USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=29 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: B 29 TYR OH : rot 171:sc= -0.653! USER MOD Set 1.2: B 31 SER OG : rot 102:sc= 0.777 USER MOD Set 2.1: B 27 ASN : amide:sc= -1.32 X(o=-1,f=-1.5!) USER MOD Set 2.2: C 49 ASN : amide:sc= 0.273 X(o=-1,f=-1) USER MOD Set 3.1: B 23 SER OG : rot -58:sc= 0.0355 USER MOD Set 3.2: B 24 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3!) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.0527 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.1) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -152:sc= -3.92! USER MOD Single : A 9 SER OG : rot 146:sc= 0.793 USER MOD Single : A 12 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 14 SER OG : rot 180:sc= -0.003 USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.453) USER MOD Single : B 28 CYS SG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HE2:sc= 0.249 K(o=0.25,f=-3.8!) USER MOD Single : B 36 SER OG : rot 140:sc= -0.196 USER MOD Single : B 44 LYS NZ :NH3+ -158:sc= -0.0402 (180deg=-0.248) USER MOD Single : C 45 SER OG : rot 41:sc= 0.507 USER MOD Single : C 46 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : C 50 CYS SG : rot 180:sc= 0 USER MOD Single : C 51 TYR OH : rot 82:sc= 0.306 USER MOD Single : C 53 SER OG : rot 180:sc= 0 USER MOD Single : C 56 HIS : no HE2:sc= -3.95 K(o=-3.9,f=-6!) USER MOD Single : C 58 SER OG : rot -160:sc= 1.31 USER MOD Single : C 66 LYS NZ :NH3+ -165:sc=-0.00395 (180deg=-0.0697) USER MOD Single : D 67 SER OG : rot 180:sc= 0 USER MOD Single : D 68 ASN :FLIP amide:sc= 0.61 F(o=-0.31,f=0.61) USER MOD Single : D 71 ASN : amide:sc= -2.85! C(o=-2.8!,f=-7.6!) USER MOD Single : D 72 CYS SG : rot 180:sc= 0 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot -146:sc= 1.29 USER MOD Single : D 78 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.9) USER MOD Single : D 80 SER OG : rot 166:sc= 0.962 USER MOD Single : D 88 LYS NZ :NH3+ -128:sc= -0.453 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.448 4.211 -7.670 1.00 0.00 N ATOM 2 CA SER A 1 15.349 5.694 -7.738 1.00 0.00 C ATOM 3 C SER A 1 14.134 6.199 -6.964 1.00 0.00 C ATOM 4 O SER A 1 13.565 5.477 -6.145 1.00 0.00 O ATOM 5 CB SER A 1 15.252 6.108 -9.209 1.00 0.00 C ATOM 6 OG SER A 1 16.097 7.211 -9.485 1.00 0.00 O ATOM 0 H1 SER A 1 16.449 3.932 -7.623 1.00 0.00 H new ATOM 0 H2 SER A 1 14.952 3.869 -6.822 1.00 0.00 H new ATOM 0 H3 SER A 1 15.012 3.795 -8.518 1.00 0.00 H new ATOM 0 HA SER A 1 16.235 6.136 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.527 5.267 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.221 6.367 -9.450 1.00 0.00 H new ATOM 0 HG SER A 1 16.018 7.455 -10.431 1.00 0.00 H new ATOM 14 N ASN A 2 13.743 7.442 -7.228 1.00 0.00 N ATOM 15 CA ASN A 2 12.596 8.041 -6.555 1.00 0.00 C ATOM 16 C ASN A 2 11.323 7.257 -6.854 1.00 0.00 C ATOM 17 O ASN A 2 11.081 6.857 -7.993 1.00 0.00 O ATOM 18 CB ASN A 2 12.423 9.497 -6.990 1.00 0.00 C ATOM 19 CG ASN A 2 11.816 10.358 -5.899 1.00 0.00 C ATOM 20 OD1 ASN A 2 10.733 10.918 -6.065 1.00 0.00 O ATOM 21 ND2 ASN A 2 12.513 10.466 -4.774 1.00 0.00 N ATOM 0 H ASN A 2 14.203 8.053 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 2 12.780 8.010 -5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.392 9.906 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.788 9.536 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.154 11.031 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.407 9.984 -4.680 1.00 0.00 H new ATOM 28 N PHE A 3 10.511 7.038 -5.824 1.00 0.00 N ATOM 29 CA PHE A 3 9.264 6.300 -5.981 1.00 0.00 C ATOM 30 C PHE A 3 8.189 6.852 -5.050 1.00 0.00 C ATOM 31 O PHE A 3 8.414 7.007 -3.850 1.00 0.00 O ATOM 32 CB PHE A 3 9.492 4.815 -5.698 1.00 0.00 C ATOM 33 CG PHE A 3 8.276 3.963 -5.922 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.319 3.826 -4.930 1.00 0.00 C ATOM 35 CD2 PHE A 3 8.092 3.295 -7.122 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.200 3.041 -5.131 1.00 0.00 C ATOM 37 CE2 PHE A 3 6.975 2.508 -7.329 1.00 0.00 C ATOM 38 CZ PHE A 3 6.028 2.381 -6.332 1.00 0.00 C ATOM 0 H PHE A 3 10.694 7.361 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 3 8.922 6.417 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.300 4.453 -6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.822 4.698 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.449 4.339 -3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.830 3.390 -7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.461 2.944 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.843 1.993 -8.269 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.154 1.767 -6.491 1.00 0.00 H new ATOM 48 N LEU A 4 7.020 7.147 -5.610 1.00 0.00 N ATOM 49 CA LEU A 4 5.914 7.683 -4.824 1.00 0.00 C ATOM 50 C LEU A 4 4.568 7.219 -5.373 1.00 0.00 C ATOM 51 O LEU A 4 3.918 7.932 -6.137 1.00 0.00 O ATOM 52 CB LEU A 4 5.961 9.217 -4.783 1.00 0.00 C ATOM 53 CG LEU A 4 6.571 9.903 -6.012 1.00 0.00 C ATOM 54 CD1 LEU A 4 8.073 9.673 -6.068 1.00 0.00 C ATOM 55 CD2 LEU A 4 5.903 9.415 -7.290 1.00 0.00 C ATOM 0 H LEU A 4 6.814 7.025 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 4 6.023 7.301 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.945 9.589 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.528 9.520 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 4 6.394 10.975 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.484 10.168 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.537 10.082 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.275 8.604 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.351 9.915 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.041 8.338 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.838 9.642 -7.253 1.00 0.00 H new ATOM 67 N ASN A 5 4.150 6.023 -4.970 1.00 0.00 N ATOM 68 CA ASN A 5 2.876 5.469 -5.415 1.00 0.00 C ATOM 69 C ASN A 5 1.716 6.206 -4.755 1.00 0.00 C ATOM 70 O ASN A 5 1.561 6.170 -3.535 1.00 0.00 O ATOM 71 CB ASN A 5 2.803 3.976 -5.089 1.00 0.00 C ATOM 72 CG ASN A 5 1.742 3.257 -5.900 1.00 0.00 C ATOM 73 OD1 ASN A 5 0.637 3.008 -5.417 1.00 0.00 O ATOM 74 ND2 ASN A 5 2.072 2.921 -7.142 1.00 0.00 N ATOM 0 H ASN A 5 4.674 5.419 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 5 2.802 5.597 