM 1350 O ASP B 22 -6.917 10.168 0.333 1.00 0.00 O ATOM 1351 CB ASP B 22 -9.004 9.911 2.902 1.00 0.00 C ATOM 1352 CG ASP B 22 -7.885 10.459 3.763 1.00 0.00 C ATOM 1353 OD1 ASP B 22 -6.736 9.995 3.639 1.00 0.00 O ATOM 1354 OD2 ASP B 22 -8.160 11.352 4.590 1.00 0.00 O ATOM 0 H ASP B 22 -11.009 9.912 1.465 1.00 0.00 H new ATOM 0 HA ASP B 22 -8.697 11.531 1.542 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -9.961 10.133 3.374 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -8.918 8.826 2.850 1.00 0.00 H new ATOM 1359 N ILE B 23 -8.466 8.535 0.170 1.00 0.00 N ATOM 1360 CA ILE B 23 -7.712 7.708 -0.766 1.00 0.00 C ATOM 1361 C ILE B 23 -7.285 8.524 -1.978 1.00 0.00 C ATOM 1362 O ILE B 23 -6.107 8.537 -2.344 1.00 0.00 O ATOM 1363 CB ILE B 23 -8.564 6.514 -1.252 1.00 0.00 C ATOM 1364 CG1 ILE B 23 -9.032 5.663 -0.071 1.00 0.00 C ATOM 1365 CG2 ILE B 23 -7.793 5.661 -2.247 1.00 0.00 C ATOM 1366 CD1 ILE B 23 -7.913 4.988 0.671 1.00 0.00 C ATOM 0 H ILE B 23 -9.361 8.133 0.449 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.831 7.339 -0.241 1.00 0.00 H new ATOM 0 HB ILE B 23 -9.442 6.917 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.587 6.295 0.623 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.725 4.904 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.417 4.828 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -7.518 6.267 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -6.891 5.275 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.323 4.403 1.494 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -7.372 4.329 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.231 5.742 1.066 1.00 0.00 H new ATOM 1378 N LYS B 24 -8.252 9.211 -2.585 1.00 0.00 N ATOM 1379 CA LYS B 24 -7.992 10.046 -3.752 1.00 0.00 C ATOM 1380 C LYS B 24 -6.924 11.079 -3.445 1.00 0.00 C ATOM 1381 O LYS B 24 -6.042 11.327 -4.259 1.00 0.00 O ATOM 1382 CB LYS B 24 -9.266 10.759 -4.212 1.00 0.00 C ATOM 1383 CG LYS B 24 -10.387 9.827 -4.632 1.00 0.00 C ATOM 1384 CD LYS B 24 -11.543 10.603 -5.235 1.00 0.00 C ATOM 1385 CE LYS B 24 -12.733 9.707 -5.522 1.00 0.00 C ATOM 1386 NZ LYS B 24 -13.767 10.421 -6.315 1.00 0.00 N ATOM 0 H LYS B 24 -9.227 9.204 -2.284 1.00 0.00 H new ATOM 0 HA LYS B 24 -7.643 9.392 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.623 11.397 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -9.020 11.413 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.012 9.105 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.736 9.260 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.843 11.398 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.217 11.082 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.402 8.822 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.166 9.362 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.712 10.114 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.671 11.446 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.642 10.203 -7.324 1.00 0.00 H new ATOM 1400 N LYS B 25 -7.010 11.675 -2.264 1.00 0.00 N ATOM 1401 CA LYS B 25 -6.046 12.668 -1.832 1.00 0.00 C ATOM 1402 C LYS B 25 -4.639 12.070 -1.733 1.00 0.00 C ATOM 1403 O LYS B 25 -3.663 12.673 -2.190 1.00 0.00 O ATOM 1404 CB LYS B 25 -6.489 13.243 -0.493 1.00 0.00 C ATOM 1405 CG LYS B 25 -5.620 14.371 0.034 1.00 0.00 C ATOM 1406 CD LYS B 25 -5.739 15.639 -0.799 1.00 0.00 C ATOM 1407 CE LYS B 25 -4.854 15.602 -2.039 1.00 0.00 C ATOM 1408 NZ LYS B 25 -5.136 16.727 -2.969 1.00 0.00 N ATOM 0 H LYS B 25 -7.746 11.483 -1.585 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.003 13.467 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.512 13.606 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.504 12.440 0.244 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.900 14.590 1.064 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -4.579 14.047 0.049 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.777 15.777 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -5.468 16.500 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.807 15.638 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -5.003 14.657 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.510 16.659 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -6.127 16.680 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.969 17.630 -2.482 1.00 0.00 H new ATOM 1422 N ILE B 26 -4.537 10.879 -1.161 1.00 0.00 N