USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= -2.11 K(o=-2.5,f=-5.5!) USER MOD Set 1.2: B 27 ASN : amide:sc= -0.396 X(o=-2.5,f=-2.4) USER MOD Single : A 1 SER N :NH3+ -146:sc=0.000869 (180deg=-0.078) USER MOD Single : A 1 SER OG : rot 160:sc= -1.87 USER MOD Single : A 2 ASN : amide:sc=-0.00828 X(o=-0.0083,f=-0.41) USER MOD Single : A 6 CYS SG : rot -21:sc= 0.0219 USER MOD Single : A 7 TYR OH : rot -55:sc= 0.712 USER MOD Single : A 9 SER OG : rot -9:sc= 0.679 USER MOD Single : A 12 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.21) USER MOD Single : A 14 SER OG : rot 180:sc= -0.541 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 41:sc= 0.0288 USER MOD Single : B 24 ASN : amide:sc= -0.0709 K(o=-0.071,f=-1.6!) USER MOD Single : B 28 CYS SG : rot 180:sc= -0.116 USER MOD Single : B 29 TYR OH : rot -124:sc= 0.966 USER MOD Single : B 31 SER OG : rot 144:sc= 0.616 USER MOD Single : B 34 HIS : no HD1:sc= -0.924 K(o=-0.92,f=-1.9!) USER MOD Single : B 36 SER OG : rot -86:sc= 0.739 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot 180:sc= 0 USER MOD Single : C 46 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.2) USER MOD Single : C 49 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.09) USER MOD Single : C 50 CYS SG : rot 180:sc= -1.2 USER MOD Single : C 51 TYR OH : rot 82:sc= -0.0887 USER MOD Single : C 53 SER OG : rot 180:sc= 0.00023 USER MOD Single : C 56 HIS :FLIP no HD1:sc= -1.67 F(o=-3.7,f=-1.7) USER MOD Single : C 58 SER OG : rot -17:sc= 0.416 USER MOD Single : C 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 67 SER OG : rot -10:sc= 0.791 USER MOD Single : D 68 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.3!) USER MOD Single : D 71 ASN : amide:sc= -5.93! C(o=-5.9!,f=-9.1!) USER MOD Single : D 72 CYS SG : rot -20:sc= -1.01 USER MOD Single : D 73 TYR OH : rot 30:sc= 0 USER MOD Single : D 75 SER OG : rot 31:sc= 1.34 USER MOD Single : D 78 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : D 80 SER OG : rot 64:sc= 0.96 USER MOD Single : D 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.676 9.227 -5.320 1.00 0.00 N ATOM 2 CA SER A 1 14.534 8.887 -6.209 1.00 0.00 C ATOM 3 C SER A 1 13.230 9.474 -5.678 1.00 0.00 C ATOM 4 O SER A 1 12.401 9.965 -6.444 1.00 0.00 O ATOM 5 CB SER A 1 14.428 7.364 -6.303 1.00 0.00 C ATOM 6 OG SER A 1 14.189 6.788 -5.032 1.00 0.00 O ATOM 0 H1 SER A 1 16.535 9.357 -5.892 1.00 0.00 H new ATOM 0 H2 SER A 1 15.466 10.106 -4.806 1.00 0.00 H new ATOM 0 H3 SER A 1 15.827 8.456 -4.639 1.00 0.00 H new ATOM 0 HA SER A 1 14.708 9.314 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.621 7.094 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.349 6.958 -6.722 1.00 0.00 H new ATOM 0 HG SER A 1 13.813 5.890 -5.145 1.00 0.00 H new ATOM 14 N ASN A 2 13.057 9.423 -4.361 1.00 0.00 N ATOM 15 CA ASN A 2 11.854 9.952 -3.726 1.00 0.00 C ATOM 16 C ASN A 2 10.607 9.226 -4.226 1.00 0.00 C ATOM 17 O ASN A 2 9.668 9.851 -4.719 1.00 0.00 O ATOM 18 CB ASN A 2 11.732 11.453 -3.995 1.00 0.00 C ATOM 19 CG ASN A 2 10.795 12.141 -3.022 1.00 0.00 C ATOM 20 OD1 ASN A 2 9.592 12.243 -3.266 1.00 0.00 O ATOM 21 ND2 ASN A 2 11.342 12.617 -1.910 1.00 0.00 N ATOM 0 H ASN A 2 13.734 9.021 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 2 11.937 9.788 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.719 11.912 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.373 11.609 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.761 13.089 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.343 12.511 -1.748 1.00 0.00 H new ATOM 28 N PHE A 3 10.603 7.903 -4.091 1.00 0.00 N ATOM 29 CA PHE A 3 9.470 7.093 -4.527 1.00 0.00 C ATOM 30 C PHE A 3 8.198 7.498 -3.788 1.00 0.00 C ATOM 31 O PHE A 3 8.095 7.328 -2.573 1.00 0.00 O ATOM 32 CB PHE A 3 9.760 5.608 -4.296 1.00 0.00 C ATOM 33 CG PHE A 3 8.618 4.705 -4.668 1.00 0.00 C ATOM 34 CD1 PHE A 3 8.422 4.318 -5.984 1.00 0.00 C ATOM 35 CD2 PHE A 3 7.739 4.245 -3.700 1.00 0.00 C ATOM 36 CE1 PHE A 3 7.371 3.489 -6.328 1.00 0.00 C ATOM 37 CE2 PHE A 3 6.686 3.416 -4.038 1.00 0.00 C ATOM 38 CZ PHE A 3 6.502 3.037 -5.353 1.00 0.00 C ATOM 0 H PHE A 3 11.371 7.369 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 3 9.319 7.264 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.639 5.324 -4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.006 5.454 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.098 4.668 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.879 4.538 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.229 3.195 -7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.008 3.065 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.680 2.388 -5.619 1.00 0.00 H new ATOM 48 N LEU A 4 7.232 8.031 -4.529 1.00 0.00 N ATOM 49 CA LEU A 4 5.966 8.457 -3.943 1.00 0.00 C ATOM 50 C LEU A 4 4.792 7.773 -4.634 1.00 0.00 C ATOM 51 O LEU A 4 4.352 8.200 -5.702 1.00 0.00 O ATOM 52 CB LEU A 4 5.817 9.977 -4.044 1.00 0.00 C ATOM 53 CG LEU A 4 5.810 10.535 -5.470 1.00 0.00 C ATOM 54 CD1 LEU A 4 4.400 10.923 -5.888 1.00 0.00 C ATOM 55 CD2 LEU A 4 6.746 11.730 -5.582 1.00 0.00 C ATOM 0 H LEU A 4 7.302 8.178 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 4 5.966 8.169 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.890 10.269 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.632 10.444 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 4 6.165 9.755 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.417 11.317 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.755 10.045 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.016 11.685 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.727 12.112 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.422 12.512 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.761 11.423 -5.328 1.00 0.00 H new ATOM 67 N ASN A 5 4.287 6.707 -4.020 1.00 0.00 N ATOM 68 CA ASN A 5 3.164 5.964 -4.577 1.00 0.00 C ATOM 69 C ASN A 5 1.839 6.617 -4.199 1.00 0.00 C ATOM 70 O ASN A 5 1.279 6.339 -3.138 1.00 0.00 O ATOM 71 CB ASN A 5 3.191 4.515 -4.089 1.00 0.00 C ATOM 72 CG ASN A 5 2.723 3.540 -5.151 1.00 0.00 C ATOM 73 OD1 ASN A 5 1.812 2.746 -4.922 1.00 0.00 O ATOM 74 ND2 ASN A 5 3.349 3.595 -6.321 1.00 0.00 N ATOM 0 H ASN A 5 4.639 6.339 -3.136 1.00 0.00 H new ATOM 0 HA ASN A 5 3.256 5.975 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.205 4.256 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.558 4.419 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.079 2.962 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.100 4.270 -6.467 1.00 0.00 H new ATOM 81 N CYS A 6 1.345 7.491 -5.070 1.00 0.00 N ATOM 82 CA CYS A 6 0.086 8.186 -4.824 1.00 0.00 C ATOM 83 C CYS A 6 -1.096 7.388 -5.363 1.00 0.00 C ATOM 84 O CYS A 6 -1.352 7.376 -6.568 1.00 0.00 O ATOM 85 CB CYS A 6 0.113 9.574 -5.465 1.00 0.00 C ATOM 86 SG CYS A 6 0.893 10.845 -4.441 1.00 0.00 S ATOM 0 H CYS A 6 1.797 7.735 -5.952 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.035 8.291 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.642 9.513 -6.416 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.909 9.879 -5.688 1.00 0.00 H new ATOM 0 HG CYS A 6 0.889 10.464 -3.198 1.00 0.00 H new ATOM 92 N TYR A 7 -1.813 6.723 -4.465 1.00 0.00 N ATOM 93 CA TYR A 7 -2.970 5.923 -4.849 1.00 0.00 C ATOM 94 C TYR A 7 -4.263 6.597 -4.403 1.00 0.00 C ATOM 95 O TYR A 7 -4.493 6.796 -3.210 1.00 0.00 O ATOM 96 CB TYR A 7 -2.872 4.523 -4.240 1.00 0.00 C ATOM 97 CG TYR A 7 -3.964 3.580 -4.697 1.00 0.00 C ATOM 98 CD1 TYR A 7 -5.284 3.771 -4.310 1.00 0.00 C ATOM 99 CD2 TYR A 7 -3.670 2.496 -5.514 1.00 0.00 C ATOM 100 CE1 TYR A 7 -6.282 2.908 -4.725 1.00 0.00 C ATOM 101 CE2 TYR A 7 -4.663 1.628 -5.933 1.00 0.00 C ATOM 102 CZ TYR A 7 -5.965 1.840 -5.536 1.00 0.00 C ATOM 103 OH TYR A 7 -6.954 0.979 -5.952 1.00 0.00 O ATOM 0 H TYR A 7 -1.613 6.722 -3.465 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.981 5.837 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.903 4.093 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.908 4.606 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.535 4.607 -3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.650 2.328 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.304 3.070 -4.415 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.419 0.789 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.427 0.622 -5.171 1.00 0.00 H new ATOM 113 N VAL A 8 -5.105 6.949 -5.367 1.00 0.00 N ATOM 114 CA VAL A 8 -6.374 7.601 -5.071 1.00 0.00 C ATOM 115 C VAL A 8 -7.546 6.785 -5.610 1.00 0.00 C ATOM 116 O VAL A 8 -8.002 7.005 -6.732 1.00 0.00 O ATOM 117 CB VAL A 8 -6.423 9.025 -5.665 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.224 8.987 -7.174 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.733 9.711 -5.305 1.00 0.00 C ATOM 0 H VAL A 8 -4.932 6.794 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.456 7.670 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.607 9.605 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.262 10.001 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.255 8.544 -7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.013 8.389 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.748 10.713 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.567 9.134 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.823 9.778 -4.221 1.00 0.00 H new ATOM 129 N SER A 9 -8.035 5.841 -4.804 1.00 0.00 N ATOM 130 CA SER A 9 -9.156 4.997 -5.211 1.00 0.00 C ATOM 131 C SER A 9 -8.954 4.460 -6.628 1.00 0.00 C ATOM 132 O SER A 9 -7.867 4.570 -7.194 1.00 0.00 O ATOM 133 CB SER A 9 -10.463 5.786 -5.137 1.00 0.00 C ATOM 134 OG SER A 9 -10.528 6.761 -6.163 1.00 0.00 O ATOM 0 H SER A 9 -7.674 5.643 -3.871 1.00 0.00 H new ATOM 0 HA SER A 9 -9.207 4.150 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.309 5.104 -5.225 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.544 6.271 -4.164 1.00 0.00 H new ATOM 0 HG SER A 9 -9.659 6.821 -6.613 1.00 0.00 H new ATOM 140 N GLY A 10 -10.011 3.890 -7.200 1.00 0.00 N ATOM 141 CA GLY A 10 -9.929 3.358 -8.547 1.00 0.00 C ATOM 142 C GLY A 10 -9.450 1.920 -8.589 1.00 0.00 C ATOM 143 O GLY A 10 -8.830 1.434 -7.643 1.00 0.00 O ATOM 0 H GLY A 10 -10.922 3.788 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.910 