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.774 3.518 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.593 3.849 -4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.398 2.437 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.999 3.147 -7.502 1.00 0.00 H new ATOM 81 N CYS A 6 0.908 6.884 -5.563 1.00 0.00 N ATOM 82 CA CYS A 6 -0.229 7.638 -5.044 1.00 0.00 C ATOM 83 C CYS A 6 -1.557 7.044 -5.503 1.00 0.00 C ATOM 84 O CYS A 6 -1.903 7.103 -6.683 1.00 0.00 O ATOM 85 CB CYS A 6 -0.135 9.100 -5.482 1.00 0.00 C ATOM 86 SG CYS A 6 -0.681 10.284 -4.229 1.00 0.00 S ATOM 0 H CYS A 6 1.018 6.927 -6.576 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.194 7.580 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.898 9.322 -5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.734 9.238 -6.382 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.561 11.493 -4.693 1.00 0.00 H new ATOM 92 N TYR A 7 -2.306 6.489 -4.554 1.00 0.00 N ATOM 93 CA TYR A 7 -3.608 5.901 -4.847 1.00 0.00 C ATOM 94 C TYR A 7 -4.701 6.646 -4.083 1.00 0.00 C ATOM 95 O TYR A 7 -4.604 6.837 -2.871 1.00 0.00 O ATOM 96 CB TYR A 7 -3.620 4.405 -4.484 1.00 0.00 C ATOM 97 CG TYR A 7 -4.971 3.887 -4.025 1.00 0.00 C ATOM 98 CD1 TYR A 7 -5.443 4.170 -2.752 1.00 0.00 C ATOM 99 CD2 TYR A 7 -5.775 3.124 -4.866 1.00 0.00 C ATOM 100 CE1 TYR A 7 -6.674 3.713 -2.327 1.00 0.00 C ATOM 101 CE2 TYR A 7 -7.012 2.664 -4.447 1.00 0.00 C ATOM 102 CZ TYR A 7 -7.454 2.963 -3.177 1.00 0.00 C ATOM 103 OH TYR A 7 -8.680 2.513 -2.759 1.00 0.00 O ATOM 0 H TYR A 7 -2.032 6.435 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.801 5.993 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.299 3.829 -5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.889 4.228 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.836 4.759 -2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.429 2.887 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.024 3.943 -1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.626 2.075 -5.112 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.903 1.684 -3.232 1.00 0.00 H new ATOM 113 N VAL A 8 -5.739 7.064 -4.798 1.00 0.00 N ATOM 114 CA VAL A 8 -6.845 7.784 -4.181 1.00 0.00 C ATOM 115 C VAL A 8 -8.182 7.135 -4.524 1.00 0.00 C ATOM 116 O VAL A 8 -8.896 7.601 -5.412 1.00 0.00 O ATOM 117 CB VAL A 8 -6.872 9.259 -4.623 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.911 10.036 -3.831 1.00 0.00 C ATOM 119 CG2 VAL A 8 -5.496 9.887 -4.473 1.00 0.00 C ATOM 0 H VAL A 8 -5.837 6.917 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.690 7.740 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.150 9.298 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.915 11.076 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.896 9.600 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.668 9.990 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.535 10.929 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.185 9.837 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.780 9.346 -5.092 1.00 0.00 H new ATOM 129 N SER A 9 -8.515 6.061 -3.809 1.00 0.00 N ATOM 130 CA SER A 9 -9.770 5.341 -4.028 1.00 0.00 C ATOM 131 C SER A 9 -10.057 5.150 -5.519 1.00 0.00 C ATOM 132 O SER A 9 -10.617 6.033 -6.169 1.00 0.00 O ATOM 133 CB SER A 9 -10.926 6.090 -3.358 1.00 0.00 C ATOM 134 OG SER A 9 -12.083 6.105 -4.178 1.00 0.00 O ATOM 0 H SER A 9 -7.931 5.669 -3.070 1.00 0.00 H new ATOM 0 HA SER A 9 -9.672 4.352 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.162 5.618 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.620 7.113 -3.141 1.00 0.00 H new ATOM 0 HG SER A 9 -12.884 6.061 -3.615 1.00 0.00 H new ATOM 140 N GLY A 10 -9.683 3.991 -6.053 1.00 0.00 N ATOM 141 CA GLY A 10 -9.925 3.717 -7.458 1.00 0.00 C ATOM 142 C GLY A 10 -8.768 3.006 -8.135 1.00 0.00 C ATOM 143 O GLY A 10 -7.607 3.354 -7.928 1.00 0.00 O ATOM 0 H GLY A 10 -9.219 3.240 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.824 3.108 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.120 4.656 -7.977 1.00 0.00 H new ATOM 147 N PHE A 11 -9.095 2.011 -8.957 1.00 0.00 N ATOM 148 CA PHE A 11 -8.086 1.248 -9.683 1.00 0.00 C ATOM 149 C PHE A 11 -8.744 0.213 -10.598 1.00 0.00 C ATOM 150 O PHE A 11 -9.949 -0.025 -10.513 1.00 0.00 O ATOM 151 CB PHE A 11 -7.110 0.575 -8.707 1.00 0.00 C ATOM 152 CG PHE A 11 -7.562 -0.768 -8.197 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.478 -0.860 -7.163 1.00 0.00 C ATOM 154 CD2 PHE A 11 -7.066 -1.936 -8.752 1.00 0.00 C ATOM 155 CE1 PHE A 11 -8.893 -2.092 -6.692 1.00 0.00 C ATOM 156 CE2 PHE A 11 -7.477 -3.171 -8.285 1.00 0.00 C ATOM 157 CZ PHE A 11 -8.391 -3.248 -7.254 1.00 0.00 C ATOM 0 H PHE A 11 -10.054 1.715 -9.136 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.519 1.938 -10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.146 0.456 -9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.952 1.238 -7.856 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.873 0.042 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.350 -1.882 -9.559 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.609 -2.149 -5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.083 -4.074 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.713 -4.212 -6.888 1.00 0.00 H new ATOM 167 N HIS A 12 -7.947 -0.393 -11.473 1.00 0.00 N ATOM 168 CA HIS A 12 -8.457 -1.398 -12.408 1.00 0.00 C ATOM 169 C HIS A 12 -9.093 -2.566 -11.653 1.00 0.00 C ATOM 170 O HIS A 12 -9.062 -2.606 -10.424 1.00 0.00 O ATOM 171 CB HIS A 12 -7.335 -1.915 -13.320 1.00 0.00 C ATOM 172 CG HIS A 12 -6.248 -0.919 -13.589 1.00 0.00 C ATOM 173 ND1 HIS A 12 -5.115 -0.815 -12.810 1.00 0.00 N ATOM 174 CD2 HIS A 12 -6.123 0.016 -14.558 1.00 0.00 C ATOM 175 CE1 HIS A 12 -4.340 0.143 -13.290 1.00 0.00 C ATOM 176 NE2 HIS A 12 -4.929 0.662 -14.351 1.00 0.00 N ATOM 0 H HIS A 12 -6.947 -0.208 -11.556 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.218 -0.922 -13.026 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.894 -2.802 -12.866 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.770 -2.226 -14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.831 0.217 -15.348 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.387 0.449 -12.883 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.558 1.420 -14.924 1.00 0.00 H new ATOM 185 N PRO A 13 -9.683 -3.537 -12.374 1.00 0.00 N ATOM 186 CA PRO A 13 -10.318 -4.695 -11.753 1.00 0.00 C ATOM 187 C PRO A 13 -9.308 -5.773 -11.380 1.00 0.00 C ATOM 188 O PRO A 13 -8.119 -5.653 -11.680 1.00 0.00 O ATOM 189 CB PRO A 13 -11.263 -5.193 -12.844 1.00 0.00 C ATOM 190 CG PRO A 13 -10.597 -4.820 -14.124 1.00 0.00 C ATOM 191 CD PRO A 13 -9.777 -3.583 -13.847 1.00 0.00 C ATOM 0 HA PRO A 13 -10.818 -4.444 -10.818 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.413 -6.270 -12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.245 -4.728 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.963 -5.632 -14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.336 -4.627 -14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.791 -3.647 -14.308 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.257 -2.689 -14.244 1.00 0.00 H new ATOM 199 N SER A 14 -9.783 -6.827 -10.723 1.00 0.00 N ATOM 200 CA SER A 14 -8.913 -7.922 -10.309 1.00 0.00 C ATOM 201 C SER A 14 -7.903 -7.446 -9.266 1.00 0.00 C ATOM 202 O SER A 14 -8.094 -6.404 -8.638 1.00 0.00 O ATOM 203 CB SER A 14 -8.185 -8.508 -11.523 1.00 0.00 C ATOM 204 OG SER A 14 -9.037 -8.556 -12.655 1.00 0.00 O ATOM 0 H SER A 14 -10.763 -6.946 -10.467 1.00 0.00 H new ATOM 0 HA SER A 14 -9.530 -8.699 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.307 -7.904 -11.751 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.830 -9.511 -11.288 1.00 0.00 H new ATOM 0 HG SER A 14 -8.548 -8.932 -13.417 1.00 0.00 H new ATOM 210 N ASP A 15 -6.831 -8.213 -9.085 1.00 0.00 N ATOM 211 CA ASP A 15 -5.797 -7.862 -8.116 1.00 0.00 C ATOM 212 C ASP A 15 -4.539 -7.358 -8.818 1.00 0.00 C ATOM 213 O ASP A 15 -3.912 -8.087 -9.587 1.00 0.00 O ATOM 214 CB ASP A 15 -5.457 -9.071 -7.242 1.00 0.00 C ATOM 215 CG ASP A 15 -4.991 -10.261 -8.057 1.00 0.00 C ATOM 216 OD1 ASP A 15 -3.800 -10.294 -8.433 1.00 0.00 O ATOM 217 OD2 ASP A 15 -5.815 -11.161 -8.320 1.00 0.00 O ATOM 0 H ASP A 15 -6.656 -9.079 -9.595 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.183 -7.062 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.679 -8.794 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.335 -9.354 -6.660 1.00 0.00 H new ATOM 222 N ILE A 16 -4.173 -6.109 -8.546 1.00 0.00 N ATOM 223 CA ILE A 16 -2.988 -5.510 -9.149 1.00 0.00 C ATOM 224 C ILE A 16 -1.721 -5.972 -8.438 1.00 0.00 C ATOM 225 O ILE A 16 -1.770 -6.418 -7.292 1.00 0.00 O ATOM 226 CB ILE A 16 -3.049 -3.971 -9.112 1.00 0.00 C ATOM 227 CG1 ILE A 16 -4.419 -3.480 -9.583 1.00 0.00 C ATOM 228 CG2 ILE A 16 -1.944 -3.373 -9.969 1.00 0.00 C ATOM 229 CD1 ILE A 16 -4.772 -3.927 -10.985 1.00 0.00 C ATOM 0 H ILE A 16 -4.681 -5.492 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.964 -5.838 -10.188 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.900 -3.644 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.182 -3.840 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.440 -2.391 -9.542 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.002 -2.285 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.974 -3.698 -9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.062 -3.707 -11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.756 -3.543 -11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.030 -3.545 -11.686 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.784 -5.016 -11.027 1.00 0.00 H new ATOM 241 N GLU A 17 -0.587 -5.861 -9.121 1.00 0.00 N ATOM 242 CA GLU A 17 0.689 -6.270 -8.545 1.00 0.00 C ATOM 243 C GLU A 17 1.826 -5.377 -9.033 1.00 0.00 C ATOM 244 O GLU A 17 2.788 -5.853 -9.638 1.00 0.00 O ATOM 245 CB GLU A 17 0.983 -7.731 -8.894 1.00 0.00 C ATOM 246 CG GLU A 17 0.989 -8.011 -10.388 1.00 0.00 C ATOM 247 CD GLU A 17 -0.405 -8.012 -10.986 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.114 -9.029 -10.835 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.785 -6.997 -11.605 1.00 0.00 O ATOM 0 H GLU A 17 -0.525 -5.493 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 17 0.617 -6.168 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.951 -8.007 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.237 -8.367 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.596 -7.260 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.460 -8.977 -10.571 1.00 0.00 H new ATOM 256 N VAL A 18 1.720 -4.080 -8.759 1.00 0.00 N ATOM 257 CA VAL A 18 2.749 -3.131 -9.165 1.00 0.00 C ATOM 258 C VAL A 18 4.045 -3.393 -8.408 1.00 0.00 C ATOM 259 O VAL A 18 4.085 -3.306 -7.181 1.00 0.00 O ATOM 260 CB VAL A 18 2.307 -1.673 -8.921 1.00 0.00 C ATOM 261 CG1 VAL A 18 3.410 -0.701 -9.318 1.00 0.00 C ATOM 262 CG2 VAL A 18 1.026 -1.370 -9.681 1.00 0.00 C ATOM 0 H VAL A 18 0.934 -3.664 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 18 2.911 -3.271 -10.234 1.00 0.00 H new ATOM 0 HB VAL A 18 2.112 -1.549 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.077 0.321 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.302 -0.902 -8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.641 -0.826 -10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.729 -0.337 -9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.193 -1.515 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.235 -2.040 -9.343 1.00 0.00 H new ATOM 272 N ASP A 19 5.101 -3.720 -9.142 1.00 0.00 N ATOM 273 CA ASP A 19 6.390 -3.998 -8.525 1.00 0.00 C ATOM 274 C ASP A 19 7.524 -3.303 -9.269 1.00 0.00 C ATOM 275 O ASP A 19 7.369 -2.893 -10.420 1.00 0.00 O ATOM 276 CB ASP A 19 6.643 -5.506 -8.481 1.00 0.00 C ATOM 277 CG ASP A 19 6.368 -6.178 -9.812 1.00 0.00 C ATOM 278 OD1 ASP A 19 6.868 -5.679 -10.844 1.00 0.00 O ATOM 279 OD2 ASP A 19 5.653 -7.202 -9.825 1.00 0.00 O ATOM 0 H ASP A 19 5.090 -3.799 -10.159 1.00 0.00 H new ATOM 0 HA ASP A 19 6.362 -3.608 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.678 -5.690 -8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.013 -5.955 -7.713 1.00 0.00 H new ATOM 284 N LEU A 20 8.666 -3.177 -8.602 1.00 0.00 N ATOM 285 CA LEU A 20 9.833 -2.536 -9.194 1.00 0.00 C ATOM 286 C LEU A 20 11.120 -3.073 -8.577 1.00 0.00 C ATOM 287 O LEU A 20 11.310 -3.017 -7.361 1.00 0.00 O ATOM 288 CB LEU A 20 9.756 -1.018 -9.010 1.00 0.00 C ATOM 289 CG LEU A 20 8.884 -0.287 -10.033 1.00 0.00 C ATOM 290 CD1 LEU A 20 8.734 1.179 -9.655 1.00 0.00 C ATOM 291 CD2 LEU A 20 9.473 -0.423 -11.430 1.00 0.00 C ATOM 0 H LEU A 20 8.808 -3.511 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 20 9.841 -2.764 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.373 -0.807 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.765 -0.610 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 20 7.895 -0.744 -10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.111 1.683 -10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.267 1.256 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.717 1.650 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.840 0.103 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.474 0.008 -11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.527 -1.477 -11.701 1.00 0.00 H new ATOM 303 N LEU A 21 11.998 -3.602 -9.424 1.00 0.00 N ATOM 304 CA LEU A 21 13.268 -4.158 -8.968 1.00 0.00 C ATOM 305 C LEU A 21 13.036 -5.360 -8.062 1.00 0.00 C ATOM 306 O LEU A 21 11.895 -5.758 -7.822 1.00 0.00 O ATOM 307 CB LEU A 21 14.084 -3.096 -8.225 1.00 0.00 C ATOM 308 CG LEU A 21 14.505 -1.894 -9.072 1.00 0.00 C ATOM 309 CD1 LEU A 21 15.237 -2.353 -10.323 1.00 0.00 C ATOM 310 CD2 LEU A 21 13.292 -1.053 -9.439 1.00 0.00 C ATOM 0 H LEU A 21 11.853 -3.657 -10.432 1.00 0.00 H new ATOM 0 HA LEU A 21 13.828 -4.484 -9.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.499 -2.737 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 21 14.979 -3.566 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 21 15.186 -1.278 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.529 -1.484 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 21 16.127 -2.914 -10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.581 -2.990 -10.915 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.608 -0.202 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.588 -1.659 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.809 -0.695 -8.530 1.00 0.00 H new ATOM 322 N LYS A 22 14.122 -5.938 -7.560 1.00 0.00 N ATOM 323 CA LYS A 22 14.033 -7.098 -6.679 1.00 0.00 C ATOM 324 C LYS A 22 13.109 -6.814 -5.499 1.00 0.00 C ATOM 325 O LYS A 22 13.385 -5.853 -4.750 1.00 0.00 O ATOM 326 CB LYS A 22 15.423 -7.490 -6.174 1.00 0.00 C ATOM 327 CG LYS A 22 16.149 -8.463 -7.088 1.00 0.00 C ATOM 328 CD LYS A 22 16.761 -7.752 -8.283 1.00 0.00 C ATOM 329 CE LYS A 22 17.809 -6.738 -7.854 1.00 0.00 C ATOM 330 NZ LYS A 22 18.731 -7.293 -6.825 1.00 0.00 N ATOM 331 OXT LYS A 22 12.117 -7.555 -5.333 1.00 0.00 O ATOM 0 H LYS A 22 15.074 -5.623 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 22 13.617 -7.927 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.027 -6.590 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.329 -7.936 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.931 -8.975 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.453 -9.227 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.215 -8.485 -8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.977 -7.249 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.384 -6.421 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.315 -5.851 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.632 -6.774 -6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.300 -7.194 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.906 -8.299 -7.022 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 13.476 4.680 1.976 1.00 0.00 N ATOM 347 CA SER B 23 14.420 5.347 1.042 1.00 0.00 C ATOM 348 C SER B 23 13.675 6.047 -0.090 1.00 0.00 C ATOM 349 O SER B 23 13.309 5.423 -1.085 1.00 0.00 O ATOM 350 CB SER B 23 15.371 4.292 0.472 1.00 0.00 C ATOM 351 OG SER B 23 16.518 4.896 -0.102 1.00 0.00 O ATOM 0 HA SER B 23 14.982 6.107 1.586 1.00 0.00 H new ATOM 0 HB2 SER B 23 15.675 3.606 1.263 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.852 3.700 -0.282 1.00 0.00 H new ATOM 0 HG SER B 23 16.242 5.515 -0.810 1.00 0.00 H new ATOM 359 N ASN B 24 13.457 7.351 0.072 1.00 0.00 N ATOM 360 CA ASN B 24 12.757 8.155 -0.930 1.00 0.00 C ATOM 361 C ASN B 24 11.532 7.424 -1.477 1.00 0.00 C ATOM 362 O ASN B 24 11.310 7.375 -2.689 1.00 0.00 O ATOM 363 CB ASN B 24 13.705 8.526 -2.073 1.00 0.00 C ATOM 364 CG ASN B 24 14.356 7.314 -2.708 1.00 0.00 C ATOM 365 OD1 ASN B 24 15.503 6.983 -2.408 1.00 0.00 O ATOM 366 ND2 ASN B 24 13.625 6.643 -3.591 1.00 0.00 N ATOM 0 H ASN B 24 13.757 7.877 0.893 1.00 0.00 H new ATOM 0 HA ASN B 24 12.413 9.067 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.152 9.077 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.479 9.194 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.010 5.818 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN B 24 12.678 6.953 -3.810 1.00 0.00 H new ATOM 373 N PHE B 25 10.737 6.860 -0.572 1.00 0.00 N ATOM 374 CA PHE B 25 9.533 6.133 -0.957 1.00 0.00 C ATOM 375 C PHE B 25 8.296 6.754 -0.313 1.00 0.00 C ATOM 376 O PHE B 25 8.337 7.193 0.837 1.00 0.00 O ATOM 377 CB PHE B 25 9.647 4.660 -0.556 1.00 0.00 C ATOM 378 CG PHE B 25 8.410 3.860 -0.854 1.00 0.00 C ATOM 379 CD1 PHE B 25 7.342 3.857 0.030 1.00 0.00 C ATOM 380 CD2 PHE B 25 8.314 3.112 -2.016 1.00 0.00 C ATOM 381 CE1 PHE B 25 6.204 3.125 -0.240 1.00 0.00 C ATOM 382 CE2 PHE B 25 7.177 2.377 -2.291 1.00 0.00 C ATOM 383 CZ PHE B 25 6.121 2.382 -1.402 1.00 0.00 C ATOM 0 H PHE B 25 10.906 6.893 0.433 1.00 0.00 H new ATOM 0 HA PHE B 25 9.430 6.198 -2.040 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.493 4.214 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE B 25 9.862 4.598 0.511 1.00 0.00 H new ATOM 0 HD1 PHE B 25 7.401 4.434 0.941 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.137 3.103 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE B 25 5.379 3.133 0.456 1.00 0.00 H new ATOM 0 HE2 PHE B 25 7.114 1.799 -3.201 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.232 1.807 -1.614 1.00 0.00 H new ATOM 393 N LEU B 26 7.199 6.785 -1.061 1.00 0.00 N ATOM 394 CA LEU B 26 5.950 7.351 -0.563 1.00 0.00 C ATOM 395 C LEU B 26 4.747 6.621 -1.152 1.00 0.00 C ATOM 396 O LEU B 26 4.517 6.656 -2.361 1.00 0.00 O ATOM 397 CB LEU B 26 5.872 8.841 -0.899 1.00 0.00 C ATOM 398 CG LEU B 26 6.716 9.752 -0.005 1.00 0.00 C ATOM 399 CD1 LEU B 26 8.073 10.015 -0.637 1.00 0.00 C ATOM 400 CD2 LEU B 26 5.987 11.062 0.262 1.00 0.00 C ATOM 0 H LEU B 26 7.149 6.425 -2.014 1.00 0.00 H new ATOM 0 HA LEU B 26 5.931 7.228 0.520 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.185 