ATOM 1423 CA ILE B 26 -3.247 10.222 -1.008 1.00 0.00 C ATOM 1424 C ILE B 26 -2.685 9.820 -2.374 1.00 0.00 C ATOM 1425 O ILE B 26 -1.490 9.960 -2.635 1.00 0.00 O ATOM 1426 CB ILE B 26 -3.345 8.989 -0.099 1.00 0.00 C ATOM 1427 CG1 ILE B 26 -4.228 9.282 1.109 1.00 0.00 C ATOM 1428 CG2 ILE B 26 -1.954 8.612 0.375 1.00 0.00 C ATOM 1429 CD1 ILE B 26 -4.608 8.044 1.872 1.00 0.00 C ATOM 0 H ILE B 26 -5.329 10.349 -0.796 1.00 0.00 H new ATOM 0 HA ILE B 26 -2.570 10.935 -0.538 1.00 0.00 H new ATOM 0 HB ILE B 26 -3.787 8.167 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -3.706 9.968 1.776 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -5.133 9.789 0.776 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -2.015 7.737 1.022 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -1.326 8.384 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -1.521 9.444 0.930 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -5.236 8.318 2.720 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -5.157 7.367 1.217 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -3.707 7.548 2.233 1.00 0.00 H new ATOM 1441 N LEU B 27 -3.561 9.336 -3.246 1.00 0.00 N ATOM 1442 CA LEU B 27 -3.209 9.072 -4.641 1.00 0.00 C ATOM 1443 C LEU B 27 -2.755 10.358 -5.312 1.00 0.00 C ATOM 1444 O LEU B 27 -1.760 10.382 -6.023 1.00 0.00 O ATOM 1445 CB LEU B 27 -4.417 8.496 -5.379 1.00 0.00 C ATOM 1446 CG LEU B 27 -4.884 7.135 -4.876 1.00 0.00 C ATOM 1447 CD1 LEU B 27 -6.351 6.941 -5.186 1.00 0.00 C ATOM 1448 CD2 LEU B 27 -4.073 6.017 -5.500 1.00 0.00 C ATOM 0 H LEU B 27 -4.529 9.116 -3.011 1.00 0.00 H new ATOM 0 HA LEU B 27 -2.394 8.349 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.244 9.201 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -4.172 8.412 -6.438 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.737 7.104 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.674 5.966 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.933 7.722 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.505 6.996 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.427 5.057 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.186 6.046 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.021 6.142 -5.242 1.00 0.00 H new ATOM 1460 N ASP B 28 -3.481 11.428 -5.045 1.00 0.00 N ATOM 1461 CA ASP B 28 -3.171 12.742 -5.593 1.00 0.00 C ATOM 1462 C ASP B 28 -1.812 13.238 -5.096 1.00 0.00 C ATOM 1463 O ASP B 28 -1.123 13.984 -5.789 1.00 0.00 O ATOM 1464 CB ASP B 28 -4.276 13.727 -5.203 1.00 0.00 C ATOM 1465 CG ASP B 28 -4.114 15.090 -5.834 1.00 0.00 C ATOM 1466 OD1 ASP B 28 -4.554 15.270 -6.990 1.00 0.00 O ATOM 1467 OD2 ASP B 28 -3.569 15.996 -5.171 1.00 0.00 O ATOM 0 H ASP B 28 -4.304 11.414 -4.442 1.00 0.00 H new ATOM 0 HA ASP B 28 -3.119 12.667 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -5.241 13.313 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -4.289 13.836 -4.119 1.00 0.00 H new ATOM 1472 N SER B 29 -1.417 12.791 -3.906 1.00 0.00 N ATOM 1473 CA SER B 29 -0.139 13.188 -3.324 1.00 0.00 C ATOM 1474 C SER B 29 1.037 12.554 -4.073 1.00 0.00 C ATOM 1475 O SER B 29 2.149 13.080 -4.053 1.00 0.00 O ATOM 1476 CB SER B 29 -0.098 12.802 -1.845 1.00 0.00 C ATOM 1477 OG SER B 29 -1.210 13.347 -1.151 1.00 0.00 O ATOM 0 H SER B 29 -1.964 12.154 -3.327 1.00 0.00 H new ATOM 0 HA SER B 29 -0.045 14.270 -3.416 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.099 11.716 -1.748 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.828 13.161 -1.396 1.00 0.00 H new ATOM 0 HG SER B 29 -2.039 12.972 -1.516 1.00 0.00 H new ATOM 1483 N VAL B 30 0.786 11.427 -4.737 1.00 0.00 N ATOM 1484 CA VAL B 30 1.824 10.746 -5.509 1.00 0.00 C ATOM 1485 C VAL B 30 1.519 10.787 -7.007 1.00 0.00 C ATOM 1486 O VAL B 30 2.306 10.316 -7.826 1.00 0.00 O ATOM 1487 CB VAL B 30 2.014 9.286 -5.041 1.00 0.00 C ATOM 1488 CG1 VAL B 30 2.673 9.262 -3.678 1.00 0.00 C ATOM 1489 CG2 VAL B 30 0.684 8.562 -4.985 1.00 0.00 C ATOM 0 H VAL B 30 -0.124 10.967 -4.756 1.00 0.00 H new ATOM 0 HA VAL B 30 2.756 11.282 -5.333 1.00 0.00 H new ATOM 0 HB VAL B 30 2.655 8.775 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL B 30 2.803 8.229 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL B 30 3.646 9.750 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL B 30 2.045 9.790 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.842 7.536 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.021 