3.422 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.253 3.978 -9.136 1.00 0.00 H new ATOM 147 N PHE A 11 -9.739 1.241 -9.697 1.00 0.00 N ATOM 148 CA PHE A 11 -9.338 -0.151 -9.879 1.00 0.00 C ATOM 149 C PHE A 11 -9.861 -0.690 -11.207 1.00 0.00 C ATOM 150 O PHE A 11 -11.069 -0.820 -11.403 1.00 0.00 O ATOM 151 CB PHE A 11 -9.849 -1.015 -8.724 1.00 0.00 C ATOM 152 CG PHE A 11 -8.822 -1.977 -8.201 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.240 -2.914 -9.042 1.00 0.00 C ATOM 154 CD2 PHE A 11 -8.436 -1.945 -6.872 1.00 0.00 C ATOM 155 CE1 PHE A 11 -7.291 -3.799 -8.565 1.00 0.00 C ATOM 156 CE2 PHE A 11 -7.487 -2.827 -6.388 1.00 0.00 C ATOM 157 CZ PHE A 11 -6.915 -3.756 -7.236 1.00 0.00 C ATOM 0 H PHE A 11 -10.252 1.635 -10.486 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.249 -0.192 -9.889 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.176 -0.366 -7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.724 -1.574 -9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.531 -2.953 -10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.882 -1.222 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.844 -4.523 -9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.194 -2.790 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.175 -4.447 -6.861 1.00 0.00 H new ATOM 167 N HIS A 12 -8.944 -0.997 -12.121 1.00 0.00 N ATOM 168 CA HIS A 12 -9.319 -1.515 -13.433 1.00 0.00 C ATOM 169 C HIS A 12 -9.351 -3.043 -13.442 1.00 0.00 C ATOM 170 O HIS A 12 -10.358 -3.645 -13.817 1.00 0.00 O ATOM 171 CB HIS A 12 -8.358 -1.008 -14.519 1.00 0.00 C ATOM 172 CG HIS A 12 -7.527 0.170 -14.105 1.00 0.00 C ATOM 173 ND1 HIS A 12 -8.061 1.413 -13.838 1.00 0.00 N ATOM 174 CD2 HIS A 12 -6.192 0.287 -13.912 1.00 0.00 C ATOM 175 CE1 HIS A 12 -7.091 2.243 -13.500 1.00 0.00 C ATOM 176 NE2 HIS A 12 -5.948 1.586 -13.537 1.00 0.00 N ATOM 0 H HIS A 12 -7.939 -0.896 -11.978 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.322 -1.148 -13.650 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.694 -1.822 -14.810 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.936 -0.738 -15.402 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.456 -0.495 -14.031 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.213 3.284 -13.238 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.031 1.979 -13.322 1.00 0.00 H new ATOM 185 N PRO A 13 -8.248 -3.696 -13.036 1.00 0.00 N ATOM 186 CA PRO A 13 -8.164 -5.153 -13.012 1.00 0.00 C ATOM 187 C PRO A 13 -8.769 -5.759 -11.738 1.00 0.00 C ATOM 188 O PRO A 13 -9.983 -5.940 -11.656 1.00 0.00 O ATOM 189 CB PRO A 13 -6.660 -5.403 -13.104 1.00 0.00 C ATOM 190 CG PRO A 13 -6.034 -4.227 -12.428 1.00 0.00 C ATOM 191 CD PRO A 13 -6.994 -3.069 -12.576 1.00 0.00 C ATOM 0 HA PRO A 13 -8.732 -5.622 -13.815 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.383 -6.335 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.335 -5.482 -14.141 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.848 -4.441 -11.376 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.071 -3.990 -12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.134 -2.544 -11.631 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.627 -2.337 -13.296 1.00 0.00 H new ATOM 199 N SER A 14 -7.929 -6.072 -10.748 1.00 0.00 N ATOM 200 CA SER A 14 -8.409 -6.655 -9.499 1.00 0.00 C ATOM 201 C SER A 14 -7.258 -6.888 -8.523 1.00 0.00 C ATOM 202 O SER A 14 -7.311 -6.454 -7.372 1.00 0.00 O ATOM 203 CB SER A 14 -9.131 -7.977 -9.771 1.00 0.00 C ATOM 204 OG SER A 14 -8.208 -9.043 -9.910 1.00 0.00 O ATOM 0 H SER A 14 -6.920 -5.931 -10.789 1.00 0.00 H new ATOM 0 HA SER A 14 -9.107 -5.950 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.821 -8.193 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.729 -7.889 -10.678 1.00 0.00 H new ATOM 0 HG SER A 14 -8.694 -9.876 -10.082 1.00 0.00 H new ATOM 210 N ASP A 15 -6.224 -7.582 -8.987 1.00 0.00 N ATOM 211 CA ASP A 15 -5.065 -7.880 -8.150 1.00 0.00 C ATOM 212 C ASP A 15 -3.810 -7.189 -8.676 1.00 0.00 C ATOM 213 O ASP A 15 -3.039 -7.775 -9.436 1.00 0.00 O ATOM 214 CB ASP A 15 -4.836 -9.391 -8.084 1.00 0.00 C ATOM 215 CG ASP A 15 -4.712 -10.017 -9.459 1.00 0.00 C ATOM 216 OD1 ASP A 15 -5.760 -10.304 -10.077 1.00 0.00 O ATOM 217 OD2 ASP A 15 -3.569 -10.221 -9.918 1.00 0.00 O ATOM 0 H ASP A 15 -6.164 -7.949 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.269 -7.501 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.930 -9.594 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.662 -9.858 -7.548 1.00 0.00 H new ATOM 222 N ILE A 16 -3.610 -5.941 -8.259 1.00 0.00 N ATOM 223 CA ILE A 16 -2.446 -5.167 -8.679 1.00 0.00 C ATOM 224 C ILE A 16 -2.137 -4.065 -7.667 1.00 0.00 C ATOM 225 O ILE A 16 -2.720 -4.031 -6.585 1.00 0.00 O ATOM 226 CB ILE A 16 -2.657 -4.534 -10.073 1.00 0.00 C ATOM 227 CG1 ILE A 16 -3.730 -3.443 -10.016 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.040 -5.599 -11.089 1.00 0.00 C ATOM 229 CD1 ILE A 16 -3.175 -2.063 -9.737 1.00 0.00 C ATOM 0 H ILE A 16 -4.240 -5.444 -7.630 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.605 -5.858 -8.734 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.718 -4.077 -10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.268 -3.424 -10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.455 -3.698 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.185 -5.136 -12.065 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.245 -6.342 -11.154 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.965 -6.084 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.991 -1.341 -9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.661 -2.065 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.472 -1.788 -10.523 1.00 0.00 H new ATOM 241 N GLU A 17 -1.221 -3.166 -8.032 1.00 0.00 N ATOM 242 CA GLU A 17 -0.827 -2.045 -7.173 1.00 0.00 C ATOM 243 C GLU A 17 0.533 -1.494 -7.601 1.00 0.00 C ATOM 244 O GLU A 17 0.610 -0.510 -8.337 1.00 0.00 O ATOM 245 CB GLU A 17 -0.788 -2.459 -5.692 1.00 0.00 C ATOM 246 CG GLU A 17 -0.145 -1.426 -4.779 1.00 0.00 C ATOM 247 CD GLU A 17 -0.854 -0.087 -4.824 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.042 -0.056 -5.211 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.223 0.931 -4.472 1.00 0.00 O ATOM 0 H GLU A 17 -0.733 -3.193 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.578 -1.263 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.806 -2.647 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.243 -3.398 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.147 -1.800 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.898 -1.291 -5.067 1.00 0.00 H new ATOM 256 N VAL A 18 1.603 -2.135 -7.137 1.00 0.00 N ATOM 257 CA VAL A 18 2.956 -1.709 -7.474 1.00 0.00 C ATOM 258 C VAL A 18 3.857 -2.911 -7.736 1.00 0.00 C ATOM 259 O VAL A 18 3.782 -3.919 -7.033 1.00 0.00 O ATOM 260 CB VAL A 18 3.574 -0.849 -6.350 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.957 -0.354 -6.752 1.00 0.00 C ATOM 262 CG2 VAL A 18 2.661 0.321 -6.004 1.00 0.00 C ATOM 0 H VAL A 18 1.558 -2.951 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 18 2.883 -1.107 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 18 3.680 -1.472 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.376 0.250 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.608 -1.207 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.879 0.250 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.115 0.914 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.518 0.945 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.696 -0.058 -5.667 1.00 0.00 H new ATOM 272 N ASP A 19 4.706 -2.799 -8.751 1.00 0.00 N ATOM 273 CA ASP A 19 5.621 -3.879 -9.105 1.00 0.00 C ATOM 274 C ASP A 19 6.856 -3.335 -9.817 1.00 0.00 C ATOM 275 O ASP A 19 6.924 -3.333 -11.046 1.00 0.00 O ATOM 276 CB ASP A 19 4.915 -4.902 -9.997 1.00 0.00 C ATOM 277 CG ASP A 19 5.714 -6.182 -10.155 1.00 0.00 C ATOM 278 OD1 ASP A 19 6.106 -6.766 -9.123 1.00 0.00 O ATOM 279 OD2 ASP A 19 5.944 -6.598 -11.309 1.00 0.00 O ATOM 0 H ASP A 19 4.780 -1.972 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 19 5.940 -4.367 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.939 -5.137 -9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.739 -4.463 -10.979 1.00 0.00 H new ATOM 284 N LEU A 20 7.829 -2.877 -9.038 1.00 0.00 N ATOM 285 CA LEU A 20 9.061 -2.331 -9.597 1.00 0.00 C ATOM 286 C LEU A 20 10.080 -3.440 -9.847 1.00 0.00 C ATOM 287 O LEU A 20 10.915 -3.729 -8.990 1.00 0.00 O ATOM 288 CB LEU A 20 9.652 -1.277 -8.656 1.00 0.00 C ATOM 289 CG LEU A 20 9.331 0.171 -9.027 1.00 0.00 C ATOM 290 CD1 LEU A 20 9.947 0.528 -10.371 1.00 0.00 C ATOM 291 CD2 LEU A 20 7.828 0.395 -9.052 1.00 0.00 C ATOM 0 H LEU A 20 7.789 -2.873 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 20 8.822 -1.859 -10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.287 -1.467 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.735 -1.399 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 20 9.763 0.823 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.708 1.562 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.029 0.409 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.546 -0.131 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.619 1.431 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.374 -0.267 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.412 0.182 -8.067 1.00 0.00 H new ATOM 303 N LEU A 21 9.995 -4.053 -11.032 1.00 0.00 N ATOM 304 CA LEU A 21 10.895 -5.138 -11.434 1.00 0.00 C ATOM 305 C LEU A 21 11.316 -6.006 -10.249 1.00 0.00 C ATOM 306 O LEU A 21 12.277 -5.694 -9.545 1.00 0.00 O ATOM 307 CB LEU A 21 12.134 -4.576 -12.140 1.00 0.00 C ATOM 308 CG LEU A 21 13.036 -3.686 -11.279 1.00 0.00 C ATOM 309 CD1 LEU A 21 14.434 -4.279 -11.176 1.00 0.00 C ATOM 310 CD2 LEU A 21 13.096 -2.275 -11.848 1.00 0.00 C ATOM 0 H LEU A 21 9.301 -3.811 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 21 10.342 -5.772 -12.127 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.727 -5.410 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.808 -4.002 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 21 12.610 -3.635 