8.981 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.831 9.158 -0.835 1.00 0.00 H new ATOM 0 HG LEU B 26 6.875 9.246 0.947 1.00 0.00 H new ATOM 0 HD11 LEU B 26 8.658 10.665 0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.599 9.071 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU B 26 7.936 10.499 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU B 26 6.602 11.697 0.899 1.00 0.00 H new ATOM 0 HD22 LEU B 26 5.797 11.571 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.040 10.856 0.761 1.00 0.00 H new ATOM 412 N ASN B 27 3.981 5.962 -0.290 1.00 0.00 N ATOM 413 CA ASN B 27 2.798 5.227 -0.724 1.00 0.00 C ATOM 414 C ASN B 27 1.553 5.728 0.002 1.00 0.00 C ATOM 415 O ASN B 27 1.205 5.234 1.073 1.00 0.00 O ATOM 416 CB ASN B 27 2.982 3.726 -0.481 1.00 0.00 C ATOM 417 CG ASN B 27 1.791 2.916 -0.953 1.00 0.00 C ATOM 418 OD1 ASN B 27 1.302 3.100 -2.068 1.00 0.00 O ATOM 419 ND2 ASN B 27 1.316 2.012 -0.105 1.00 0.00 N ATOM 0 H ASN B 27 4.158 5.921 0.714 1.00 0.00 H new ATOM 0 HA ASN B 27 2.666 5.396 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN B 27 3.879 3.384 -0.998 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.140 3.549 0.583 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.515 1.437 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.752 1.892 0.810 1.00 0.00 H new ATOM 426 N CYS B 28 0.887 6.713 -0.591 1.00 0.00 N ATOM 427 CA CYS B 28 -0.320 7.282 -0.002 1.00 0.00 C ATOM 428 C CYS B 28 -1.535 6.419 -0.322 1.00 0.00 C ATOM 429 O CYS B 28 -1.901 6.251 -1.484 1.00 0.00 O ATOM 430 CB CYS B 28 -0.540 8.706 -0.516 1.00 0.00 C ATOM 431 SG CYS B 28 0.743 9.877 -0.013 1.00 0.00 S ATOM 0 H CYS B 28 1.162 7.134 -1.478 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.191 7.311 1.080 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.591 8.684 -1.605 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.505 9.065 -0.159 1.00 0.00 H new ATOM 0 HG CYS B 28 0.471 11.053 -0.497 1.00 0.00 H new ATOM 437 N TYR B 29 -2.157 5.873 0.719 1.00 0.00 N ATOM 438 CA TYR B 29 -3.330 5.026 0.548 1.00 0.00 C ATOM 439 C TYR B 29 -4.582 5.707 1.097 1.00 0.00 C ATOM 440 O TYR B 29 -4.787 5.771 2.309 1.00 0.00 O ATOM 441 CB TYR B 29 -3.117 3.673 1.243 1.00 0.00 C ATOM 442 CG TYR B 29 -4.366 2.817 1.335 1.00 0.00 C ATOM 443 CD1 TYR B 29 -5.414 2.985 0.439 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.497 1.845 2.319 1.00 0.00 C ATOM 445 CE1 TYR B 29 -6.555 2.212 0.519 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.637 1.066 2.406 1.00 0.00 C ATOM 447 CZ TYR B 29 -6.662 1.255 1.504 1.00 0.00 C ATOM 448 OH TYR B 29 -7.797 0.484 1.586 1.00 0.00 O ATOM 0 H TYR B 29 -1.868 6.003 1.688 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.473 4.858 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -2.349 3.118 0.705 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -2.737 3.850 2.249 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -5.335 3.734 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -3.696 1.695 3.028 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.359 2.357 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -5.723 0.314 3.176 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.657 -0.236 2.236 1.00 0.00 H new ATOM 458 N VAL B 30 -5.421 6.202 0.193 1.00 0.00 N ATOM 459 CA VAL B 30 -6.660 6.863 0.584 1.00 0.00 C ATOM 460 C VAL B 30 -7.855 5.946 0.345 1.00 0.00 C ATOM 461 O VAL B 30 -8.270 5.737 -0.798 1.00 0.00 O ATOM 462 CB VAL B 30 -6.870 8.178 -0.189 1.00 0.00 C ATOM 463 CG1 VAL B 30 -8.021 8.971 0.411 1.00 0.00 C ATOM 464 CG2 VAL B 30 -5.593 9.005 -0.199 1.00 0.00 C ATOM 0 H VAL B 30 -5.265 6.158 -0.814 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.580 7.093 1.646 1.00 0.00 H new ATOM 0 HB VAL B 30 -7.124 7.934 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -8.155 9.897 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -8.936 8.380 0.359 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -7.798 9.204 1.452 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -5.763 9.930 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -5.304 9.241 0.825 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -4.796 8.438 -0.679 1.00 0.00 H new ATOM 474 N SER B 31 -8.400 5.392 1.428 1.00 0.00 N ATOM 475 CA SER B 31 -9.541 4.486 1.335 1.00 0.00 C ATOM 476 C SER B 31 -10.721 5.152 0.634 1.00 0.00 C ATOM 477 O SER B 31 -10.633 6.299 0.197 1.00 0.00 O ATOM 478 CB SER B 31 -9.964 4.022 2.729 1.00 0.00 C ATOM 479 OG SER B 31 -9.090 3.020 3.220 1.00 0.00 O ATOM 0 H SER B 31 -8.069 5.556 2.379 1.00 0.00 H new ATOM 0 HA SER B 31 -9.233 3.623 0.744 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.969 4.871 3.412 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.982 3.635 2.694 1.00 0.00 H new ATOM 0 HG SER B 31 -8.463 3.418 3.860 1.00 0.00 H new ATOM 485 N GLY B 32 -11.825 4.418 0.530 1.00 0.00 N ATOM 486 CA GLY B 32 -13.012 4.943 -0.118 1.00 0.00 C ATOM 487 C GLY B 32 -13.268 4.300 -1.467 1.00 0.00 C ATOM 488 O GLY B 32 -13.467 4.993 -2.465 1.00 0.00 O ATOM 0 H GLY B 32 -11.918 3.466 0.884 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -13.876 4.783 0.527 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -12.906 6.020 -0.247 1.00 0.00 H new ATOM 492 N PHE B 33 -13.263 2.970 -1.499 1.00 0.00 N ATOM 493 CA PHE B 33 -13.497 2.237 -2.737 1.00 0.00 C ATOM 494 C PHE B 33 -13.800 0.766 -2.460 1.00 0.00 C ATOM 495 O PHE B 33 -13.491 0.251 -1.386 1.00 0.00 O ATOM 496 CB PHE B 33 -12.280 2.360 -3.665 1.00 0.00 C ATOM 497 CG PHE B 33 -11.124 1.462 -3.304 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.845 1.154 -1.981 1.00 0.00 C ATOM 499 CD2 PHE B 33 -10.314 0.929 -4.294 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.780 0.333 -1.656 1.00 0.00 C ATOM 501 CE2 PHE B 33 -9.250 0.106 -3.972 1.00 0.00 C ATOM 502 CZ PHE B 33 -8.983 -0.192 -2.653 1.00 0.00 C ATOM 0 H PHE B 33 -13.100 2.380 -0.683 1.00 0.00 H new ATOM 0 HA PHE B 33 -14.366 2.675 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -12.593 2.136 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -11.936 3.394 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -11.466 1.559 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -10.516 1.159 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -9.572 0.103 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -8.628 -0.303 -4.754 1.00 0.00 H new ATOM 0 HZ PHE B 33 -8.152 -0.835 -2.400 1.00 0.00 H new ATOM 512 N HIS B 34 -14.402 0.097 -3.438 1.00 0.00 N ATOM 513 CA HIS B 34 -14.740 -1.315 -3.302 1.00 0.00 C ATOM 514 C HIS B 34 -14.665 -2.034 -4.651 1.00 0.00 C ATOM 515 O HIS B 34 -15.625 -2.680 -5.070 1.00 0.00 O ATOM 516 CB HIS B 34 -16.142 -1.465 -2.707 1.00 0.00 C ATOM 517 CG HIS B 34 -17.184 -0.659 -3.418 1.00 0.00 C ATOM 518 ND1 HIS B 34 -17.441 -0.782 -4.767 1.00 0.00 N ATOM 519 CD2 HIS B 34 -18.042 0.283 -2.958 1.00 0.00 C ATOM 520 CE1 HIS B 34 -18.409 0.052 -5.107 1.00 0.00 C ATOM 521 NE2 HIS B 34 -18.790 0.709 -4.027 1.00 0.00 N ATOM 0 H HIS B 34 -14.666 0.510 -4.333 1.00 0.00 H new ATOM 0 HA HIS B 34 -14.013 -1.773 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -16.428 -2.517 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -16.117 -1.167 -1.659 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -16.959 -1.417 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -18.122 0.634 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -18.818 0.175 -6.099 1.00 0.00 H new ATOM 530 N PRO B 35 -13.523 -1.928 -5.357 1.00 0.00 N ATOM 531 CA PRO B 35 -13.329 -2.561 -6.660 1.00 0.00 C ATOM 532 C PRO B 35 -12.905 -4.024 -6.541 1.00 0.00 C ATOM 533 O PRO B 35 -13.686 -4.930 -6.831 1.00 0.00 O ATOM 534 CB PRO B 35 -12.207 -1.727 -7.304 1.00 0.00 C ATOM 535 CG PRO B 35 -11.832 -0.685 -6.293 1.00 0.00 C ATOM 536 CD PRO B 35 -12.327 -1.183 -4.967 1.00 0.00 C ATOM 0 HA PRO B 35 -14.251 -2.579 -7.241 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -11.351 -2.353 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -12.547 -1.266 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -10.753 -0.534 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -12.283 0.276 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -11.594 -1.817 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -12.559 -0.366 -4.284 1.00 0.00 H new ATOM 544 N SER B 36 -11.661 -4.246 -6.120 1.00 0.00 N ATOM 545 CA SER B 36 -11.139 -5.600 -5.973 1.00 0.00 C ATOM 546 C SER B 36 -9.949 -5.634 -5.001 1.00 0.00 C ATOM 547 O SER B 36 -10.091 -5.274 -3.831 1.00 0.00 O ATOM 548 CB SER B 36 -10.743 -6.154 -7.346 1.00 0.00 C ATOM 549 OG SER B 36 -10.233 -7.473 -7.238 1.00 0.00 O ATOM 0 H SER B 36 -11.000 -3.508 -5.876 1.00 0.00 H new ATOM 0 HA SER B 36 -11.921 -6.231 -5.551 1.00 0.00 H new ATOM 0 HB2 SER B 36 -11.610 -6.149 -8.007 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.992 -5.507 -7.800 1.00 0.00 H new ATOM 0 HG SER B 36 -10.567 -8.015 -7.983 1.00 0.00 H new ATOM 555 N ASP B 37 -8.780 -6.069 -5.480 1.00 0.00 N ATOM 556 CA ASP B 37 -7.591 -6.144 -4.635 1.00 0.00 C ATOM 557 C ASP B 37 -6.419 -5.405 -5.273 1.00 0.00 C ATOM 558 O ASP B 37 -6.437 -5.103 -6.468 1.00 0.00 O ATOM 559 CB ASP B 37 -7.207 -7.604 -4.385 1.00 0.00 C ATOM 560 CG ASP B 37 -8.404 -8.473 -4.048 1.00 0.00 C ATOM 561 OD1 ASP B 37 -9.426 -7.924 -3.587 1.00 0.00 O ATOM 562 OD2 ASP B 37 -8.316 -9.704 -4.244 1.00 0.00 O ATOM 0 H ASP B 37 -8.635 -6.372 -6.443 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.825 -5.666 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -6.712 -8.002 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -6.487 -7.652 -3.568 1.00 0.00 H new ATOM 567 N ILE B 38 -5.399 -5.120 -4.470 1.00 0.00 N ATOM 568 CA ILE B 38 -4.216 -4.421 -4.955 1.00 0.00 C ATOM 569 C ILE B 38 -2.961 -4.917 -4.245 1.00 0.00 C ATOM 570 O ILE B 38 -2.956 -5.100 -3.028 1.00 0.00 O ATOM 571 CB ILE B 38 -4.337 -2.898 -4.752 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.698 -2.401 -5.242 1.00 0.00 C ATOM 573 CG2 ILE B 38 -3.211 -2.177 -5.477 1.00 0.00 C ATOM 574 CD1 ILE B 38 -5.940 -0.932 -4.966 1.00 0.00 C ATOM 0 H ILE B 38 -5.369 -5.363 -3.480 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.139 -4.631 -6.022 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.256 -2.681 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.776 -2.579 -6.315 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -6.483 -2.987 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.310 -1.102 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.251 -2.513 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.264 -2.399 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.924 -0.649 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -5.894 -0.751 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -5.176 -0.337 -5.467 1.00 0.00 H new ATOM 586 N GLU B 39 -1.898 -5.139 -5.012 1.00 0.00 N ATOM 587 CA GLU B 39 -0.639 -5.617 -4.452 1.00 0.00 C ATOM 588 C GLU B 39 0.534 -4.763 -4.922 1.00 0.00 C ATOM 589 O GLU B 39 0.550 -4.277 -6.053 1.00 0.00 O ATOM 590 CB GLU B 39 -0.408 -7.079 -4.839 1.00 0.00 C ATOM 591 CG GLU B 39 0.545 -7.812 -3.907 1.00 0.00 C ATOM 592 CD GLU B 39 1.244 -8.974 -4.585 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.735 -9.451 -5.620 1.00 0.00 O ATOM 594 OE2 GLU B 39 2.300 -9.407 -4.079 1.00 0.00 O ATOM 0 H GLU B 39 -1.883 -4.996 -6.022 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.704 -5.539 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.366 -7.599 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.013 -7.119 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.292 -7.112 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.009 -8.180 -3.043 1.00 0.00 H new ATOM 601 N VAL B 40 1.517 -4.587 -4.042 1.00 0.00 N ATOM 602 CA VAL B 40 2.699 -3.795 -4.359 1.00 0.00 C ATOM 603 C VAL B 40 3.949 -4.413 -3.737 1.00 0.00 C ATOM 604 O VAL B 40 3.914 -4.902 -2.608 1.00 0.00 O ATOM 605 CB VAL B 40 2.551 -2.342 -3.865 1.00 0.00 C ATOM 606 CG1 VAL B 40 3.739 -1.497 -4.303 1.00 0.00 C ATOM 607 CG2 VAL B 40 1.248 -1.740 -4.366 1.00 0.00 C ATOM 0 H VAL B 40 1.517 -4.984 -3.102 1.00 0.00 H new ATOM 0 HA VAL B 40 2.800 -3.788 -5.444 1.00 0.00 H new ATOM 0 HB VAL B 40 2.529 -2.352 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL B 40 3.612 -0.476 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL B 40 4.656 -1.916 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.801 -1.493 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL B 40 1.160 -0.714 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.240 -1.746 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL B 40 0.409 -2.328 -3.994 1.00 