9.072 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.230 8.557 -5.976 1.00 0.00 H new ATOM 1499 N GLY B 31 0.364 11.347 -7.352 1.00 0.00 N ATOM 1500 CA GLY B 31 0.032 11.578 -8.746 1.00 0.00 C ATOM 1501 C GLY B 31 -0.728 10.431 -9.384 1.00 0.00 C ATOM 1502 O GLY B 31 -0.534 10.137 -10.565 1.00 0.00 O ATOM 0 H GLY B 31 -0.350 11.646 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.565 12.487 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY B 31 0.951 11.751 -9.306 1.00 0.00 H new ATOM 1506 N ILE B 32 -1.592 9.783 -8.618 1.00 0.00 N ATOM 1507 CA ILE B 32 -2.374 8.672 -9.135 1.00 0.00 C ATOM 1508 C ILE B 32 -3.828 9.076 -9.361 1.00 0.00 C ATOM 1509 O ILE B 32 -4.421 9.797 -8.554 1.00 0.00 O ATOM 1510 CB ILE B 32 -2.316 7.478 -8.173 1.00 0.00 C ATOM 1511 CG1 ILE B 32 -0.874 7.125 -7.852 1.00 0.00 C ATOM 1512 CG2 ILE B 32 -3.032 6.273 -8.754 1.00 0.00 C ATOM 1513 CD1 ILE B 32 -0.765 6.169 -6.696 1.00 0.00 C ATOM 0 H ILE B 32 -1.769 10.007 -7.639 1.00 0.00 H new ATOM 0 HA ILE B 32 -1.941 8.384 -10.093 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.823 7.765 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.406 6.683 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -0.322 8.036 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -2.975 5.442 -8.051 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.077 6.523 -8.936 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.559 5.987 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.285 5.947 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -1.208 6.620 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.293 5.246 -6.936 1.00 0.00 H new ATOM 1525 N GLU B 33 -4.385 8.620 -10.474 1.00 0.00 N ATOM 1526 CA GLU B 33 -5.766 8.875 -10.814 1.00 0.00 C ATOM 1527 C GLU B 33 -6.669 7.806 -10.199 1.00 0.00 C ATOM 1528 O GLU B 33 -6.286 6.637 -10.124 1.00 0.00 O ATOM 1529 CB GLU B 33 -5.923 8.896 -12.332 1.00 0.00 C ATOM 1530 CG GLU B 33 -5.009 9.900 -13.013 1.00 0.00 C ATOM 1531 CD GLU B 33 -5.045 9.795 -14.521 1.00 0.00 C ATOM 1532 OE1 GLU B 33 -5.537 10.740 -15.174 1.00 0.00 O ATOM 1533 OE2 GLU B 33 -4.571 8.776 -15.062 1.00 0.00 O ATOM 0 H GLU B 33 -3.885 8.061 -11.165 1.00 0.00 H new ATOM 0 HA GLU B 33 -6.061 9.845 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -5.717 7.901 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -6.958 9.129 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.299 10.908 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -3.987 9.747 -12.667 1.00 0.00 H new ATOM 1540 N ALA B 34 -7.859 8.197 -9.763 1.00 0.00 N ATOM 1541 CA ALA B 34 -8.758 7.264 -9.099 1.00 0.00 C ATOM 1542 C ALA B 34 -10.165 7.319 -9.681 1.00 0.00 C ATOM 1543 O ALA B 34 -10.728 8.395 -9.873 1.00 0.00 O ATOM 1544 CB ALA B 34 -8.793 7.544 -7.603 1.00 0.00 C ATOM 0 H ALA B 34 -8.222 9.146 -9.856 1.00 0.00 H new ATOM 0 HA ALA B 34 -8.374 6.258 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -9.469 6.840 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.791 7.431 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -9.144 8.562 -7.431 1.00 0.00 H new ATOM 1550 N ASP B 35 -10.721 6.148 -9.962 1.00 0.00 N ATOM 1551 CA ASP B 35 -12.098 6.036 -10.433 1.00 0.00 C ATOM 1552 C ASP B 35 -13.003 5.682 -9.267 1.00 0.00 C ATOM 1553 O ASP B 35 -12.751 4.690 -8.588 1.00 0.00 O ATOM 1554 CB ASP B 35 -12.236 4.948 -11.503 1.00 0.00 C ATOM 1555 CG ASP B 35 -11.274 5.112 -12.657 1.00 0.00 C ATOM 1556 OD1 ASP B 35 -10.158 4.557 -12.582 1.00 0.00 O ATOM 1557 OD2 ASP B 35 -11.631 5.774 -13.654 1.00 0.00 O ATOM 0 H ASP B 35 -10.236 5.255 -9.871 1.00 0.00 H new ATOM 0 HA ASP B 35 -12.382 6.995 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -12.075 3.974 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -13.256 4.954 -11.887 1.00 0.00 H new ATOM 1562 N ASP B 36 -14.034 6.489 -9.029 1.00 0.00 N ATOM 1563 CA ASP B 36 -14.901 6.331 -7.849 1.00 0.00 C ATOM 1564 C ASP B 36 -15.325 4.885 -7.619 1.00 0.00 C ATOM 1565 O ASP B 36 -15.035 4.306 -6.566 1.00 0.00 O ATOM 1566 CB ASP B 36 -16.155 7.200 -7.968 1.00 0.00 C ATOM 1567 CG ASP B 36 -15.907 8.640 -7.582 1.00 0.00 C ATOM 1568 OD1 ASP B 36 -15.981 8.956 -6.375 1.00 0.00 O ATOM 1569 OD2 ASP B 36 -15.623 9.464 -8.472 1.00 0.00 O ATOM 0 H ASP B 36 -14.296 7.265 -9.637 1.00 0.00 H new ATOM 0 HA ASP B 36 -14.304 6.652 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -16.523 