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.059 -3.632 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.377 -5.268 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.868 -4.362 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.741 -1.658 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.496 -2.308 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.093 -1.848 -11.868 1.00 0.00 H new ATOM 322 N LYS A 22 10.593 -7.101 -10.040 1.00 0.00 N ATOM 323 CA LYS A 22 10.894 -8.017 -8.945 1.00 0.00 C ATOM 324 C LYS A 22 11.858 -9.109 -9.397 1.00 0.00 C ATOM 325 O LYS A 22 12.130 -10.027 -8.596 1.00 0.00 O ATOM 326 CB LYS A 22 9.607 -8.647 -8.397 1.00 0.00 C ATOM 327 CG LYS A 22 8.619 -9.074 -9.473 1.00 0.00 C ATOM 328 CD LYS A 22 9.259 -10.015 -10.482 1.00 0.00 C ATOM 329 CE LYS A 22 8.223 -10.896 -11.162 1.00 0.00 C ATOM 330 NZ LYS A 22 8.091 -10.581 -12.611 1.00 0.00 N ATOM 331 OXT LYS A 22 12.333 -9.036 -10.551 1.00 0.00 O ATOM 0 H LYS A 22 9.795 -7.376 -10.613 1.00 0.00 H new ATOM 0 HA LYS A 22 11.370 -7.442 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.869 -9.516 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.119 -7.933 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.764 -9.565 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.238 -8.192 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.793 -9.434 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.996 -10.641 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.502 -11.943 -11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.258 -10.765 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.375 -11.203 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.800 -9.589 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.005 -10.730 -13.083 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 15.563 4.024 -0.841 1.00 0.00 N ATOM 347 CA SER B 23 15.587 5.177 -1.779 1.00 0.00 C ATOM 348 C SER B 23 14.338 6.040 -1.624 1.00 0.00 C ATOM 349 O SER B 23 13.697 6.405 -2.608 1.00 0.00 O ATOM 350 CB SER B 23 15.686 4.640 -3.208 1.00 0.00 C ATOM 351 OG SER B 23 16.910 3.958 -3.415 1.00 0.00 O ATOM 0 HA SER B 23 16.449 5.805 -1.553 1.00 0.00 H new ATOM 0 HB2 SER B 23 14.853 3.965 -3.404 1.00 0.00 H new ATOM 0 HB3 SER B 23 15.602 5.465 -3.916 1.00 0.00 H new ATOM 0 HG SER B 23 17.117 3.412 -2.628 1.00 0.00 H new ATOM 359 N ASN B 24 13.999 6.362 -0.380 1.00 0.00 N ATOM 360 CA ASN B 24 12.828 7.182 -0.094 1.00 0.00 C ATOM 361 C ASN B 24 11.554 6.504 -0.588 1.00 0.00 C ATOM 362 O ASN B 24 11.134 6.705 -1.728 1.00 0.00 O ATOM 363 CB ASN B 24 12.973 8.560 -0.743 1.00 0.00 C ATOM 364 CG ASN B 24 13.859 9.489 0.064 1.00 0.00 C ATOM 365 OD1 ASN B 24 13.951 9.371 1.286 1.00 0.00 O ATOM 366 ND2 ASN B 24 14.517 10.419 -0.618 1.00 0.00 N ATOM 0 H ASN B 24 14.519 6.067 0.446 1.00 0.00 H new ATOM 0 HA ASN B 24 12.756 7.304 0.987 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.388 8.445 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN B 24 11.987 9.011 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.129 11.072 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.411 10.480 -1.631 1.00 0.00 H new ATOM 373 N PHE B 25 10.944 5.701 0.277 1.00 0.00 N ATOM 374 CA PHE B 25 9.716 4.994 -0.069 1.00 0.00 C ATOM 375 C PHE B 25 8.516 5.625 0.630 1.00 0.00 C ATOM 376 O PHE B 25 8.440 5.648 1.859 1.00 0.00 O ATOM 377 CB PHE B 25 9.831 3.516 0.315 1.00 0.00 C ATOM 378 CG PHE B 25 8.571 2.732 0.080 1.00 0.00 C ATOM 379 CD1 PHE B 25 7.602 2.646 1.064 1.00 0.00 C ATOM 380 CD2 PHE B 25 8.360 2.080 -1.124 1.00 0.00 C ATOM 381 CE1 PHE B 25 6.441 1.924 0.854 1.00 0.00 C ATOM 382 CE2 PHE B 25 7.203 1.356 -1.342 1.00 0.00 C ATOM 383 CZ PHE B 25 6.242 1.277 -0.352 1.00 0.00 C ATOM 0 H PHE B 25 11.280 5.523 1.224 1.00 0.00 H new ATOM 0 HA PHE B 25 9.568 5.070 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.642 3.063 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.103 3.443 1.368 1.00 0.00 H new ATOM 0 HD1 PHE B 25 7.754 3.149 2.008 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.108 2.138 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE B 25 5.692 1.866 1.630 1.00 0.00 H new ATOM 0 HE2 PHE B 25 7.050 0.852 -2.285 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.337 0.711 -0.520 1.00 0.00 H new ATOM 393 N LEU B 26 7.578 6.138 -0.161 1.00 0.00 N ATOM 394 CA LEU B 26 6.384 6.771 0.385 1.00 0.00 C ATOM 395 C LEU B 26 5.124 6.249 -0.300 1.00 0.00 C ATOM 396 O LEU B 26 4.736 6.736 -1.362 1.00 0.00 O ATOM 397 CB LEU B 26 6.471 8.291 0.233 1.00 0.00 C ATOM 398 CG LEU B 26 7.831 8.901 0.582 1.00 0.00 C ATOM 399 CD1 LEU B 26 8.606 9.239 -0.683 1.00 0.00 C ATOM 400 CD2 LEU B 26 7.655 10.140 1.448 1.00 0.00 C ATOM 0 H LEU B 26 7.622 6.127 -1.180 1.00 0.00 H new ATOM 0 HA LEU B 26 6.326 6.522 1.445 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.226 8.552 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.711 8.748 0.867 1.00 0.00 H new ATOM 0 HG LEU B 26 8.402 8.165 1.148 1.00 0.00 H new ATOM 0 HD11 LEU B 26 9.570 9.671 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.765 8.332 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.039 9.956 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 26 8.633 10.560 1.686 1.00 0.00 H new ATOM 0 HD22 LEU B 26 7.064 10.880 0.908 1.00 0.00 H new ATOM 0 HD23 LEU B 26 7.142 9.869 2.371 1.00 0.00 H new ATOM 412 N ASN B 27 4.488 5.261 0.319 1.00 0.00 N ATOM 413 CA ASN B 27 3.269 4.675 -0.225 1.00 0.00 C ATOM 414 C ASN B 27 2.042 5.202 0.514 1.00 0.00 C ATOM 415 O ASN B 27 1.819 4.874 1.680 1.00 0.00 O ATOM 416 CB ASN B 27 3.320 3.151 -0.127 1.00 0.00 C ATOM 417 CG ASN B 27 2.656 2.474 -1.310 1.00 0.00 C ATOM 418 OD1 ASN B 27 3.294 1.728 -2.053 1.00 0.00 O ATOM 419 ND2 ASN B 27 1.366 2.734 -1.493 1.00 0.00 N ATOM 0 H ASN B 27 4.797 4.849 1.199 1.00 0.00 H new ATOM 0 HA ASN B 27 3.194 4.960 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.359 2.828 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN B 27 2.830 2.832 0.793 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.866 2.309 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.876 3.359 -0.853 1.00 0.00 H new ATOM 426 N CYS B 28 1.251 6.019 -0.173 1.00 0.00 N ATOM 427 CA CYS B 28 0.045 6.592 0.416 1.00 0.00 C ATOM 428 C CYS B 28 -1.172 6.306 -0.457 1.00 0.00 C ATOM 429 O CYS B 28 -1.156 6.566 -1.659 1.00 0.00 O ATOM 430 CB CYS B 28 0.212 8.100 0.604 1.00 0.00 C ATOM 431 SG CYS B 28 0.511 9.005 -0.933 1.00 0.00 S ATOM 0 H CYS B 28 1.423 6.300 -1.138 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.112 6.128 1.390 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.685 8.498 1.079 1.00 0.00 H new ATOM 0 HB3 CYS B 28 1.042 8.281 1.287 1.00 0.00 H new ATOM 0 HG CYS B 28 0.637 10.272 -0.673 1.00 0.00 H new ATOM 437 N TYR B 29 -2.227 5.769 0.152 1.00 0.00 N ATOM 438 CA TYR B 29 -3.444 5.455 -0.589 1.00 0.00 C ATOM 439 C TYR B 29 -4.688 5.940 0.152 1.00 0.00 C ATOM 440 O TYR B 29 -4.676 6.103 1.373 1.00 0.00 O ATOM 441 CB TYR B 29 -3.535 3.945 -0.855 1.00 0.00 C ATOM 442 CG TYR B 29 -4.002 3.123 0.330 1.00 0.00 C ATOM 443 CD1 TYR B 29 -5.321 3.178 0.764 1.00 0.00 C ATOM 444 CD2 TYR B 29 -3.124 2.289 1.012 1.00 0.00 C ATOM 445 CE1 TYR B 29 -5.752 2.428 1.842 1.00 0.00 C ATOM 446 CE2 TYR B 29 -3.548 1.534 2.090 1.00 0.00 C ATOM 447 CZ TYR B 29 -4.861 1.608 2.501 1.00 0.00 C ATOM 448 OH TYR B 29 -5.286 0.859 3.575 1.00 0.00 O ATOM 0 H TYR B 29 -2.263 5.544 1.146 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.398 5.979 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -4.217 3.777 -1.689 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -2.555 3.585 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -6.022 3.818 0.250 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -2.093 2.230 0.695 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -6.781 2.484 2.166 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -2.853 0.889 2.607 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.726 1.058 4.354 1.00 0.00 H new ATOM 458 N VAL B 30 -5.764 6.156 -0.598 1.00 0.00 N ATOM 459 CA VAL B 30 -7.022 6.609 -0.021 1.00 0.00 C ATOM 460 C VAL B 30 -8.178 5.722 -0.479 1.00 0.00 C ATOM 461 O VAL B 30 -8.292 5.397 -1.665 1.00 0.00 O ATOM 462 CB VAL B 30 -7.322 8.077 -0.387 1.00 0.00 C ATOM 463 CG1 VAL B 30 -6.159 8.972 0.011 1.00 0.00 C ATOM 464 CG2 VAL B 30 -7.626 8.215 -1.873 1.00 0.00 C ATOM 0 H VAL B 30 -5.788 6.024 -1.609 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.920 6.539 1.062 1.00 0.00 H new ATOM 0 HB VAL B 30 -8.205 8.394 0.167 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -6.387 10.004 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -5.997 8.901 1.087 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -5.258 8.653 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -7.834 9.259 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -6.767 7.878 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -8.495 7.607 -2.125 1.00 0.00 H new ATOM 474 N SER B 31 -9.024 5.331 0.472 1.00 0.00 N ATOM 475 CA SER B 31 -10.172 4.471 0.188 1.00 0.00 C ATOM 476 C SER B 31 -10.919 4.924 -1.065 1.00 0.00 C ATOM 477 O SER B 31 -10.691 6.021 -1.576 1.00 0.00 O ATOM 478 CB SER B 31 -11.127 4.458 1.385 1.00 0.00 C ATOM 479 OG SER B 31 -12.438 4.089 0.993 1.00 0.00 O ATOM 0 H SER B 31 -8.935 5.598 1.452 1.00 0.00 H new ATOM 0 HA SER B 31 -9.795 3.464 0.009 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.760 3.761 2.138 1.00 0.00 H new ATOM 0 HB3 SER B 31 -11.147 5.445 1.848 1.00 0.00 H new ATOM 0 HG SER B 31 -12.850 3.548 1.699 1.00 0.00 H new ATOM 485 N GLY B 32 -11.814 4.068 -1.552 1.00 0.00 N ATOM 486 CA GLY B 32 -12.582 4.394 -2.737 1.00 0.00 C ATOM 487 C GLY B 32 -12.983 3.167 -3.533 1.00 0.00 C ATOM 488 O GLY B 32 -14.086 3.107 -4.078 1.00 0.00 O ATOM 0 H GLY B 32 -12.019 3.155 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -13.478 4.941 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -11.997 5.058 -3.372 1.00 0.00 H new ATOM 492 N PHE B 33 -12.089 2.185 -3.605 1.00 0.00 N ATOM 493 CA PHE B 33 -12.365 0.959 -4.347 1.00 0.00 C ATOM 494 C PHE B 33 -13.015 -0.092 -3.451 1.00 0.00 C ATOM 495 O PHE B 33 -12.979 0.012 -2.226 1.00 0.00 O ATOM 496 CB PHE B 33 -11.079 0.403 -4.965 1.00 0.00 C ATOM 497 CG PHE