0.00 H new ATOM 617 N ASP B 41 5.050 -4.390 -4.481 1.00 0.00 N ATOM 618 CA ASP B 41 6.310 -4.951 -4.003 1.00 0.00 C ATOM 619 C ASP B 41 7.480 -4.429 -4.831 1.00 0.00 C ATOM 620 O ASP B 41 7.549 -4.657 -6.039 1.00 0.00 O ATOM 621 CB ASP B 41 6.269 -6.478 -4.060 1.00 0.00 C ATOM 622 CG ASP B 41 7.486 -7.114 -3.420 1.00 0.00 C ATOM 623 OD1 ASP B 41 8.616 -6.697 -3.749 1.00 0.00 O ATOM 624 OD2 ASP B 41 7.310 -8.031 -2.589 1.00 0.00 O ATOM 0 H ASP B 41 5.096 -3.989 -5.418 1.00 0.00 H new ATOM 0 HA ASP B 41 6.450 -4.640 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.370 -6.833 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.200 -6.798 -5.100 1.00 0.00 H new ATOM 629 N LEU B 42 8.396 -3.722 -4.178 1.00 0.00 N ATOM 630 CA LEU B 42 9.553 -3.166 -4.867 1.00 0.00 C ATOM 631 C LEU B 42 10.690 -2.863 -3.895 1.00 0.00 C ATOM 632 O LEU B 42 10.639 -3.236 -2.719 1.00 0.00 O ATOM 633 CB LEU B 42 9.153 -1.891 -5.622 1.00 0.00 C ATOM 634 CG LEU B 42 8.851 -0.668 -4.745 1.00 0.00 C ATOM 635 CD1 LEU B 42 8.213 0.436 -5.574 1.00 0.00 C ATOM 636 CD2 LEU B 42 7.947 -1.046 -3.581 1.00 0.00 C ATOM 0 H LEU B 42 8.360 -3.522 -3.179 1.00 0.00 H new ATOM 0 HA LEU B 42 9.910 -3.911 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU B 42 9.956 -1.632 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU B 42 8.272 -2.109 -6.226 1.00 0.00 H new ATOM 0 HG LEU B 42 9.793 -0.300 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU B 42 8.005 1.296 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU B 42 8.894 0.732 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU B 42 7.282 0.073 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU B 42 7.747 -0.163 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU B 42 7.007 -1.443 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU B 42 8.438 -1.803 -2.970 1.00 0.00 H new ATOM 648 N LEU B 43 11.716 -2.182 -4.401 1.00 0.00 N ATOM 649 CA LEU B 43 12.874 -1.816 -3.592 1.00 0.00 C ATOM 650 C LEU B 43 13.547 -3.051 -3.001 1.00 0.00 C ATOM 651 O LEU B 43 12.958 -4.131 -2.954 1.00 0.00 O ATOM 652 CB LEU B 43 12.456 -0.859 -2.473 1.00 0.00 C ATOM 653 CG LEU B 43 12.700 0.622 -2.766 1.00 0.00 C ATOM 654 CD1 LEU B 43 14.163 0.865 -3.107 1.00 0.00 C ATOM 655 CD2 LEU B 43 11.801 1.097 -3.898 1.00 0.00 C ATOM 0 H LEU B 43 11.768 -1.872 -5.371 1.00 0.00 H new ATOM 0 HA LEU B 43 13.593 -1.316 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.395 -1.004 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU B 43 12.995 -1.128 -1.565 1.00 0.00 H new ATOM 0 HG LEU B 43 12.457 1.194 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU B 43 14.318 1.924 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU B 43 14.788 0.564 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU B 43 14.433 0.281 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU B 43 11.988 2.153 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU B 43 12.013 0.519 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU B 43 10.757 0.960 -3.616 1.00 0.00 H new ATOM 667 N LYS B 44 14.787 -2.883 -2.552 1.00 0.00 N ATOM 668 CA LYS B 44 15.544 -3.981 -1.963 1.00 0.00 C ATOM 669 C LYS B 44 16.765 -3.461 -1.210 1.00 0.00 C ATOM 670 O LYS B 44 16.813 -2.244 -0.932 1.00 0.00 O ATOM 671 CB LYS B 44 15.982 -4.967 -3.047 1.00 0.00 C ATOM 672 CG LYS B 44 16.605 -4.298 -4.262 1.00 0.00 C ATOM 673 CD LYS B 44 18.025 -3.833 -3.980 1.00 0.00 C ATOM 674 CE LYS B 44 18.103 -2.319 -3.869 1.00 0.00 C ATOM 675 NZ LYS B 44 17.807 -1.651 -5.167 1.00 0.00 N ATOM 676 OXT LYS B 44 17.660 -4.275 -0.904 1.00 0.00 O ATOM 0 H LYS B 44 15.289 -1.996 -2.585 1.00 0.00 H new ATOM 0 HA LYS B 44 14.895 -4.495 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS B 44 16.700 -5.668 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS B 44 15.118 -5.550 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS B 44 16.610 -4.996 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS B 44 15.995 -3.445 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS B 44 18.380 -4.286 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS B 44 18.686 -4.175 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS B 44 17.397 -1.974 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS B 44 19.098 -2.031 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 18.217 -0.695 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 18.219 -2.205 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 16.777 -1.585 -5.297 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 13.937 11.374 2.499 1.00 0.00 N ATOM 692 CA SER C 45 14.069 9.971 2.028 1.00 0.00 C ATOM 693 C SER C 45 13.694 8.983 3.129 1.00 0.00 C ATOM 694 O SER C 45 14.449 8.783 4.081 1.00 0.00 O ATOM 695 CB SER C 45 15.514 9.740 1.582 1.00 0.00 C ATOM 696 OG SER C 45 16.426 10.084 2.610 1.00 0.00 O ATOM 0 HA SER C 45 13.387 9.808 1.193 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.650 8.694 1.306 1.00 0.00 H new ATOM 0 HB3 SER C 45 15.723 10.334 0.692 1.00 0.00 H new ATOM 0 HG SER C 45 16.075 9.782 3.474 1.00 0.00 H new ATOM 704 N ASN C 46 12.526 8.364 2.992 1.00 0.00 N ATOM 705 CA ASN C 46 12.056 7.397 3.975 1.00 0.00 C ATOM 706 C ASN C 46 10.741 6.760 3.534 1.00 0.00 C ATOM 707 O ASN C 46 10.161 7.152 2.522 1.00 0.00 O ATOM 708 CB ASN C 46 11.879 8.070 5.339 1.00 0.00 C ATOM 709 CG ASN C 46 10.830 9.165 5.312 1.00 0.00 C ATOM 710 OD1 ASN C 46 11.196 10.324 4.777 1.00 0.00 O flip ATOM 711 ND2 ASN C 46 9.703 8.971 5.769 1.00 0.00 N flip ATOM 0 H ASN C 46 11.889 8.515 2.210 1.00 0.00 H new ATOM 0 HA ASN C 46 12.806 6.611 4.059 1.00 0.00 H new ATOM 0 HB2 ASN C 46 11.598 7.319 6.078 1.00 0.00 H new ATOM 0 HB3 ASN C 46 12.832 8.491 5.660 1.00 0.00 H new ATOM 0 HD21 ASN C 46 9.465 8.064 6.171 1.00 0.00 H new ATOM 0 HD22 ASN C 46 9.008 9.717 5.746 1.00 0.00 H new ATOM 718 N PHE C 47 10.280 5.778 4.301 1.00 0.00 N ATOM 719 CA PHE C 47 9.033 5.085 3.991 1.00 0.00 C ATOM 720 C PHE C 47 7.837 5.834 4.570 1.00 0.00 C ATOM 721 O PHE C 47 7.621 5.837 5.782 1.00 0.00 O ATOM 722 CB PHE C 47 9.076 3.656 4.540 1.00 0.00 C ATOM 723 CG PHE C 47 7.782 2.906 4.390 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.307 2.560 3.134 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.043 2.544 5.504 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.119 1.867 2.993 1.00 0.00 C ATOM 727 CE2 