7.161 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -16.939 6.788 -7.333 1.00 0.00 H new ATOM 1574 N ASP B 37 -15.994 4.310 -8.609 1.00 0.00 N ATOM 1575 CA ASP B 37 -16.557 2.968 -8.489 1.00 0.00 C ATOM 1576 C ASP B 37 -15.463 1.925 -8.276 1.00 0.00 C ATOM 1577 O ASP B 37 -15.543 1.118 -7.353 1.00 0.00 O ATOM 1578 CB ASP B 37 -17.394 2.620 -9.728 1.00 0.00 C ATOM 1579 CG ASP B 37 -16.574 2.471 -10.997 1.00 0.00 C ATOM 1580 OD1 ASP B 37 -16.615 1.385 -11.608 1.00 0.00 O ATOM 1581 OD2 ASP B 37 -15.878 3.437 -11.383 1.00 0.00 O ATOM 0 H ASP B 37 -16.162 4.754 -9.512 1.00 0.00 H new ATOM 0 HA ASP B 37 -17.207 2.957 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -17.932 1.690 -9.543 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -18.143 3.397 -9.879 1.00 0.00 H new ATOM 1586 N ARG B 38 -14.439 1.967 -9.118 1.00 0.00 N ATOM 1587 CA ARG B 38 -13.331 1.028 -9.043 1.00 0.00 C ATOM 1588 C ARG B 38 -12.603 1.143 -7.707 1.00 0.00 C ATOM 1589 O ARG B 38 -12.195 0.145 -7.119 1.00 0.00 O ATOM 1590 CB ARG B 38 -12.373 1.293 -10.201 1.00 0.00 C ATOM 1591 CG ARG B 38 -11.167 0.381 -10.221 1.00 0.00 C ATOM 1592 CD ARG B 38 -11.563 -1.069 -10.392 1.00 0.00 C ATOM 1593 NE ARG B 38 -12.436 -1.265 -11.550 1.00 0.00 N ATOM 1594 CZ ARG B 38 -13.146 -2.371 -11.765 1.00 0.00 C ATOM 1595 NH1 ARG B 38 -13.027 -3.412 -10.954 1.00 0.00 N ATOM 1596 NH2 ARG B 38 -13.957 -2.445 -12.809 1.00 0.00 N ATOM 0 H ARG B 38 -14.354 2.651 -9.870 1.00 0.00 H new ATOM 0 HA ARG B 38 -13.720 0.013 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -12.915 1.183 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -12.033 2.327 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -10.502 0.675 -11.034 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -10.607 0.498 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -10.667 -1.679 -10.506 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -12.071 -1.415 -9.492 1.00 0.00 H new ATOM 0 HE ARG B 38 -12.505 -0.510 -12.233 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -12.389 -3.369 -10.159 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -13.574 -4.256 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -14.038 -1.655 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -14.501 -3.292 -12.973 1.00 0.00 H new ATOM 1610 N LEU B 39 -12.453 2.367 -7.234 1.00 0.00 N ATOM 1611 CA LEU B 39 -11.798 2.636 -5.965 1.00 0.00 C ATOM 1612 C LEU B 39 -12.577 2.030 -4.806 1.00 0.00 C ATOM 1613 O LEU B 39 -12.035 1.230 -4.043 1.00 0.00 O ATOM 1614 CB LEU B 39 -11.630 4.152 -5.801 1.00 0.00 C ATOM 1615 CG LEU B 39 -11.479 4.687 -4.377 1.00 0.00 C ATOM 1616 CD1 LEU B 39 -10.378 3.960 -3.622 1.00 0.00 C ATOM 1617 CD2 LEU B 39 -11.201 6.180 -4.428 1.00 0.00 C ATOM 0 H LEU B 39 -12.781 3.203 -7.718 1.00 0.00 H new ATOM 0 HA LEU B 39 -10.813 2.168 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -10.754 4.459 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -12.493 4.639 -6.255 1.00 0.00 H new ATOM 0 HG LEU B 39 -12.410 4.509 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -10.299 4.366 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -10.615 2.897 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -9.430 4.094 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -11.093 6.565 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -10.281 6.360 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -12.029 6.688 -4.922 1.00 0.00 H new ATOM 1629 N ASN B 40 -13.846 2.395 -4.685 1.00 0.00 N ATOM 1630 CA ASN B 40 -14.691 1.853 -3.626 1.00 0.00 C ATOM 1631 C ASN B 40 -14.788 0.340 -3.752 1.00 0.00 C ATOM 1632 O ASN B 40 -14.960 -0.357 -2.760 1.00 0.00 O ATOM 1633 CB ASN B 40 -16.097 2.461 -3.672 1.00 0.00 C ATOM 1634 CG ASN B 40 -16.153 3.884 -3.151 1.00 0.00 C ATOM 1635 OD1 ASN B 40 -16.364 4.113 -1.958 1.00 0.00 O ATOM 1636 ND2 ASN B 40 -15.984 4.849 -4.037 1.00 0.00 N ATOM 0 H ASN B 40 -14.312 3.060 -5.302 1.00 0.00 H new ATOM 0 HA ASN B 40 -14.233 2.111 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -16.459 2.443 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -16.773 1.840 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -16.026 5.825 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -15.811 4.618 -5.015 1.00 0.00 H new ATOM 1643 N LYS B 41 -14.666 -0.157 -4.980 1.00 0.00 N ATOM 1644 CA LYS B 41 -14.710 -1.584 -5.244 1.00 0.00 C ATOM 1645 C LYS B 41 -13.491 -2.277 -4.645 1.00 0.00 C ATOM 1646 O LYS B 41 -13.622 -3.269 -3.934 1.00 0.00 O ATOM 1647 CB LYS B 41 -14.765 -1.836 -6.751 1.00 0.00 C ATOM 1648 CG LYS B 41 -15.234 -3.229 -7.118 1.00 0.00 C ATOM 1649 CD LYS B 41 -16.676 -3.447 -6.693 1.00 0.00 C ATOM 1650 CE LYS B 41 -17.173 -4.832 -7.069 1.00 0.00 C ATOM 1651 NZ LYS B 41 -18.598 -5.017 -6.696 1.00 0.00 N ATOM 0 H LYS B 41 -14.535 0.418 -5.812 1.00 0.00 H new ATOM 0 HA LYS B 41 -15.607 -1.995 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -15.432 -1.105 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -13.774 -1.672 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -15.142 -3.376 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -14.594 -3.970 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -16.761 -3.311 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -17.310 -2.694 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -17.054 -4.984 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -16.564 -5.586 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -18.906 -5.973 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -18.707 -4.896 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -19.181 -4.312 -7.191 1.00 0.00 H new ATOM 1665 N VAL B 42 -12.313 -1.738 -4.931 1.00 0.00 N ATOM 1666 CA VAL B 42 -11.070 -2.270 -4.392 1.00 0.00 C ATOM 1667 C VAL B 42 -11.063 -2.194 -2.867 1.00 0.00 C ATOM 1668 O VAL B 42 -10.647 -3.126 -2.177 1.00 0.00 O ATOM 1669 CB VAL B 42 -9.860 -1.502 -4.956 1.00 0.00 C ATOM 1670 CG1 VAL B 42 -8.577 -1.953 -4.284 1.00 0.00 C ATOM 1671 CG2 VAL B 42 -9.774 -1.703 -6.458 1.00 0.00 C ATOM 0 H VAL B 42 -12.193 -0.927 -5.538 1.00 0.00 H new ATOM 0 HA VAL B 42 -10.997 -3.315 -4.692 1.00 0.00 H new ATOM 0 HB VAL B 42 -9.994 -0.440 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -7.735 -1.398 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -8.643 -1.767 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -8.430 -3.019 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -8.916 -1.157 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -9.659 -2.765 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -10.685 -1.332 -6.927 1.00 0.00 H new ATOM 1681 N ILE B 43 -11.539 -1.080 -2.354 1.00 0.00 N ATOM 1682 CA ILE B 43 -11.686 -0.890 -0.929 1.00 0.00 C ATOM 1683 C ILE B 43 -12.653 -1.912 -0.350 1.00 0.00 C ATOM 1684 O ILE B 43 -12.430 -2.485 0.717 1.00 0.00 O ATOM 1685 CB ILE B 43 -12.181 0.515 -0.675 1.00 0.00 C ATOM 1686 CG1 ILE B 43 -11.046 1.461 -1.052 1.00 0.00 C ATOM 1687 CG2 ILE B 43 -12.620 0.694 0.767 1.00 0.00 C ATOM 1688 CD1 ILE B 43 -10.986 2.672 -0.191 1.00 0.00 C ATOM 0 H ILE B 43 -11.835 -0.281 -2.914 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.722 -1.032 -0.440 1.00 0.00 H new ATOM 0 HB ILE B 43 -13.063 0.731 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -10.098 0.927 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -11.166 1.767 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -12.970 1.715 0.917 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -13.427 -0.003 0.991 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -11.778 0.499 1.431 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -10.158 3.305 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -11.920 3.227 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -10.836 2.374 0.847 1.00 0.00 H new ATOM 1700 N SER B 44 -13.715 -2.153 -1.093 1.00 0.00 N ATOM 1701 CA SER B 44 -14.749 -3.082 -0.689 1.00 0.00 C ATOM 1702 C SER B 44 -14.256 -4.527 -0.745 1.00 0.00 C ATOM 1703 O SER B 44 -14.635 -5.341 0.098 1.00 0.00 O ATOM 1704 CB SER B 44 -15.976 -2.894 -1.578 1.00 0.00 C ATOM 1705 OG SER B 44 -17.074 -3.674 -1.132 1.00 0.00 O ATOM 0 H SER B 44 -13.885 -1.709 -1.995 1.00 0.00 H new ATOM 0 HA SER B 44 -15.018 -2.873 0.346 1.00 0.00 H new ATOM 0 HB2 SER B 44 -16.259 -1.841 -1.589 1.00 0.00 H new ATOM 0 HB3 SER B 44 -15.728 -3.169 -2.603 1.00 0.00 H new ATOM 0 HG SER B 44 -17.841 -3.527 -1.724 1.00 0.00 H new ATOM 1711 N GLU B 45 -13.414 -4.852 -1.728 1.00 0.00 N ATOM 1712 CA GLU B 45 -12.876 -6.203 -1.827 1.00 0.00 C ATOM 1713 C GLU B 45 -11.903 -6.455 -0.680 1.00 0.00 C ATOM 1714 O GLU B 45 -11.866 -7.550 -0.112 1.00 0.00 O ATOM 1715 CB GLU B 45 -12.227 -6.463 -3.189 1.00 0.00 C ATOM 1716 CG GLU B 45 -10.890 -5.804 -3.351 1.00 0.00 C ATOM 1717 CD GLU B 45 -10.211 -6.117 -4.677 1.00 0.00 C ATOM 1718 OE1 GLU