B 33 -9.987 0.127 -3.968 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.120 -0.890 -3.036 1.00 0.00 C ATOM 499 CD2 PHE B 33 -8.824 0.880 -3.971 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.113 -1.150 -2.126 1.00 0.00 C ATOM 501 CE2 PHE B 33 -7.813 0.623 -3.063 1.00 0.00 C ATOM 502 CZ PHE B 33 -7.958 -0.393 -2.140 1.00 0.00 C ATOM 0 H PHE B 33 -11.171 2.214 -3.161 1.00 0.00 H new ATOM 0 HA PHE B 33 -13.063 1.204 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -11.313 -0.520 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -10.709 1.112 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -11.021 -1.486 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -8.706 1.677 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -9.229 -1.945 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -6.911 1.217 -3.076 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.170 -0.596 -1.430 1.00 0.00 H new ATOM 512 N HIS B 34 -13.612 -1.104 -4.076 1.00 0.00 N ATOM 513 CA HIS B 34 -14.278 -2.175 -3.341 1.00 0.00 C ATOM 514 C HIS B 34 -13.294 -3.287 -2.983 1.00 0.00 C ATOM 515 O HIS B 34 -12.152 -3.287 -3.440 1.00 0.00 O ATOM 516 CB HIS B 34 -15.434 -2.742 -4.168 1.00 0.00 C ATOM 517 CG HIS B 34 -16.782 -2.298 -3.691 1.00 0.00 C ATOM 518 ND1 HIS B 34 -17.735 -3.171 -3.206 1.00 0.00 N ATOM 519 CD2 HIS B 34 -17.336 -1.064 -3.624 1.00 0.00 C ATOM 520 CE1 HIS B 34 -18.816 -2.492 -2.863 1.00 0.00 C ATOM 521 NE2 HIS B 34 -18.599 -1.213 -3.105 1.00 0.00 N ATOM 0 H HIS B 34 -13.648 -1.204 -5.090 1.00 0.00 H new ATOM 0 HA HIS B 34 -14.673 -1.758 -2.415 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -15.308 -2.442 -5.208 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -15.389 -3.831 -4.143 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -16.871 -0.136 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -19.723 -2.913 -2.454 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -19.262 -0.457 -2.934 1.00 0.00 H new ATOM 530 N PRO B 35 -13.728 -4.258 -2.156 1.00 0.00 N ATOM 531 CA PRO B 35 -12.882 -5.378 -1.736 1.00 0.00 C ATOM 532 C PRO B 35 -12.056 -5.952 -2.883 1.00 0.00 C ATOM 533 O PRO B 35 -12.525 -6.809 -3.633 1.00 0.00 O ATOM 534 CB PRO B 35 -13.900 -6.404 -1.242 1.00 0.00 C ATOM 535 CG PRO B 35 -15.028 -5.585 -0.717 1.00 0.00 C ATOM 536 CD PRO B 35 -15.080 -4.339 -1.566 1.00 0.00 C ATOM 0 HA PRO B 35 -12.147 -5.081 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -14.227 -7.059 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -13.477 -7.041 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -15.967 -6.135 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -14.871 -5.334 0.332 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -15.849 -4.411 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -15.309 -3.457 -0.968 1.00 0.00 H new ATOM 544 N SER B 36 -10.824 -5.473 -3.012 1.00 0.00 N ATOM 545 CA SER B 36 -9.930 -5.933 -4.067 1.00 0.00 C ATOM 546 C SER B 36 -8.619 -6.449 -3.480 1.00 0.00 C ATOM 547 O SER B 36 -8.519 -6.691 -2.277 1.00 0.00 O ATOM 548 CB SER B 36 -9.653 -4.799 -5.056 1.00 0.00 C ATOM 549 OG SER B 36 -9.767 -5.251 -6.394 1.00 0.00 O ATOM 0 H SER B 36 -10.421 -4.765 -2.398 1.00 0.00 H new ATOM 0 HA SER B 36 -10.417 -6.753 -4.594 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.354 -3.982 -4.884 1.00 0.00 H new ATOM 0 HB3 SER B 36 -8.652 -4.401 -4.887 1.00 0.00 H new ATOM 0 HG SER B 36 -8.912 -5.632 -6.684 1.00 0.00 H new ATOM 555 N ASP B 37 -7.615 -6.613 -4.336 1.00 0.00 N ATOM 556 CA ASP B 37 -6.312 -7.100 -3.901 1.00 0.00 C ATOM 557 C ASP B 37 -5.204 -6.133 -4.307 1.00 0.00 C ATOM 558 O ASP B 37 -4.835 -6.051 -5.479 1.00 0.00 O ATOM 559 CB ASP B 37 -6.039 -8.484 -4.491 1.00 0.00 C ATOM 560 CG ASP B 37 -5.371 -9.414 -3.497 1.00 0.00 C ATOM 561 OD1 ASP B 37 -6.019 -9.774 -2.492 1.00 0.00 O ATOM 562 OD2 ASP B 37 -4.200 -9.783 -3.726 1.00 0.00 O ATOM 0 H ASP B 37 -7.680 -6.416 -5.335 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.324 -7.172 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -6.978 -8.926 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -5.405 -8.382 -5.372 1.00 0.00 H new ATOM 567 N ILE B 38 -4.673 -5.407 -3.329 1.00 0.00 N ATOM 568 CA ILE B 38 -3.600 -4.451 -3.581 1.00 0.00 C ATOM 569 C ILE B 38 -2.280 -4.970 -3.023 1.00 0.00 C ATOM 570 O ILE B 38 -2.139 -5.159 -1.815 1.00 0.00 O ATOM 571 CB ILE B 38 -3.900 -3.062 -2.971 1.00 0.00 C ATOM 572 CG1 ILE B 38 -4.752 -3.191 -1.699 1.00 0.00 C ATOM 573 CG2 ILE B 38 -4.585 -2.171 -3.999 1.00 0.00 C ATOM 574 CD1 ILE B 38 -6.243 -3.295 -1.957 1.00 0.00 C ATOM 0 H ILE B 38 -4.968 -5.462 -2.354 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.527 -4.338 -4.663 1.00 0.00 H new ATOM 0 HB ILE B 38 -2.955 -2.599 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.428 -4.073 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -4.564 -2.328 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -4.790 -1.196 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.934 -2.047 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -5.522 -2.632 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.771 -3.383 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -6.585 -2.402 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -6.446 -4.175 -2.568 1.00 0.00 H new ATOM 586 N GLU B 39 -1.317 -5.214 -3.908 1.00 0.00 N ATOM 587 CA GLU B 39 -0.016 -5.731 -3.487 1.00 0.00 C ATOM 588 C GLU B 39 1.134 -4.891 -4.036 1.00 0.00 C ATOM 589 O GLU B 39 1.331 -4.804 -5.249 1.00 0.00 O ATOM 590 CB GLU B 39 0.144 -7.184 -3.936 1.00 0.00 C ATOM 591 CG GLU B 39 0.023 -7.373 -5.439 1.00 0.00 C ATOM 592 CD GLU B 39 0.007 -8.834 -5.844 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.465 -9.677 -5.044 1.00 0.00 O ATOM 594 OE2 GLU B 39 -0.465 -9.136 -6.960 1.00 0.00 O ATOM 0 H GLU B 39 -1.410 -5.064 -4.913 1.00 0.00 H new ATOM 0 HA GLU B 39 0.021 -5.678 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU B 39 1.117 -7.552 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.611 -7.794 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.891 -6.893 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.856 -6.872 -5.933 1.00 0.00 H new ATOM 601 N VAL B 40 1.900 -4.287 -3.132 1.00 0.00 N ATOM 602 CA VAL B 40 3.041 -3.465 -3.519 1.00 0.00 C ATOM 603 C VAL B 40 4.327 -4.284 -3.526 1.00 0.00 C ATOM 604 O VAL B 40 4.705 -4.872 -2.513 1.00 0.00 O ATOM 605 CB VAL B 40 3.225 -2.265 -2.569 1.00 0.00 C ATOM 606 CG1 VAL B 40 4.341 -1.355 -3.064 1.00 0.00 C ATOM 607 CG2 VAL B 40 1.923 -1.491 -2.423 1.00 0.00 C ATOM 0 H VAL B 40 1.750 -4.352 -2.125 1.00 0.00 H new ATOM 0 HA VAL B 40 2.834 -3.096 -4.524 1.00 0.00 H new ATOM 0 HB VAL B 40 3.506 -2.646 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL B 40 4.455 -0.514 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL B 40 5.275 -1.916 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL B 40 4.093 -0.983 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL B 40 2.074 -0.648 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.607 -1.122 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL B 40 1.153 -2.147 -2.017 1.00 0.00 H new ATOM 617 N ASP B 41 4.996 -4.315 -4.673 1.00 0.00 N ATOM 618 CA ASP B 41 6.242 -5.061 -4.811 1.00 0.00 C ATOM 619 C ASP B 41 7.346 -4.177 -5.382 1.00 0.00 C ATOM 620 O ASP B 41 7.479 -4.039 -6.599 1.00 0.00 O ATOM 621 CB ASP B 41 6.034 -6.280 -5.714 1.00 0.00 C ATOM 622 CG ASP B 41 4.855 -7.127 -5.280 1.00 0.00 C ATOM 623 OD1 ASP B 41 4.676 -7.315 -4.058 1.00 0.00 O ATOM 624 OD2 ASP B 41 4.110 -7.605 -6.162 1.00 0.00 O ATOM 0 H ASP B 41 4.697 -3.833 -5.521 1.00 0.00 H new ATOM 0 HA ASP B 41 6.545 -5.397 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.880 -5.946 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.937 -6.890 -5.710 1.00 0.00 H new ATOM 629 N LEU B 42 8.134 -3.577 -4.496 1.00 0.00 N ATOM 630 CA LEU B 42 9.226 -2.705 -4.912 1.00 0.00 C ATOM 631 C LEU B 42 10.577 -3.384 -4.706 1.00 0.00 C ATOM 632 O LEU B 42 11.027 -3.559 -3.575 1.00 0.00 O ATOM 633 CB LEU B 42 9.177 -1.390 -4.131 1.00 0.00 C ATOM 634 CG LEU B 42 9.598 -0.149 -4.924 1.00 0.00 C ATOM 635 CD1 LEU B 42 8.609 0.986 -4.706 1.00 0.00 C ATOM 636 CD2 LEU B 42 11.004 0.284 -4.530 1.00 0.00 C ATOM 0 H LEU B 42 8.037 -3.679 -3.486 1.00 0.00 H new ATOM 0 HA LEU B 42 9.107 -2.495 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU B 42 8.162 -1.241 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU B 42 9.822 -1.480 -3.257 1.00 0.00 H new ATOM 0 HG LEU B 42 9.600 -0.403 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 42 8.925 1.859 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU B 42 7.619 0.674 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU B 42 8.574 1.239 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU B 42 11.287 1.167 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU B 42 11.028 0.519 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU B 42 11.705 -0.524 -4.739 1.00 0.00 H new ATOM 648 N LEU B 43 11.217 -3.767 -5.807 1.00 0.00 N ATOM 649 CA LEU B 43 12.516 -4.429 -5.742 1.00 0.00 C ATOM 650 C LEU B 43 13.612 -3.543 -6.327 1.00 0.00 C ATOM 651 O LEU B 43 14.553 -4.032 -6.950 1.00 0.00 O ATOM 652 CB LEU B 43 12.467 -5.764 -6.488 1.00 0.00 C ATOM 653 CG LEU B 43 12.044 -6.964 -5.639 1.00 0.00 C ATOM 654 CD1 LEU B 43 13.092 -7.264 -4.579 1.00 0.00 C ATOM 655 CD2 LEU B 43 10.689 -6.708 -4.995 1.00 0.00 C ATOM 0 H LEU B 43 10.859 -3.631 -6.752 1.00 0.00 H new ATOM 0 HA LEU B 43 12.749 -4.614 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.776 -5.670 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU B 43 13.453 -5.965 -6.908 1.00 0.00 H new ATOM 0 HG LEU B 43 11.957 -7.834 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU B 43 12.774 -8.121 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU B 43 14.043 -7.490 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU B 43 13.212 -6.397 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU B 43 10.403 -7.571 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU B 43 10.750 -5.826 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.942 -6.543 -5.772 1.00 0.00 H new ATOM 667 N LYS B 44 13.483 -2.236 -6.117 1.00 0.00 N ATOM 668 CA LYS B 44 14.463 -1.281 -6.621 1.00 0.00 C ATOM 669 C LYS B 44 14.145 0.130 -6.133 1.00 0.00 C ATOM 670 O LYS B 44 13.381 0.836 -6.824 1.00 0.00 O ATOM 671 CB LYS B 44 14.499 -1.311 -8.151 1.00 0.00 C ATOM 672 CG LYS B 44 15.696 -2.061 -8.716 1.00 0.00 C ATOM 673 CD LYS B 44 16.439 -1.237 -9.758 1.00 0.00 C ATOM 674 CE LYS B 44 17.839 -0.872 -9.288 1.00 0.00 C ATOM 675 NZ LYS B 44 18.511 0.073 -10.223 1.00 0.00 N ATOM 676 OXT LYS B 44 14.666 0.518 -5.066 1.00 0.00 O ATOM 0 H LYS B 44 12.710 -1.815 -5.602 1.00 0.00 H new ATOM 0 HA LYS B 44 15.443 -1.567 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.584 -1.774 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS B 44 14.511 -0.288 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS B 44 16.377 -2.322 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS B 44 15.360 -2.996 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS B 44 16.502 -1.799 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS B 44 15.878 -0.328 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS B 44 17.783 -0.423 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS B 44 18.438 -1.778 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 19.462 0.296 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 18.588 -0.365 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 17.953 0.948 -10.293 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 17.318 5.687 3.767 1.00 0.00 N ATOM 692 CA SER C 45 16.125 4.804 3.868 1.00 0.00 C ATOM 693 C SER C 45 14.928 5.559 4.437 1.00 0.00 C ATOM 694 O SER C 45 15.088 6.481 5.238 1.00 0.00 O ATOM 695 CB SER C 45 16.475 3.614 4.764 1.00 0.00 C ATOM 696 OG SER C 45 16.396 3.967 6.134 1.00 0.00 O ATOM 0 HA SER C 45 15.850 4.456 2.872 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.795 2.787 4.558 1.00 0.00 H new ATOM 0 HB3 SER C 45 17.481 3.264 4.533 1.00 0.00 H new ATOM 0 HG SER C 45 16.623 3.189 6.686 1.00 0.00 H new ATOM 704 N ASN C 46 13.729 5.165 4.018 1.00 0.00 N ATOM 705 CA ASN C 46 12.508 5.808 4.489 1.00 0.00 C ATOM 706 C ASN C 46 11.272 5.035 4.043 1.00 0.00 C ATOM 707 O ASN C 46 11.022 4.880 2.848 1.00 0.00 O ATOM 708 CB ASN C 46 12.435 7.246 3.973 1.00 0.00 C ATOM 709 CG ASN C 46 11.309 8.034 4.614 1.00 0.00 C ATOM 710 OD1 ASN C 46 10.934 7.782 5.760 1.00 0.00 O ATOM 711 ND2 ASN C 46 10.763 8.994 3.878 1.00 0.00 N ATOM 0 H ASN C 46 13.578 4.405 3.355 1.00 0.00 H new ATOM 0 HA ASN C 46 12.532 5.817 5.579 1.00 0.00 H new ATOM 0 HB2 ASN C 46 13.383 7.748 4.168 1.00 0.00 H new ATOM 0 HB3 ASN C 46 12.297 7.235 2.892 1.00 0.00 H new ATOM 0 HD21 ASN C 46 10.002 9.557 4.257 1.00 0.00 H new ATOM 0 HD22 ASN C 46 11.105 9.169 2.933 1.00 0.00 H new ATOM 718 N PHE C 47 10.499 4.556 5.014 1.00 0.00 N ATOM 719 CA PHE C 47 9.284 3.804 4.722 1.00 0.00 C ATOM 720 C PHE C 47 8.052 4.573 5.195 1.00 0.00 C ATOM 721 O PHE C 47 7.840 4.752 6.396 1.00 0.00 O ATOM 722 CB PHE C 47 9.336 2.427 5.389 1.00 0.00 C ATOM 723 CG PHE C 47 8.035 1.677 5.328 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.515 1.256 4.115 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.329 1.399 6.487 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.317 0.570 4.060 1.00 0.00 C ATOM 727 CE2 PHE C 47 6.132 0.714 6.439 1.00 0.00 C ATOM 728 CZ PHE C 47 5.624 0.299 5.224 1.00 0.00 C ATOM 0 H PHE C 47 10.693 4.675 6.008 1.00 0.00 H new ATOM 0 HA PHE C 47 9.215 3.667 3.643 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.112 1.830 4.910 1.00 0.00 H new ATOM 0 HB3 PHE C 47 9.626 2.549 6.433 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.052 1.466 3.202 1.00 0.00 H new ATOM 0 HD2 PHE C 47 7.720 1.722 7.440 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.923 0.246 3.108 1.00 0.00 H new ATOM 0 HE2 PHE C 47 5.593 0.503 7.351 1.00 0.00 H new ATOM 0 HZ PHE C 47 4.687 -0.236 5.184 1.00 0.00 H new ATOM 738 N LEU C 48 7.246 5.029 4.241 1.00 0.00 N ATOM 739 CA LEU C 48 6.039 5.782 4.556 1.00 0.00 C ATOM 740 C LEU C 48 4.794 5.083 4.013 1.00 0.00 C ATOM 741 O LEU C 48 4.419 5.275 2.858 1.00 0.00 O ATOM 742 CB LEU C 48 6.139 7.198 3.981 1.00 0.00 C ATOM 743 CG LEU C 48 5.866 8.324 4.981 1.00 0.00 C ATOM 744 CD1 LEU C 48 7.171 8.872 5.537 1.00 0.00 C ATOM 745 CD2 LEU C 48 5.058 9.434 4.326 1.00 0.00 C ATOM 0 H LEU C 48 7.408 4.890 3.244 1.00 0.00 H new ATOM 0 HA LEU C 48 5.949 5.839 5.641 1.00 0.00 H new ATOM 0 HB2 LEU C 48 7.137 7.335 3.566 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.435 7.288 3.154 1.00 0.00 H new ATOM 0 HG LEU C 48 5.284 7.916 5.808 1.00 0.00 H new ATOM 0 HD11 LEU C 48 6.957 9.672 6.246 1.00 0.00 H new ATOM 0 HD12 LEU C 48 7.714 8.074 6.043 1.00 0.00 H new ATOM 0 HD13 LEU C 48 7.778 9.264 4.721 1.00 0.00 H new ATOM 0 HD21 LEU C 48 4.873 10.226 5.052 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.614 9.839 3.481 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.107 9.033 3.976 1.00 0.00 H new ATOM 757 N ASN C 49 4.154 4.277 4.854 1.00 0.00 N ATOM 758 CA ASN C 49 2.947 3.558 4.455 1.00 0.00 C ATOM 759 C ASN C 49 1.722 4.122 5.171 1.00 0.00 C ATOM 760 O ASN C 49 1.261 3.570 6.171 1.00 0.00 O ATOM 761 CB ASN C 49 3.094 2.063 4.756 1.00 0.00 C ATOM 762 CG ASN C 49 1.831 1.280 4.448 1.00 0.00 C ATOM 763 OD1 ASN C 49 1.321 1.315 3.328 1.00 0.00 O ATOM 764 ND2 ASN C 49 1.319 0.568 5.445 1.00 0.00 N ATOM 0 H ASN C 49 4.450 4.105 5.815 1.00 0.00 H new ATOM 0 HA ASN C 49 2.810 3.689 3.382 1.00 0.00 H new ATOM 0 HB2 ASN C 49 3.920 1.658 4.172 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.352 1.931 5.807 1.00 0.00 H new ATOM 0 HD21 ASN C 49 0.470 0.022 5.298 1.00 0.00 H new ATOM 0 HD22 ASN C 49 1.774 0.567 6.358 1.00 0.00 H new ATOM 771 N CYS C 50 1.204 5.230 4.654 1.00 0.00 N ATOM 772 CA CYS C 50 0.041 5.876 5.247 1.00 0.00 C ATOM 773 C CYS C 50 -1.204 5.688 4.388 1.00 0.00 C ATOM 774 O CYS C 50 -1.117 5.512 3.172 1.00 0.00 O ATOM 775 CB CYS C 50 0.314 7.369 5.438 1.00 0.00 C ATOM 776 SG CYS C 50 0.550 8.279 3.893 1.00 0.00 S ATOM 0 H CYS C 50 1.571 5.699 3.826 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.142 5.408 6.214 1.00 0.00 H new ATOM 0 HB2 CYS C 50 -0.518 7.813 5.985 1.00 0.00 H new ATOM 0 HB3 CYS C 50 1.203 7.489 6.057 1.00 0.00 H new ATOM 0 HG CYS C 50 0.772 9.532 4.157 1.00 0.00 H new ATOM 782 N TYR C 51 -2.366 5.741 5.029 1.00 0.00 N ATOM 783 CA TYR C 51 -3.634 5.595 4.328 1.00 0.00 C ATOM 784 C TYR C 51 -4.719 6.417 5.013 1.00 0.00 C ATOM 785 O TYR C 51 -4.580 6.798 6.179 1.00 0.00 O ATOM 786 CB TYR C 51 -4.053 4.123 4.248 1.00 0.00 C ATOM 787 CG TYR C 51 -3.744 3.317 5.492 1.00 0.00 C ATOM 788 CD1 TYR C 51 -4.147 3.752 6.748 1.00 0.00 C ATOM 789 CD2 TYR C 51 -3.056 2.112 5.407 1.00 0.00 C ATOM 790 CE1 TYR C 51 -3.870 3.013 7.883 1.00 0.00 C ATOM 791 CE2 TYR C 51 -2.777 1.367 6.536 1.00 0.00 C ATOM 792 CZ TYR C 51 -3.186 1.821 7.770 1.00 0.00 C ATOM 793 OH TYR C 51 -2.910 1.081 8.897 1.00 0.00 O ATOM 0 H TYR C 51 -2.455 5.884 6.035 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.501 5.966 3.312 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -5.124 4.073 4.054 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -3.553 3.661 3.397 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -4.686 4.683 6.839 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -2.734 1.752 4.441 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -4.187 3.367 8.853 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -2.241 0.433 6.451 1.00 0.00 H new ATOM 0 HH TYR C 51 -3.698 0.552 9.142 1.00 0.00 H new ATOM 803 N VAL C 52 -5.793 6.697 4.279 1.00 0.00 N ATOM 804 CA VAL C 52 -6.900 7.484 4.811 1.00 0.00 C ATOM 805 C VAL C 52 -8.225 6.740 4.684 1.00 0.00 C ATOM 806 O VAL C 52 -8.613 6.321 3.592 1.00 0.00 O ATOM 807 CB VAL C 52 -7.020 8.844 4.096 1.00 0.00 C ATOM 808 CG1 VAL C 52 -8.032 9.732 4.802 1.00 0.00 C ATOM 809 CG2 VAL C 52 -5.663 9.528 4.017 1.00 0.00 C ATOM 0 H VAL C 52 -5.919 6.390 3.314 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.683 7.652 5.866 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.373 8.669 3.080 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -8.103 10.688 4.282 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -9.007 9.245 4.800 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -7.713 9.901 5.830 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -5.768 10.487 3.509 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -5.279 9.691 5.024 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -4.969 8.897 3.461 1.00 0.00 H new ATOM 819 N SER C 53 -8.914 6.583 5.810 1.00 0.00 N ATOM 820 CA SER C 53 -10.201 5.894 5.837 1.00 0.00 C ATOM 821 C SER C 53 -10.043 4.422 5.474 1.00 0.00 C ATOM 822 O SER C 53 -8.926 3.921 5.340 1.00 0.00 O ATOM 823 CB SER C 53 -11.186 6.566 4.877 1.00 0.00 C ATOM 824 OG SER C 53 -12.513 6.480 5.366 1.00 0.00 O ATOM 0 H SER C 53 -8.602 6.925 6.719 1.00 0.00 H new ATOM 0 HA SER C 53 -10.593 5.957 6.852 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.912 7.612 4.743 1.00 0.00 H new ATOM 0 HB3 SER C 53 -11.125 6.092 3.897 1.00 0.00 H new ATOM 0 HG SER C 53 -13.123 6.918 4.736 1.00 0.00 H new ATOM 830 N GLY C 54 -11.170 3.734 5.317 1.00 0.00 N ATOM 831 CA GLY C 54 -11.138 2.324 4.972 1.00 0.00 C ATOM 832 C GLY C 54 -11.893 2.019 3.694 1.00 0.00 C ATOM 833 O GLY C 54 -12.563 2.889 3.140 1.00 0.00 O ATOM 0 H GLY C 54 -12.105 4.128 5.423 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -10.102 2.004 4.863 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -11.566 1.744 5.790 1.00 0.00 H new ATOM 837 N PHE C 55 -11.780 0.780 3.225 1.00 0.00 N ATOM 838 CA PHE C 55 -12.454 0.362 2.000 1.00 0.00 C ATOM 839 C PHE C 55 -12.940 -1.081 2.099 1.00 0.00 C ATOM 840 O PHE C 55 -12.536 -1.937 1.313 1.00 0.00 O ATOM 841 CB PHE C 55 -11.512 0.511 0.800 1.00 0.00 C ATOM 842 CG PHE C 55 -10.082 0.136 1.092 1.00 0.00 C ATOM 843 CD1 PHE C 55 -9.780 -0.880 1.990 1.00 0.00 C ATOM 844 CD2 PHE C 55 -9.041 0.800 0.466 1.00 0.00 C ATOM 845 CE1 PHE C 55 -8.467 -1.221 2.255 1.00 0.00 C ATOM 846 CE2 PHE C 55 -7.726 0.464 0.728 1.00 0.00 C ATOM 847 CZ PHE C 55 -7.439 -0.549 1.623 1.00 0.00 C ATOM 0 H PHE C 55 -11.229 0.049 3.674 1.00 0.00 H new ATOM 0 HA PHE C 55 -13.322 1.006 1.861 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -11.880 -0.110 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -11.542 