B 45 -10.002 -5.186 -5.487 1.00 0.00 O ATOM 1719 OE2 GLU B 45 -9.882 -7.300 -4.920 1.00 0.00 O ATOM 0 H GLU B 45 -13.096 -4.209 -2.453 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.702 -6.909 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.112 -7.538 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -12.895 -6.109 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.013 -4.725 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.238 -6.119 -2.536 1.00 0.00 H new ATOM 1726 N LEU B 46 -11.139 -5.422 -0.326 1.00 0.00 N ATOM 1727 CA LEU B 46 -10.272 -5.466 0.846 1.00 0.00 C ATOM 1728 C LEU B 46 -11.078 -5.652 2.126 1.00 0.00 C ATOM 1729 O LEU B 46 -10.680 -6.403 3.012 1.00 0.00 O ATOM 1730 CB LEU B 46 -9.459 -4.184 0.958 1.00 0.00 C ATOM 1731 CG LEU B 46 -8.249 -4.097 0.040 1.00 0.00 C ATOM 1732 CD1 LEU B 46 -7.701 -2.694 0.057 1.00 0.00 C ATOM 1733 CD2 LEU B 46 -7.171 -5.084 0.465 1.00 0.00 C ATOM 0 H LEU B 46 -11.105 -4.541 -0.839 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.603 -6.318 0.721 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -10.114 -3.339 0.749 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.121 -4.077 1.989 1.00 0.00 H new ATOM 0 HG LEU B 46 -8.562 -4.353 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.834 -2.634 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -8.467 -2.000 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.404 -2.432 1.072 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.317 -5.002 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.854 -4.860 1.484 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.569 -6.098 0.423 1.00 0.00 H new ATOM 1745 N ASN B 47 -12.203 -4.950 2.217 1.00 0.00 N ATOM 1746 CA ASN B 47 -13.052 -4.997 3.407 1.00 0.00 C ATOM 1747 C ASN B 47 -13.703 -6.374 3.563 1.00 0.00 C ATOM 1748 O ASN B 47 -13.957 -6.833 4.677 1.00 0.00 O ATOM 1749 CB ASN B 47 -14.129 -3.910 3.331 1.00 0.00 C ATOM 1750 CG ASN B 47 -14.885 -3.735 4.636 1.00 0.00 C ATOM 1751 OD1 ASN B 47 -14.330 -3.900 5.721 1.00 0.00 O ATOM 1752 ND2 ASN B 47 -16.160 -3.393 4.538 1.00 0.00 N ATOM 0 H ASN B 47 -12.551 -4.339 1.478 1.00 0.00 H new ATOM 0 HA ASN B 47 -12.424 -4.816 4.280 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -13.664 -2.963 3.057 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -14.835 -4.160 2.539 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -16.718 -3.257 5.381 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -16.585 -3.265 3.619 1.00 0.00 H new ATOM 1759 N GLY B 48 -13.966 -7.028 2.437 1.00 0.00 N ATOM 1760 CA GLY B 48 -14.577 -8.344 2.463 1.00 0.00 C ATOM 1761 C GLY B 48 -13.583 -9.433 2.815 1.00 0.00 C ATOM 1762 O GLY B 48 -13.910 -10.374 3.540 1.00 0.00 O ATOM 0 H GLY B 48 -13.766 -6.669 1.504 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -15.391 -8.350 3.188 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -15.016 -8.557 1.489 1.00 0.00 H new ATOM 1766 N LYS B 49 -12.371 -9.307 2.296 1.00 0.00 N ATOM 1767 CA LYS B 49 -11.308 -10.264 2.578 1.00 0.00 C ATOM 1768 C LYS B 49 -10.328 -9.678 3.582 1.00 0.00 C ATOM 1769 O LYS B 49 -10.684 -8.809 4.380 1.00 0.00 O ATOM 1770 CB LYS B 49 -10.563 -10.632 1.288 1.00 0.00 C ATOM 1771 CG LYS B 49 -11.383 -11.474 0.324 1.00 0.00 C ATOM 1772 CD LYS B 49 -11.721 -12.825 0.932 1.00 0.00 C ATOM 1773 CE LYS B 49 -12.542 -13.679 -0.016 1.00 0.00 C ATOM 1774 NZ LYS B 49 -12.879 -15.000 0.578 1.00 0.00 N ATOM 0 H LYS B 49 -12.097 -8.547 1.673 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.758 -11.164 2.997 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.255 -9.716 0.784 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.654 -11.175 1.547 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.302 -10.947 0.066 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.827 -11.617 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.800 -13.349 1.189 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.273 -12.678 1.860 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.461 -13.153 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.988 -13.828 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -13.440 -15.553 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.003 -15.513 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -13.430 -14.859 1.449 1.00 0.00 H new ATOM 1788 N ASN B 50 -9.109 -10.181 3.568 1.00 0.00 N ATOM 1789 CA ASN B 