1.544 0.454 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -10.580 -1.409 2.486 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -9.259 1.591 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -8.245 -2.012 2.956 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -6.924 0.992 0.234 1.00 0.00 H new ATOM 0 HZ PHE C 55 -6.413 -0.815 1.828 1.00 0.00 H new ATOM 857 N HIS C 56 -13.810 -1.350 3.068 1.00 0.00 N ATOM 858 CA HIS C 56 -14.342 -2.695 3.253 1.00 0.00 C ATOM 859 C HIS C 56 -13.210 -3.684 3.531 1.00 0.00 C ATOM 860 O HIS C 56 -12.039 -3.369 3.315 1.00 0.00 O ATOM 861 CB HIS C 56 -15.131 -3.132 2.012 1.00 0.00 C ATOM 862 CG HIS C 56 -15.734 -1.996 1.243 1.00 0.00 C ATOM 863 ND1 HIS C 56 -15.252 -1.272 0.205 1.00 0.00 N flip ATOM 864 CD2 HIS C 56 -16.985 -1.482 1.517 1.00 0.00 C flip ATOM 865 CE1 HIS C 56 -16.209 -0.346 -0.126 1.00 0.00 C flip ATOM 866 NE2 HIS C 56 -17.246 -0.493 0.678 1.00 0.00 N flip ATOM 0 H HIS C 56 -14.159 -0.660 3.733 1.00 0.00 H new ATOM 0 HA HIS C 56 -15.014 -2.684 4.111 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -14.469 -3.693 1.352 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -15.926 -3.812 2.320 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -17.647 -1.832 2.295 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -16.127 0.385 -0.917 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -18.102 0.061 0.656 1.00 0.00 H new ATOM 875 N PRO C 57 -13.536 -4.896 4.016 1.00 0.00 N ATOM 876 CA PRO C 57 -12.529 -5.919 4.318 1.00 0.00 C ATOM 877 C PRO C 57 -11.795 -6.395 3.068 1.00 0.00 C ATOM 878 O PRO C 57 -12.104 -7.452 2.519 1.00 0.00 O ATOM 879 CB PRO C 57 -13.344 -7.063 4.931 1.00 0.00 C ATOM 880 CG PRO C 57 -14.733 -6.852 4.437 1.00 0.00 C ATOM 881 CD PRO C 57 -14.903 -5.365 4.307 1.00 0.00 C ATOM 0 HA PRO C 57 -11.750 -5.538 4.978 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -12.958 -8.034 4.621 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -13.304 -7.037 6.020 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -14.886 -7.348 3.478 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -15.462 -7.269 5.132 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -15.597 -5.107 3.507 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -15.295 -4.922 5.223 1.00 0.00 H new ATOM 889 N SER C 58 -10.823 -5.605 2.624 1.00 0.00 N ATOM 890 CA SER C 58 -10.044 -5.941 1.438 1.00 0.00 C ATOM 891 C SER C 58 -8.730 -6.617 1.819 1.00 0.00 C ATOM 892 O SER C 58 -8.540 -7.023 2.966 1.00 0.00 O ATOM 893 CB SER C 58 -9.765 -4.683 0.611 1.00 0.00 C ATOM 894 OG SER C 58 -9.598 -4.998 -0.760 1.00 0.00 O ATOM 0 H SER C 58 -10.556 -4.727 3.068 1.00 0.00 H new ATOM 0 HA SER C 58 -10.628 -6.639 0.838 1.00 0.00 H new ATOM 0 HB2 SER C 58 -10.588 -3.978 0.727 1.00 0.00 H new ATOM 0 HB3 SER C 58 -8.868 -4.190 0.985 1.00 0.00 H new ATOM 0 HG SER C 58 -9.430 -5.959 -0.857 1.00 0.00 H new ATOM 900 N ASP C 59 -7.828 -6.735 0.851 1.00 0.00 N ATOM 901 CA ASP C 59 -6.531 -7.363 1.085 1.00 0.00 C ATOM 902 C ASP C 59 -5.400 -6.467 0.590 1.00 0.00 C ATOM 903 O ASP C 59 -5.419 -6.000 -0.548 1.00 0.00 O ATOM 904 CB ASP C 59 -6.465 -8.720 0.382 1.00 0.00 C ATOM 905 CG ASP C 59 -7.406 -9.737 0.998 1.00 0.00 C ATOM 906 OD1 ASP C 59 -8.581 -9.390 1.235 1.00 0.00 O ATOM 907 OD2 ASP C 59 -6.967 -10.881 1.241 1.00 0.00 O ATOM 0 H ASP C 59 -7.970 -6.404 -0.103 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.413 -7.511 2.158 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -6.712 -8.592 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -5.444 -9.100 0.427 1.00 0.00 H new ATOM 912 N ILE C 60 -4.416 -6.230 1.452 1.00 0.00 N ATOM 913 CA ILE C 60 -3.280 -5.387 1.096 1.00 0.00 C ATOM 914 C ILE C 60 -1.958 -6.094 1.372 1.00 0.00 C ATOM 915 O ILE C 60 -1.663 -6.458 2.510 1.00 0.00 O ATOM 916 CB ILE C 60 -3.297 -4.052 1.868 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.724 -3.517 1.994 1.00 0.00 C ATOM 918 CG2 ILE C 60 -2.404 -3.032 1.178 1.00 0.00 C ATOM 919 CD1 ILE C 60 -4.841 -2.324 2.919 1.00 0.00 C ATOM 0 H ILE C 60 -4.382 -6.608 2.399 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.369 -5.184 0.029 1.00 0.00 H new ATOM 0 HB ILE C 60 -2.911 -4.230 2.872 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -5.088 -3.237 1.005 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -5.372 -4.314 2.358 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -2.426 -2.095 1.734 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -1.382 -3.409 1.142 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -2.764 -2.861 0.163 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -5.880 -1.997 2.961 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -4.508 -2.604 3.918 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -4.219 -1.511 2.544 1.00 0.00 H new ATOM 931 N GLU C 61 -1.160 -6.278 0.324 1.00 0.00 N ATOM 932 CA GLU C 61 0.135 -6.935 0.455 1.00 0.00 C ATOM 933 C GLU C 61 1.267 -5.937 0.231 1.00 0.00 C ATOM 934 O GLU C 61 1.878 -5.903 -0.837 1.00 0.00 O ATOM 935 CB GLU C 61 0.252 -8.090 -0.543 1.00 0.00 C ATOM 936 CG GLU C 61 1.258 -9.153 -0.128 1.00 0.00 C ATOM 937 CD GLU C 61 2.177 -9.562 -1.261 1.00 0.00 C ATOM 938 OE1 GLU C 61 2.653 -8.668 -1.992 1.00 0.00 O ATOM 939 OE2 GLU C 61 2.422 -10.776 -1.419 1.00 0.00 O ATOM 0 H GLU C 61 -1.388 -5.981 -0.625 1.00 0.00 H new ATOM 0 HA GLU C 61 0.214 -7.334 1.466 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -0.726 -8.555 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU C 61 0.538 -7.691 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU C 61 1.856 -8.777 0.702 1.00 0.00 H new ATOM 0 HG3 GLU C 61 0.724 -10.031 0.236 1.00 0.00 H new ATOM 946 N VAL C 62 1.537 -5.120 1.246 1.00 0.00 N ATOM 947 CA VAL C 62 2.591 -4.116 1.158 1.00 0.00 C ATOM 948 C VAL C 62 3.967 -4.737 1.376 1.00 0.00 C ATOM 949 O VAL C 62 4.213 -5.384 2.394 1.00 0.00 O ATOM 950 CB VAL C 62 2.385 -2.989 2.189 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.384 -1.865 1.961 1.00 0.00 C ATOM 952 CG2 VAL C 62 0.958 -2.466 2.131 1.00 0.00 C ATOM 0 H VAL C 62 1.041 -5.134 2.137 1.00 0.00 H new ATOM 0 HA VAL C 62 2.538 -3.696 0.153 1.00 0.00 H new ATOM 0 HB VAL C 62 2.557 -3.398 3.185 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.222 -1.079 2.699 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.398 -2.253 2.061 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.249 -1.456 0.960 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.832 -1.671 2.866 1.00 0.00 H new ATOM 0 HG22 VAL C 62 0.754 -2.075 1.134 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.264 -3.277 2.351 1.00 0.00 H new ATOM 962 N ASP C 63 4.860 -4.532 0.415 1.00 0.00 N ATOM 963 CA ASP C 63 6.212 -5.067 0.504 1.00 0.00 C ATOM 964 C ASP C 63 7.200 -4.165 -0.230 1.00 0.00 C ATOM 965 O ASP C 63 7.064 -3.927 -1.431 1.00 0.00 O ATOM 966 CB ASP C 63 6.265 -6.482 -0.076 1.00 0.00 C ATOM 967 CG ASP C 63 7.411 -7.297 0.489 1.00 0.00 C ATOM 968 OD1 ASP C 63 8.543 -6.771 0.546 1.00 0.00 O ATOM 969 OD2 ASP C 63 7.177 -8.462 0.873 1.00 0.00 O ATOM 0 H ASP C 63 4.672 -3.999 -0.434 1.00 0.00 H new ATOM 0 HA ASP C 63 6.493 -5.105 1.556 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.324 -6.992 0.131 1.00 0.00 H new ATOM 0 HB3 ASP C 63 6.364 -6.424 -1.160 1.00 0.00 H new ATOM 974 N LEU C 64 8.194 -3.670 0.498 1.00 0.00 N ATOM 975 CA LEU C 64 9.206 -2.796 -0.089 1.00 0.00 C ATOM 976 C LEU C 64 10.600 -3.169 0.406 1.00 0.00 C ATOM 977 O LEU C 64 10.787 -3.501 1.577 1.00 0.00 O ATOM 978 CB LEU C 64 8.914 -1.319 0.223 1.00 0.00 C ATOM 979 CG LEU C 64 7.877 -1.053 1.321 1.00 0.00 C ATOM 980 CD1 LEU C 64 6.487 -1.466 0.858 1.00 0.00 C ATOM 981 CD2 LEU C 64 8.255 -1.773 2.608 1.00 0.00 C ATOM 0 H LEU C 64 8.322 -3.857 1.492 1.00 0.00 H new ATOM 0 HA LEU C 64 9.170 -2.933 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU C 64 9.849 -0.838 0.510 1.00 0.00 H new ATOM 0 HB3 LEU C 64 8.575 -0.835 -0.693 1.00 0.00 H new ATOM 0 HG LEU C 64 7.864 0.018 1.525 1.00 0.00 H new ATOM 0 HD11 LEU C 64 5.766 -1.269 1.651 1.00 0.00 H new ATOM 0 HD12 LEU C 64 6.215 -0.895 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU C 64 6.484 -2.530 0.620 1.00 0.00 H new ATOM 0 HD21 LEU C 64 7.505 -1.570 3.372 1.00 0.00 H new ATOM 0 HD22 LEU C 64 8.304 -2.846 2.424 1.00 0.00 H new ATOM 0 HD23 LEU C 64 9.227 -1.419 2.951 1.00 0.00 H new ATOM 993 N LEU C 65 11.574 -3.111 -0.496 1.00 0.00 N ATOM 994 CA LEU C 65 12.954 -3.442 -0.158 1.00 0.00 C ATOM 995 C LEU C 65 13.704 -2.208 0.332 1.00 0.00 C ATOM 996 O LEU C 65 14.097 -2.130 1.496 1.00 0.00 O ATOM 997 CB LEU C 65 13.667 -4.038 -1.373 1.00 0.00 C ATOM 998 CG LEU C 65 14.725 -5.094 -1.049 1.00 0.00 C ATOM 999 CD1 LEU C 65 14.837 -6.102 -2.182 1.00 0.00 C ATOM 1000 CD2 LEU C 65 16.071 -4.435 -0.783 1.00 0.00 C ATOM 0 H LEU C 65 11.433 -2.837 -1.468 1.00 0.00 H new ATOM 0 HA LEU C 65 12.940 -4.179 0.645 1.00 0.00 H new ATOM 0 HB2 LEU C 65 12.921 -4.483 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU C 65 14.141 -3.230 -1.930 1.00 0.00 H new ATOM 0 HG LEU C 65 14.418 -5.625 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU C 65 15.594 -6.846 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU C 65 13.876 -6.597 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU C 65 15.121 -5.587 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU C 65 16.812 -5.201 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU C 65 16.385 -3.879 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU C 65 15.981 -3.753 0.062 1.00 0.00 H new ATOM 1012 N LYS C 66 13.897 -1.245 -0.563 1.00 0.00 N ATOM 1013 CA LYS C 66 14.598 -0.013 -0.222 1.00 0.00 C ATOM 1014 C LYS C 66 13.820 1.206 -0.708 1.00 0.00 C ATOM 1015 O LYS C 66 12.993 1.726 0.070 1.00 0.00 O ATOM 1016 CB LYS C 66 16.002 -0.013 -0.831 1.00 0.00 C ATOM 1017 CG LYS C 66 17.082 -0.477 0.132 1.00 0.00 C ATOM 1018 CD LYS C 66 17.708 0.693 0.872 1.00 0.00 C ATOM 1019 CE LYS C 66 18.730 0.223 1.895 1.00 0.00 C ATOM 1020 NZ LYS C 66 20.064 -0.017 1.279 1.00 0.00 N ATOM 1021 OXT LYS C 66 14.043 1.628 -1.862 1.00 0.00 O ATOM 0 H LYS C 66 13.578 -1.294 -1.530 1.00 0.00 H new ATOM 0 HA LYS C 66 14.682 0.040 0.864 1.00 0.00 H new ATOM 0 HB2 LYS C 66 16.008 -0.659 