50 -8.033 -9.542 4.296 1.00 0.00 C ATOM 1790 C ASN B 50 -7.198 -8.747 3.309 1.00 0.00 C ATOM 1791 O ASN B 50 -7.252 -9.016 2.105 1.00 0.00 O ATOM 1792 CB ASN B 50 -7.153 -10.558 5.030 1.00 0.00 C ATOM 1793 CG ASN B 50 -7.934 -11.439 5.984 1.00 0.00 C ATOM 1794 OD1 ASN B 50 -8.228 -11.047 7.114 1.00 0.00 O ATOM 1795 ND2 ASN B 50 -8.247 -12.649 5.549 1.00 0.00 N ATOM 0 H ASN B 50 -8.841 -11.026 3.063 1.00 0.00 H new ATOM 0 HA ASN B 50 -8.463 -8.888 5.055 1.00 0.00 H new ATOM 0 HB2 ASN B 50 -6.645 -11.186 4.298 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -6.380 -10.027 5.585 1.00 0.00 H new ATOM 0 HD21 ASN B 50 -8.750 -13.295 6.157 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -7.985 -12.935 4.606 1.00 0.00 H new ATOM 1802 N ILE B 51 -6.443 -7.778 3.791 1.00 0.00 N ATOM 1803 CA ILE B 51 -5.641 -6.947 2.909 1.00 0.00 C ATOM 1804 C ILE B 51 -4.651 -7.810 2.139 1.00 0.00 C ATOM 1805 O ILE B 51 -4.612 -7.767 0.916 1.00 0.00 O ATOM 1806 CB ILE B 51 -4.919 -5.827 3.680 1.00 0.00 C ATOM 1807 CG1 ILE B 51 -5.820 -4.600 3.876 1.00 0.00 C ATOM 1808 CG2 ILE B 51 -3.641 -5.393 2.999 1.00 0.00 C ATOM 1809 CD1 ILE B 51 -7.208 -4.900 4.403 1.00 0.00 C ATOM 0 H ILE B 51 -6.367 -7.547 4.782 1.00 0.00 H new ATOM 0 HA ILE B 51 -6.310 -6.462 2.199 1.00 0.00 H new ATOM 0 HB ILE B 51 -4.670 -6.251 4.653 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.327 -3.913 4.564 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.915 -4.082 2.922 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.169 -4.602 3.581 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -2.962 -6.242 2.924 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -3.869 -5.022 2.000 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -7.767 -3.970 4.507 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -7.727 -5.559 3.707 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -7.131 -5.387 5.375 1.00 0.00 H new ATOM 1821 N GLU B 52 -3.918 -8.646 2.869 1.00 0.00 N ATOM 1822 CA GLU B 52 -2.873 -9.487 2.282 1.00 0.00 C ATOM 1823 C GLU B 52 -3.445 -10.383 1.189 1.00 0.00 C ATOM 1824 O GLU B 52 -2.820 -10.582 0.149 1.00 0.00 O ATOM 1825 CB GLU B 52 -2.209 -10.383 3.336 1.00 0.00 C ATOM 1826 CG GLU B 52 -2.265 -9.847 4.754 1.00 0.00 C ATOM 1827 CD GLU B 52 -3.622 -10.057 5.395 1.00 0.00 C ATOM 1828 OE1 GLU B 52 -4.373 -9.073 5.528 1.00 0.00 O ATOM 1829 OE2 GLU B 52 -3.953 -11.211 5.734 1.00 0.00 O ATOM 0 H GLU B 52 -4.028 -8.761 3.876 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.129 -8.810 1.862 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -2.688 -11.362 3.314 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.165 -10.532 3.060 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -1.501 -10.339 5.356 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -2.030 -8.783 4.747 1.00 0.00 H new ATOM 1836 N ASP B 53 -4.633 -10.923 1.439 1.00 0.00 N ATOM 1837 CA ASP B 53 -5.296 -11.799 0.479 1.00 0.00 C ATOM 1838 C ASP B 53 -5.592 -11.037 -0.795 1.00 0.00 C ATOM 1839 O ASP B 53 -5.174 -11.433 -1.883 1.00 0.00 O ATOM 1840 CB ASP B 53 -6.607 -12.359 1.043 1.00 0.00 C ATOM 1841 CG ASP B 53 -6.412 -13.271 2.236 1.00 0.00 C ATOM 1842 OD1 ASP B 53 -7.288 -13.275 3.128 1.00 0.00 O ATOM 1843 OD2 ASP B 53 -5.393 -13.988 2.292 1.00 0.00 O ATOM 0 H ASP B 53 -5.158 -10.769 2.300 1.00 0.00 H new ATOM 0 HA ASP B 53 -4.624 -12.632 0.271 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -7.252 -11.529 1.332 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -7.126 -12.908 0.257 1.00 0.00 H new ATOM 1848 N VAL B 54 -6.304 -9.926 -0.648 1.00 0.00 N ATOM 1849 CA VAL B 54 -6.639 -9.069 -1.772 1.00 0.00 C ATOM 1850 C VAL B 54 -5.371 -8.575 -2.471 1.00 0.00 C ATOM 1851 O VAL B 54 -5.339 -8.436 -3.694 1.00 0.00 O ATOM 1852 CB VAL B 54 -7.518 -7.888 -1.316 1.00 0.00 C ATOM 1853 CG1 VAL B 54 -7.555 -6.786 -2.363 1.00 0.00 C ATOM 1854 CG2 VAL B 54 -8.922 -8.383 -1.020 1.00 0.00 C ATOM 0 H VAL B 54 -6.662 -9.598 0.249 1.00 0.00 H new ATOM 0 HA VAL B 54 -7.213 -9.654 -2.491 1.00 0.00 H new ATOM 0 HB VAL B 54 -7.083 -7.466 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -8.184 -5.969 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -6.545 -6.417 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -7.963 -7.181 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -9.542 -7.547 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -9.349 -8.826 