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS C 66 16.240 0.994 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS C 66 16.654 -1.176 0.850 1.00 0.00 H new ATOM 0 HG3 LYS C 66 17.854 -1.016 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS C 66 18.188 1.362 0.158 1.00 0.00 H new ATOM 0 HD3 LYS C 66 16.928 1.267 1.372 1.00 0.00 H new ATOM 0 HE2 LYS C 66 18.824 0.970 2.684 1.00 0.00 H new ATOM 0 HE3 LYS C 66 18.377 -0.695 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 20.732 -0.336 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 19.980 -0.748 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 20.413 0.865 0.852 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 16.341 3.531 9.517 1.00 0.00 N ATOM 1037 CA SER D 67 15.017 2.860 9.592 1.00 0.00 C ATOM 1038 C SER D 67 13.898 3.794 9.141 1.00 0.00 C ATOM 1039 O SER D 67 13.348 3.639 8.051 1.00 0.00 O ATOM 1040 CB SER D 67 14.779 2.408 11.036 1.00 0.00 C ATOM 1041 OG SER D 67 15.528 3.194 11.948 1.00 0.00 O ATOM 0 HA SER D 67 15.015 1.999 8.924 1.00 0.00 H new ATOM 0 HB2 SER D 67 13.718 2.483 11.273 1.00 0.00 H new ATOM 0 HB3 SER D 67 15.056 1.359 11.142 1.00 0.00 H new ATOM 0 HG SER D 67 16.163 3.753 11.453 1.00 0.00 H new ATOM 1049 N ASN D 68 13.566 4.763 9.989 1.00 0.00 N ATOM 1050 CA ASN D 68 12.511 5.724 9.681 1.00 0.00 C ATOM 1051 C ASN D 68 11.199 5.013 9.364 1.00 0.00 C ATOM 1052 O ASN D 68 10.975 4.574 8.236 1.00 0.00 O ATOM 1053 CB ASN D 68 12.924 6.606 8.500 1.00 0.00 C ATOM 1054 CG ASN D 68 12.145 7.906 8.452 1.00 0.00 C ATOM 1055 OD1 ASN D 68 10.986 7.964 8.860 1.00 0.00 O ATOM 1056 ND2 ASN D 68 12.781 8.958 7.949 1.00 0.00 N ATOM 0 H ASN D 68 14.012 4.904 10.895 1.00 0.00 H new ATOM 0 HA ASN D 68 12.360 6.351 10.560 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.989 6.826 8.569 1.00 0.00 H new ATOM 0 HB3 ASN D 68 12.771 6.059 7.570 1.00 0.00 H new ATOM 0 HD21 ASN D 68 12.308 9.860 7.890 1.00 0.00 H new ATOM 0 HD22 ASN D 68 13.743 8.864 7.622 1.00 0.00 H new ATOM 1063 N PHE D 69 10.335 4.905 10.368 1.00 0.00 N ATOM 1064 CA PHE D 69 9.045 4.247 10.198 1.00 0.00 C ATOM 1065 C PHE D 69 7.900 5.246 10.330 1.00 0.00 C ATOM 1066 O PHE D 69 7.829 5.999 11.301 1.00 0.00 O ATOM 1067 CB PHE D 69 8.880 3.125 11.227 1.00 0.00 C ATOM 1068 CG PHE D 69 7.530 2.463 11.189 1.00 0.00 C ATOM 1069 CD1 PHE D 69 6.887 2.243 9.981 1.00 0.00 C ATOM 1070 CD2 PHE D 69 6.905 2.062 12.357 1.00 0.00 C ATOM 1071 CE1 PHE D 69 5.647 1.637 9.941 1.00 0.00 C ATOM 1072 CE2 PHE D 69 5.664 1.456 12.324 1.00 0.00 C ATOM 1073 CZ PHE D 69 5.034 1.243 11.114 1.00 0.00 C ATOM 0 H PHE D 69 10.505 5.265 11.307 1.00 0.00 H new ATOM 0 HA PHE D 69 9.015 3.819 9.196 1.00 0.00 H new ATOM 0 HB2 PHE D 69 9.649 2.372 11.056 1.00 0.00 H new ATOM 0 HB3 PHE D 69 9.048 3.531 12.224 1.00 0.00 H new ATOM 0 HD1 PHE D 69 7.361 2.549 9.060 1.00 0.00 H new ATOM 0 HD2 PHE D 69 7.394 2.225 13.306 1.00 0.00 H new ATOM 0 HE1 PHE D 69 5.157 1.471 8.993 1.00 0.00 H new ATOM 0 HE2 PHE D 69 5.187 1.149 13.243 1.00 0.00 H new ATOM 0 HZ PHE D 69 4.064 0.769 11.085 1.00 0.00 H new ATOM 1083 N LEU D 70 7.006 5.247 9.347 1.00 0.00 N ATOM 1084 CA LEU D 70 5.861 6.152 9.355 1.00 0.00 C ATOM 1085 C LEU D 70 4.718 5.589 8.516 1.00 0.00 C ATOM 1086 O LEU D 70 4.610 5.876 7.324 1.00 0.00 O ATOM 1087 CB LEU D 70 6.274 7.529 8.826 1.00 0.00 C ATOM 1088 CG LEU D 70 5.838 8.713 9.690 1.00 0.00 C ATOM 1089 CD1 LEU D 70 6.366 8.564 11.107 1.00 0.00 C ATOM 1090 CD2 LEU D 70 6.316 10.022 9.077 1.00 0.00 C ATOM 0 H LEU D 70 7.052 4.632 8.535 1.00 0.00 H new ATOM 0 HA LEU D 70 5.513 6.255 10.383 1.00 0.00 H new ATOM 0 HB2 LEU D 70 7.359 7.552 8.726 1.00 0.00 H new ATOM 0 HB3 LEU D 70 5.859 7.656 7.826 1.00 0.00 H new ATOM 0 HG LEU D 70 4.749 8.727 9.730 1.00 0.00 H new ATOM 0 HD11 LEU D 70 6.045 9.416 11.706 1.00 0.00 H new ATOM 0 HD12 LEU D 70 5.977 7.645 11.545 1.00 0.00 H new ATOM 0 HD13 LEU D 70 7.455 8.524 11.087 1.00 0.00 H new ATOM 0 HD21 LEU D 70 5.998 10.855 9.704 1.00 0.00 H new ATOM 0 HD22 LEU D 70 7.404 10.015 9.007 1.00 0.00 H new ATOM 0 HD23 LEU D 70 5.889 10.134 8.080 1.00 0.00 H new ATOM 1102 N ASN D 71 3.865 4.782 9.141 1.00 0.00 N ATOM 1103 CA ASN D 71 2.736 4.183 8.441 1.00 0.00 C ATOM 1104 C ASN D 71 1.414 4.487 9.152 1.00 0.00 C ATOM 1105 O ASN D 71 1.315 5.453 9.907 1.00 0.00 O ATOM 1106 CB ASN D 71 2.940 2.668 8.303 1.00 0.00 C ATOM 1107 CG ASN D 71 2.593 1.909 9.569 1.00 0.00 C ATOM 1108 OD1 ASN D 71 2.601 2.470 10.665 1.00 0.00 O ATOM 1109 ND2 ASN D 71 2.284 0.626 9.423 1.00 0.00 N ATOM 0 H ASN D 71 3.935 4.529 10.127 1.00 0.00 H new ATOM 0 HA ASN D 71 2.684 4.623 7.445 1.00 0.00 H new ATOM 0 HB2 ASN D 71 2.326 2.297 7.483 1.00 0.00 H new ATOM 0 HB3 ASN D 71 3.979 2.469 8.039 1.00 0.00 H new ATOM 0 HD21 ASN D 71 2.040 0.064 10.239 1.00 0.00 H new ATOM 0 HD22 ASN D 71 2.290 0.202 8.495 1.00 0.00 H new ATOM 1116 N CYS D 72 0.405 3.645 8.901 1.00 0.00 N ATOM 1117 CA CYS D 72 -0.911 3.812 9.511 1.00 0.00 C ATOM 1118 C CYS D 72 -1.452 5.200 9.203 1.00 0.00 C ATOM 1119 O CYS D 72 -2.197 5.388 8.241 1.00 0.00 O ATOM 1120 CB CYS D 72 -0.831 3.580 11.025 1.00 0.00 C ATOM 1121 SG CYS D 72 -2.368 3.923 11.915 1.00 0.00 S ATOM 0 H CYS D 72 0.479 2.841 8.278 1.00 0.00 H new ATOM 0 HA CYS D 72 -1.594 3.073 9.092 1.00 0.00 H new ATOM 0 HB2 CYS D 72 -0.543 2.545 11.207 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -0.040 4.208 11.435 1.00 0.00 H new ATOM 0 HG CYS D 72 -3.125 4.695 11.193 1.00 0.00 H new ATOM 1127 N TYR D 73 -1.036 6.175 9.997 1.00 0.00 N ATOM 1128 CA TYR D 73 -1.437 7.553 9.785 1.00 0.00 C ATOM 1129 C TYR D 73 -2.929 7.772 10.021 1.00 0.00 C ATOM 1130 O TYR D 73 -3.351 8.022 11.151 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.040 7.977 8.374 1.00 0.00 C ATOM 1132 CG TYR D 73 0.130 8.912 8.357 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -0.078 10.281 8.429 1.00 0.00 C ATOM 1134 CD2 TYR D 73 1.434 8.444 8.272 1.00 0.00 C ATOM 1135 CE1 TYR D 73 0.985 11.163 8.417 1.00 0.00 C ATOM 1136 CE2 TYR D 73 2.503 9.319 8.260 1.00 0.00 C ATOM 1137 CZ TYR D 73 2.274 10.678 8.331 1.00 0.00 C ATOM 1138 OH TYR D 73 3.335 11.553 8.317 1.00 0.00 O ATOM 0 H TYR D 73 -0.418 6.034 10.796 1.00 0.00 H new ATOM 0 HA TYR D 73 -0.920 8.173 10.517 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -0.799 7.090 7.787 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.891 8.458 7.891 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -1.086 10.663 8.495 1.00 0.00 H new ATOM 0 HD2 TYR D 73 1.615 7.381 8.214 1.00 0.00 H new ATOM 0 HE1 TYR D 73 0.808 12.227 8.475 1.00 0.00 H new ATOM 0 HE2 TYR D 73 3.513 8.941 8.195 1.00 0.00 H new ATOM 0 HH TYR D 73 3.102 12.357 8.826 1.00 0.00 H new ATOM 1148 N VAL D 74 -3.731 7.695 8.960 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.160 7.906 9.086 1.00 0.00 C ATOM 1150 C VAL D 74 -5.922 6.596 8.894 1.00 0.00 C ATOM 1151 O VAL D 74 -6.694 6.444 7.945 1.00 0.00 O ATOM 1152 CB VAL D 74 -5.667 8.953 8.074 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -7.142 9.253 8.297 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -4.839 10.227 8.165 1.00 0.00 C ATOM 0 H VAL D 74 -3.412 7.489 8.013 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.343 8.281 10.093 1.00 0.00 H new ATOM 0 HB VAL D 74 -5.555 8.540 7.071 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -7.476 9.994 7.571 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -7.722 8.338 8.175 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -7.286 9.642 9.305 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.211 10.955 7.444 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.917 10.640 9.171 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -3.796 9.999 7.946 1.00 0.00 H new ATOM 1164 N SER D 75 -5.693 5.654 9.804 1.00 0.00 N ATOM 1165 CA SER D 75 -6.345 4.350 9.748 1.00 0.00 C ATOM 1166 C SER D 75 -7.863 4.487 9.840 1.00 0.00 C ATOM 1167 O SER D 75 -8.412 5.571 9.649 1.00 0.00 O ATOM 1168 CB SER D 75 -5.829 3.456 10.878 1.00 0.00 C ATOM 1169 OG SER D 75 -6.365 2.147 10.781 1.00 0.00 O ATOM 0 H SER D 75 -5.057 5.771 10.593 1.00 0.00 H new ATOM 0 HA SER D 75 -6.104 3.892 8.789 1.00 0.00 H new ATOM 0 HB2 SER D 75 -4.741 3.410 10.841 1.00 0.00 H new ATOM 0 HB3 SER D 75 -6.097 3.891 11.841 1.00 0.00 H new ATOM 0 HG SER D 75 -6.520 1.926 9.839 1.00 0.00 H new ATOM 1175 N GLY D 76 -8.534 3.374 10.127 1.00 0.00 N ATOM 1176 CA GLY D 76 -9.981 3.380 10.231 1.00 0.00 C ATOM 1177 C GLY D 76 -10.629 2.566 9.131 1.00 0.00 C ATOM 1178 O GLY D 76 -11.431 3.085 8.354 1.00 0.00 O ATOM 0 H GLY D 76 -8.098 2.466 10.290 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -10.277 2.980 11.201 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -10.344 4.407 10.185 1.00 0.00 H new ATOM 1182 N PHE D 77 -10.274 1.288 9.059 1.00 0.00 N ATOM 1183 CA PHE D 77 -10.816 0.398 8.039 1.00 0.00 C ATOM 1184 C PHE D 77 -11.330 -0.899 8.652 1.00 0.00 C ATOM 1185 O PHE D 77 -10.999 -1.235 9.789 1.00 0.00 O ATOM 1186 CB PHE D 77 -9.744 0.082 6.995 1.00 0.00 C ATOM 1187 CG PHE D 77 -8.409 -0.259 7.592 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -7.499 0.738 7.903 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -8.064 -1.578 7.846 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -6.271 0.429 8.453 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -6.837 -1.894 8.396 1.00 0.00 C ATOM 1192 CZ PHE D 77 -5.939 -0.889 8.701 1.00 0.00 C ATOM 0 H PHE D 77 -9.612 0.845 9.696 1.00 0.00 H new ATOM 0 HA PHE D 77 -11.653 0.907 7.562 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -10.082 -0.752 6.380 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -9.629 0.940 6.333 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -7.753 1.770 7.713 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -8.763 -2.367 7.611 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -5.571 1.217 8.689 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -6.580 -2.925 8.587 1.00 0.00 H new ATOM 0 HZ PHE D 77 -4.980 -1.133 9.132 1.00 0.00 H new ATOM 1202 N HIS D 78 -12.134 -1.626 7.884 1.00 0.00 N ATOM 1203 CA HIS D 78 -12.689 -2.894 8.338 1.00 0.00 C ATOM 1204 C HIS D 78 -11.629 -3.990 8.270 1.00 0.00 C ATOM 1205 O HIS D 78 -10.556 -3.785 7.702 1.00 0.00 O ATOM 1206 CB HIS D 78 -13.900 -3.275 7.482 1.00 0.00 C ATOM 1207 CG HIS D 78 -15.212 -3.062 8.171 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -15.388 -3.240 9.528 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -16.419 -2.686 7.683 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -16.645 -2.986 9.843 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -17.291 -2.647 8.743 1.00 0.00 N ATOM 0 H HIS D 78 -12.416 -1.357 6.941 1.00 0.00 H new ATOM 0 HA HIS D 78 -13.011 -2.785 9.374 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -13.883 -2.690 6.562 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -13.816 -4.323 7.195 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -16.652 -2.459 6.653 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -17.072 -3.046 10.833 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -18.278 -2.397 8.689 1.00 0.00 H new ATOM 1220 N PRO D 79 -11.909 -5.174 8.843 1.00 0.00 N ATOM 1221 CA PRO D 79 -10.964 -6.294 8.834 1.00 0.00 C ATOM 1222 C PRO D 79 -10.468 -6.616 7.428 1.00 0.00 C ATOM 1223 O PRO D 79 -11.056 -7.434 6.722 1.00 0.00 O ATOM 1224 CB PRO D 79 -11.776 -7.470 9.402 1.00 0.00 C ATOM 1225 CG PRO D 79 -13.198 -7.013 9.405 1.00 0.00 C ATOM 1226 CD PRO D 79 -13.155 -5.520 9.539 1.00 0.00 C ATOM 0 HA PRO D 79 -10.067 -6.070 9.412 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -11.653 -8.363 8.790 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -11.444 -7.725 10.408 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -13.704 -7.307 8.485 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -13.750 -7.463 10.230 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -14.022 -5.046 9.079 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -13.137 -5.207 10.583 1.00 0.00 H new ATOM 1234 N SER D 80 -9.379 -5.964 7.029 1.00 0.00 N ATOM 1235 CA SER D 80 -8.799 -6.177 5.708 1.00 0.00 C ATOM 1236 C SER D 80 -7.444 -6.867 5.819 1.00 0.00 C ATOM 1237 O SER D 80 -6.518 -6.341 6.436 1.00 0.00 O ATOM 1238 CB SER D 80 -8.648 -4.840 4.974 1.00 0.00 C ATOM 1239 OG SER D 80 -9.689 -3.945 5.324 1.00 0.00 O ATOM 0 H SER D 80 -8.881 -5.284 7.603 1.00 0.00 H new ATOM 0 HA SER D 80 -9.470 -6.821 5.139 1.00 0.00 H new ATOM 0 HB2 SER D 80 -7.684 -4.394 5.218 1.00 0.00 H new ATOM 0 HB3 SER D 80 -8.657 -5.010 3.897 1.00 0.00 H new ATOM 0 HG SER D 80 -9.625 -3.725 6.277 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.333 -8.049 5.218 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.088 -8.811 5.250 1.00 0.00 C ATOM 1247 C ASP D 81 -4.921 -7.965 4.750 1.00 0.00 C ATOM 1248 O ASP D 81 -4.694 -7.853 3.544 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.216 -10.076 4.399 1.00 0.00 C ATOM 1250 CG ASP D 81 -7.475 -10.860 4.717 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -7.602 -11.343 5.862 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -8.335 -10.990 3.820 1.00 0.00 O ATOM 0 H ASP D 81 -8.090 -8.499 4.703 1.00 0.00 H new ATOM 0 HA ASP D 81 -5.892 -9.096 6.284 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -6.218 -9.802 3.344 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -5.345 -10.710 4.562 1.00 0.00 H new ATOM 1257 N ILE D 82 -4.188 -7.366 5.683 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.050 -6.524 5.334 1.00 0.00 C ATOM 1259 C ILE D 82 -1.733 -7.167 5.756 1.00 0.00 C ATOM 1260 O ILE D 82 -1.543 -7.514 6.922 1.00 0.00 O ATOM 1261 CB ILE D 82 -3.162 -5.132 5.987 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -3.396 -5.265 7.492 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -4.285 -4.334 5.343 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -3.486 -3.935 8.207 1.00 0.00 C ATOM 0 H ILE D 82 -4.361 -7.448 6.685 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.062 -6.413 4.250 1.00 0.00 H new ATOM 0 HB ILE D 82 -2.224 -4.599 5.830 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -4.317 -5.823 7.661 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -2.585 -5.849 7.928 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -4.352 -3.354 5.815 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -4.081 -4.212 4.279 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -5.229 -4.864 5.473 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.653 -4.104 9.271 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -2.556 -3.384 8.069 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.315 -3.357 7.798 1.00 0.00 H new ATOM 1276 N GLU D 83 -0.824 -7.315 4.799 1.00 0.00 N ATOM 1277 CA GLU D 83 0.482 -7.907 5.064 1.00 0.00 C ATOM 1278 C GLU D 83 1.584 -6.867 4.898 1.00 0.00 C ATOM 1279 O GLU D 83 1.899 -6.457 3.780 1.00 0.00 O ATOM 1280 CB GLU D 83 0.731 -9.089 4.124 1.00 0.00 C ATOM 1281 CG GLU D 83 1.717 -10.107 4.674 1.00 0.00 C ATOM 1282 CD GLU D 83 1.728 -11.398 3.878 1.00 0.00 C ATOM 1283 OE1 GLU D 83 1.283 -11.379 2.710 1.00 0.00 O ATOM 1284 OE2 GLU D 83 2.180 -12.427 4.421 1.00 0.00 O ATOM 0 H GLU D 83 -0.968 -7.032 3.830 1.00 0.00 H new ATOM 0 HA GLU D 83 0.493 -8.266 6.093 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -0.217 -9.587 3.921 1.00 0.00 H new ATOM 0 HB3 GLU D 83 1.104 -8.713 3.171 1.00 0.00 H new ATOM 0 HG2 GLU D 83 2.718 -9.675 4.673 1.00 0.00 H new ATOM 0 HG3 GLU D 83 1.466 -10.327 5.712 1.00 0.00 H new ATOM 1291 N VAL D 84 2.160 -6.438 6.015 1.00 0.00 N ATOM 1292 CA VAL D 84 3.221 -5.439 5.988 1.00 0.00 C ATOM 1293 C VAL D 84 4.600 -6.089 5.977 1.00 0.00 C ATOM 1294 O VAL D 84 4.890 -6.969 6.787 1.00 0.00 O ATOM 1295 CB VAL D 84 3.126 -4.488 7.196 1.00 0.00 C ATOM 1296 CG1 VAL D 84 4.112 -3.337 7.050 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.704 -3.967 7.360 1.00 0.00 C ATOM 0 H VAL D 84 1.911 -6.765 6.948 1.00 0.00 H new ATOM 0 HA VAL D 84 3.088 -4.868 5.069 1.00 0.00 H new ATOM 0 HB VAL D 84 3.387 -5.047 8.095 1.00 0.00 H new ATOM 0 HG11 VAL D 84 4.030 -2.676 7.913 1.00 0.00 H new ATOM 0 HG12 VAL D 84 5.126 -3.732 6.991 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.887 -2.778 6.142 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.659 -3.297 8.219 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.409 -3.425 6.461 1.00 0.00 H new ATOM 0 HG23 VAL D 84 1.025 -4.805 7.518 1.00 0.00 H new ATOM 1307 N ASP D 85 5.446 -5.647 5.053 1.00 0.00 N ATOM 1308 CA ASP D 85 6.799 -6.179 4.934 1.00 0.00 C ATOM 1309 C ASP D 85 7.810 -5.048 4.774 1.00 0.00 C ATOM 1310 O ASP D 85 8.078 -4.593 3.660 1.00 0.00 O ATOM 1311 CB ASP D 85 6.893 -7.137 3.745 1.00 0.00 C ATOM 1312 CG ASP D 85 5.760 -8.142 3.724 1.00 0.00 C ATOM 1313 OD1 ASP D 85 4.606 -7.733 3.472 1.00 0.00 O ATOM 1314 OD2 ASP D 85 6.024 -9.340 3.960 1.00 0.00 O ATOM 0 H ASP D 85 5.218 -4.920 4.374 1.00 0.00 H new ATOM 0 HA ASP D 85 7.031 -6.727 5.847 1.00 0.00 H new ATOM 0 HB2 ASP D 85 6.884 -6.564 2.818 1.00 0.00 H new ATOM 0 HB3 ASP D 85 7.845 -7.667 3.783 1.00 0.00 H new ATOM 1319 N LEU D 86 8.363 -4.596 5.894 1.00 0.00 N ATOM 1320 CA LEU D 86 9.339 -3.515 5.882 1.00 0.00 C ATOM 1321 C LEU D 86 10.752 -4.059 5.704 1.00 0.00 C ATOM 1322 O LEU D 86 11.505 -4.192 6.670 1.00 0.00 O ATOM 1323 CB LEU D 86 9.252 -2.699 7.178 1.00 0.00 C ATOM 1324 CG LEU D 86 7.834 -2.381 7.671 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.891 -2.122 6.503 1.00 0.00 C ATOM 1326 CD2 LEU D 86 7.307 -3.513 8.541 1.00 0.00 C ATOM 0 H LEU D 86 8.151 -4.962 6.822 1.00 0.00 H new ATOM 0 HA LEU D 86 9.110 -2.865 5.038 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.776 -3.243 7.964 1.00 0.00 H new ATOM 0 HB3 LEU D 86 9.785 -1.760 7.030 1.00 0.00 H new ATOM 0 HG LEU D 86 7.882 -1.473 8.272 1.00 0.00 H new ATOM 0 HD11 LEU D 86 5.894 -1.899 6.883 1.00 0.00 H new ATOM 0 HD12 LEU D 86 7.255 -1.275 5.922 1.00 0.00 H new ATOM 0 HD13 LEU D 86 6.848 -3.006 5.867 1.00 0.00 H new ATOM 0 HD21 LEU D 86 6.300 -3.271 8.882 1.00 0.00 H new ATOM 0 HD22 LEU D 86 7.282 -4.436 7.961 1.00 0.00 H new ATOM 0 HD23 LEU D 86 7.961 -3.644 9.403 1.00 0.00 H new ATOM 1338 N LEU D 87 11.107 -4.371 4.462 1.00 0.00 N ATOM 1339 CA LEU D 87 12.432 -4.899 4.154 1.00 0.00 C ATOM 1340 C LEU D 87 12.679 -6.213 4.890 1.00 0.00 C ATOM 1341 O LEU D 87 12.803 -6.239 6.113 1.00 0.00 O ATOM 1342 CB LEU D 87 13.508 -3.879 4.528 1.00 0.00 C ATOM 1343 CG LEU D 87 14.949 -4.360 4.350 1.00 0.00 C ATOM 1344 CD1 LEU D 87 15.161 -4.904 2.945 1.00 0.00 C ATOM 1345 CD2 LEU D 87 15.926 -3.232 4.640 1.00 0.00 C ATOM 0 H LEU D 87 10.496 -4.267 3.652 1.00 0.00 H new ATOM 0 HA LEU D 87 12.481 -5.091 3.082 1.00 0.00 H new ATOM 0 HB2 LEU D 87 13.363 -2.983 3.924 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.365 -3.588 5.569 1.00 0.00 H new ATOM 0 HG LEU D 87 15.134 -5.166 5.060 1.00 0.00 H new ATOM 0 HD11 LEU D 87 16.192 -5.241 2.837 1.00 0.00 H new ATOM 0 HD12 LEU D 87 14.485 -5.742 2.773 1.00 0.00 H new ATOM 0 HD13 LEU D 87 14.958 -4.119 2.216 1.00 0.00 H new ATOM 0 HD21 LEU D 87 16.946 -3.592 4.509 1.00 0.00 H new ATOM 0 HD22 LEU D 87 15.741 -2.405 3.954 1.00 0.00 H new ATOM 0 HD23 LEU D 87 15.792 -2.889 5.666 1.00 0.00 H new ATOM 1357 N LYS D 88 12.751 -7.303 4.132 1.00 0.00 N ATOM 1358 CA LYS D 88 12.985 -8.624 4.707 1.00 0.00 C ATOM 1359 C LYS D 88 13.906 -9.450 3.815 1.00 0.00 C ATOM 1360 O LYS D 88 13.742 -9.386 2.578 1.00 0.00 O ATOM 1361 CB LYS D 88 11.658 -9.358 4.909 1.00 0.00 C ATOM 1362 CG LYS D 88 10.828 -8.812 6.062 1.00 0.00 C ATOM 1363 CD LYS D 88 10.687 -9.829 7.184 1.00 0.00 C ATOM 1364 CE LYS D 88 10.388 -9.154 8.513 1.00 0.00 C ATOM 1365 NZ LYS D 88 11.633 -8.806 9.252 1.00 0.00 N ATOM 1366 OXT LYS D 88 14.781 -10.153 4.360 1.00 0.00 O ATOM 0 H LYS D 88 12.651 -7.298 3.117 1.00 0.00 H new ATOM 0 HA LYS D 88 13.469 -8.491 5.674 1.00 0.00 H new ATOM 0 HB2 LYS D 88 11.074 -9.295 3.991 1.00 0.00 H new ATOM 0 HB3 LYS D 88 11.860 -10.414 5.086 1.00 0.00 H new ATOM 0 HG2 LYS D 88 11.294 -7.906 6.449 1.00 0.00 H new ATOM 0 HG3 LYS D 88 9.839 -8.532 5.698 1.00 0.00 H new ATOM 0 HD2 LYS D 88 9.888 -10.530 6.943 1.00 0.00 H new ATOM 0 HD3 LYS D 88 11.606 -10.409 7.268 1.00 0.00 H new ATOM 0 HE2 LYS D 88 9.805 -8.250 8.338 1.00 0.00 H new ATOM 0 HE3 LYS D 88 9.775 -9.815 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 11.386 -8.348 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 12.177 -9.672 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 12.207 -8.155 8.679 1.00 0.00 H new TER 1380 LYS D 88