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -8.884 -9.133 -0.230 1.00 0.00 H new ATOM 1864 N ILE B 55 -4.329 -8.333 -1.689 1.00 0.00 N ATOM 1865 CA ILE B 55 -3.020 -8.004 -2.222 1.00 0.00 C ATOM 1866 C ILE B 55 -2.485 -9.108 -3.116 1.00 0.00 C ATOM 1867 O ILE B 55 -2.276 -8.921 -4.313 1.00 0.00 O ATOM 1868 CB ILE B 55 -2.008 -7.789 -1.082 1.00 0.00 C ATOM 1869 CG1 ILE B 55 -2.363 -6.505 -0.323 1.00 0.00 C ATOM 1870 CG2 ILE B 55 -0.593 -7.740 -1.648 1.00 0.00 C ATOM 1871 CD1 ILE B 55 -1.664 -5.291 -0.845 1.00 0.00 C ATOM 0 H ILE B 55 -4.369 -8.360 -0.670 1.00 0.00 H new ATOM 0 HA ILE B 55 -3.141 -7.090 -2.804 1.00 0.00 H new ATOM 0 HB ILE B 55 -2.053 -8.621 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.440 -6.346 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.113 -6.634 0.730 1.00 0.00 H new ATOM 0 HG21 ILE B 55 0.118 -7.588 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.371 -8.680 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -0.514 -6.918 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -1.962 -4.420 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -0.586 -5.429 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -1.934 -5.137 -1.890 1.00 0.00 H new ATOM 1883 N ALA B 56 -2.301 -10.270 -2.528 1.00 0.00 N ATOM 1884 CA ALA B 56 -1.600 -11.349 -3.183 1.00 0.00 C ATOM 1885 C ALA B 56 -2.426 -11.929 -4.332 1.00 0.00 C ATOM 1886 O ALA B 56 -1.905 -12.645 -5.189 1.00 0.00 O ATOM 1887 CB ALA B 56 -1.225 -12.386 -2.143 1.00 0.00 C ATOM 0 H ALA B 56 -2.631 -10.491 -1.589 1.00 0.00 H new ATOM 0 HA ALA B 56 -0.683 -10.977 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -0.694 -13.208 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -0.582 -11.930 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -2.128 -12.767 -1.667 1.00 0.00 H new ATOM 1893 N GLN B 57 -3.714 -11.607 -4.341 1.00 0.00 N ATOM 1894 CA GLN B 57 -4.586 -11.932 -5.466 1.00 0.00 C ATOM 1895 C GLN B 57 -4.565 -10.816 -6.512 1.00 0.00 C ATOM 1896 O GLN B 57 -4.470 -11.075 -7.711 1.00 0.00 O ATOM 1897 CB GLN B 57 -6.025 -12.138 -4.990 1.00 0.00 C ATOM 1898 CG GLN B 57 -6.206 -13.321 -4.055 1.00 0.00 C ATOM 1899 CD GLN B 57 -7.649 -13.500 -3.620 1.00 0.00 C ATOM 1900 OE1 GLN B 57 -8.397 -12.405 -3.549 1.00 0.00 O flip ATOM 1901 NE2 GLN B 57 -8.096 -14.617 -3.358 1.00 0.00 N flip ATOM 0 H GLN B 57 -4.181 -11.118 -3.577 1.00 0.00 H new ATOM 0 HA GLN B 57 -4.214 -12.853 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -6.362 -11.234 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -6.668 -12.274 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -5.864 -14.229 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -5.578 -13.184 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -7.492 -15.436 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -9.070 -14.723 -3.076 1.00 0.00 H new ATOM 1910 N GLY B 58 -4.647 -9.575 -6.041 1.00 0.00 N ATOM 1911 CA GLY B 58 -4.811 -8.441 -6.933 1.00 0.00 C ATOM 1912 C GLY B 58 -3.528 -8.007 -7.613 1.00 0.00 C ATOM 1913 O GLY B 58 -3.509 -7.811 -8.827 1.00 0.00 O ATOM 0 H GLY B 58 -4.602 -9.334 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -5.548 -8.694 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -5.214 -7.601 -6.367 1.00 0.00 H new ATOM 1917 N ILE B 59 -2.457 -7.852 -6.837 1.00 0.00 N ATOM 1918 CA ILE B 59 -1.181 -7.392 -7.385 1.00 0.00 C ATOM 1919 C ILE B 59 -0.660 -8.396 -8.404 1.00 0.00 C ATOM 1920 O ILE B 59 -0.157 -8.023 -9.468 1.00 0.00 O ATOM 1921 CB ILE B 59 -0.094 -7.155 -6.293 1.00 0.00 C ATOM 1922 CG1 ILE B 59 -0.402 -5.921 -5.437 1.00 0.00 C ATOM 1923 CG2 ILE B 59 1.269 -6.988 -6.938 1.00 0.00 C ATOM 1924 CD1 ILE B 59 -1.619 -6.039 -4.549 1.00 0.00 C ATOM 0 H ILE B 59 -2.446 -8.036 -5.834 1.00 0.00 H new ATOM 0 HA ILE B 59 -1.377 -6.431 -7.860 1.00 0.00 H new ATOM 0 HB ILE B 59 -0.094 -8.030 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.465 -5.708 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -0.536 -5.065 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE B 59 2.020 -6.823 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE B 59 1.518 -7.888 -7.500 1.00 0.00 H new ATOM 0 HG23 ILE B 59 1.250 -6.133 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -1.749 -5.115 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -2.502 -6.217 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -1.485 -6.870 -3.856 1.00 0.00 H new