PHE C 47 5.854 1.851 5.370 1.00 0.00 C ATOM 728 CZ PHE C 47 5.393 1.512 4.114 1.00 0.00 C ATOM 0 H PHE C 47 10.750 5.443 5.142 1.00 0.00 H new ATOM 0 HA PHE C 47 8.921 5.048 2.907 1.00 0.00 H new ATOM 0 HB2 PHE C 47 9.865 3.105 4.029 1.00 0.00 H new ATOM 0 HB3 PHE C 47 9.344 3.691 5.596 1.00 0.00 H new ATOM 0 HD1 PHE C 47 7.872 2.835 2.256 1.00 0.00 H new ATOM 0 HD2 PHE C 47 7.400 2.806 6.489 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.759 1.604 2.009 1.00 0.00 H new ATOM 0 HE2 PHE C 47 5.287 1.575 6.247 1.00 0.00 H new ATOM 0 HZ PHE C 47 4.465 0.970 4.007 1.00 0.00 H new ATOM 738 N LEU C 48 7.062 6.468 3.694 1.00 0.00 N ATOM 739 CA LEU C 48 5.887 7.219 4.120 1.00 0.00 C ATOM 740 C LEU C 48 4.613 6.620 3.532 1.00 0.00 C ATOM 741 O LEU C 48 4.114 7.083 2.506 1.00 0.00 O ATOM 742 CB LEU C 48 6.013 8.686 3.704 1.00 0.00 C ATOM 743 CG LEU C 48 4.996 9.629 4.348 1.00 0.00 C ATOM 744 CD1 LEU C 48 5.093 9.561 5.865 1.00 0.00 C ATOM 745 CD2 LEU C 48 5.208 11.055 3.863 1.00 0.00 C ATOM 0 H LEU C 48 7.227 6.476 2.687 1.00 0.00 H new ATOM 0 HA LEU C 48 5.826 7.160 5.207 1.00 0.00 H new ATOM 0 HB2 LEU C 48 7.016 9.034 3.952 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.911 8.751 2.621 1.00 0.00 H new ATOM 0 HG LEU C 48 3.996 9.311 4.052 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.362 10.238 6.307 1.00 0.00 H new ATOM 0 HD12 LEU C 48 4.891 8.543 6.197 1.00 0.00 H new ATOM 0 HD13 LEU C 48 6.095 9.853 6.179 1.00 0.00 H new ATOM 0 HD21 LEU C 48 4.475 11.712 4.332 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.213 11.384 4.129 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.088 11.093 2.780 1.00 0.00 H new ATOM 757 N ASN C 49 4.090 5.592 4.190 1.00 0.00 N ATOM 758 CA ASN C 49 2.872 4.933 3.733 1.00 0.00 C ATOM 759 C ASN C 49 1.660 5.451 4.503 1.00 0.00 C ATOM 760 O ASN C 49 1.431 5.071 5.651 1.00 0.00 O ATOM 761 CB ASN C 49 2.998 3.415 3.896 1.00 0.00 C ATOM 762 CG ASN C 49 1.698 2.681 3.619 1.00 0.00 C ATOM 763 OD1 ASN C 49 1.355 1.721 4.308 1.00 0.00 O ATOM 764 ND2 ASN C 49 0.968 3.130 2.604 1.00 0.00 N ATOM 0 H ASN C 49 4.490 5.197 5.041 1.00 0.00 H new ATOM 0 HA ASN C 49 2.731 5.161 2.677 1.00 0.00 H new ATOM 0 HB2 ASN C 49 3.769 3.045 3.221 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.328 3.190 4.910 1.00 0.00 H new ATOM 0 HD21 ASN C 49 0.085 2.675 2.370 1.00 0.00 H new ATOM 0 HD22 ASN C 49 1.290 3.929 2.059 1.00 0.00 H new ATOM 771 N CYS C 50 0.886 6.320 3.860 1.00 0.00 N ATOM 772 CA CYS C 50 -0.304 6.892 4.481 1.00 0.00 C ATOM 773 C CYS C 50 -1.484 5.932 4.377 1.00 0.00 C ATOM 774 O CYS C 50 -1.956 5.634 3.281 1.00 0.00 O ATOM 775 CB CYS C 50 -0.657 8.226 3.820 1.00 0.00 C ATOM 776 SG CYS C 50 -1.290 9.473 4.967 1.00 0.00 S ATOM 0 H CYS C 50 1.062 6.644 2.909 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.089 7.063 5.536 1.00 0.00 H new ATOM 0 HB2 CYS C 50 0.231 8.620 3.325 1.00 0.00 H new ATOM 0 HB3 CYS C 50 -1.402 8.049 3.045 1.00 0.00 H new ATOM 0 HG CYS C 50 -1.558 10.566 4.316 1.00 0.00 H new ATOM 782 N TYR C 51 -1.955 5.449 5.522 1.00 0.00 N ATOM 783 CA TYR C 51 -3.079 4.520 5.552 1.00 0.00 C ATOM 784 C TYR C 51 -4.278 5.133 6.269 1.00 0.00 C ATOM 785 O TYR C 51 -4.314 5.195 7.498 1.00 0.00 O ATOM 786 CB TYR C 51 -2.665 3.218 6.241 1.00 0.00 C ATOM 787 CG TYR C 51 -3.714 2.130 6.171 1.00 0.00 C ATOM 788 CD1 TYR C 51 -4.901 2.235 6.884 1.00 0.00 C ATOM 789 CD2 TYR C 51 -3.514 0.996 5.392 1.00 0.00 C ATOM 790 CE1 TYR C 51 -5.860 1.241 6.823 1.00 0.00 C ATOM 791 CE2 TYR C 51 -4.468 -0.001 5.326 1.00 0.00 C ATOM 792 CZ TYR C 51 -5.639 0.126 6.043 1.00 0.00 C ATOM 793 OH TYR C 51 -6.591 -0.866 5.981 1.00 0.00 O ATOM 0 H TYR C 51 -1.577 5.685 6.440 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.371 4.305 4.524 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -1.745 2.853 5.784 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -2.441 3.427 7.287 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -5.078 3.107 7.496 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -2.598 0.893 4.829 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -6.778 1.338 7.384 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -4.297 -0.876 4.716 1.00 0.00 H new ATOM 0 HH TYR C 51 -7.288 -0.611 5.341 1.00 0.00 H new ATOM 803 N VAL C 52 -5.261 5.580 5.492 1.00 0.00 N ATOM 804 CA VAL C 52 -6.465 6.182 6.054 1.00 0.00 C ATOM 805 C VAL C 52 -7.688 5.314 5.779 1.00 0.00 C ATOM 806 O VAL C 52 -8.091 5.133 4.625 1.00 0.00 O ATOM 807 CB VAL C 52 -6.711 7.597 5.494 1.00 0.00 C ATOM 808 CG1 VAL C 52 -5.550 8.517 5.838 1.00 0.00 C ATOM 809 CG2 VAL C 52 -6.936 7.550 3.991 1.00 0.00 C ATOM 0 H VAL C 52 -5.247 5.537 4.473 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.307 6.256 7.130 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.613 7.997 5.958 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -5.742 9.511 5.434 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -5.444 8.579 6.921 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -4.631 8.121 5.405 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -7.108 8.559 3.617 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -6.057 7.127 3.505 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -7.805 6.930 3.772 1.00 0.00 H new ATOM 819 N SER C 53 -8.268 4.774 6.849 1.00 0.00 N ATOM 820 CA SER C 53 -9.443 3.912 6.746 1.00 0.00 C ATOM 821 C SER C 53 -10.543 4.558 5.907 1.00 0.00 C ATOM 822 O SER C 53 -10.397 5.681 5.425 1.00 0.00 O ATOM 823 CB SER C 53 -9.980 3.586 8.141 1.00 0.00 C ATOM 824 OG SER C 53 -10.793 4.636 8.634 1.00 0.00 O ATOM 0 H SER C 53 -7.940 4.920 7.804 1.00 0.00 H new ATOM 0 HA SER C 53 -9.136 2.992 6.248 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.557 2.662 8.105 1.00 0.00 H new ATOM 0 HB3 SER C 53 -9.147 3.416 8.824 1.00 0.00 H new ATOM 0 HG SER C 53 -11.125 4.402 9.526 1.00 0.00 H new ATOM 830 N GLY C 54 -11.644 3.832 5.740 1.00 0.00 N ATOM 831 CA GLY C 54 -12.761 4.334 4.960 1.00 0.00 C ATOM 832 C GLY C 54 -13.415 3.244 4.134 1.00 0.00 C ATOM 833 O GLY C 54 -14.616 3.289 3.869 1.00 0.00 O ATOM 0 H GLY C 54 -11.783 2.901 6.133 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -13.501 4.775 5.629 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -12.414 5.129 4.300 1.00 0.00 H new ATOM 837 N PHE C 55 -12.618 2.262 3.725 1.00 0.00 N ATOM 838 CA PHE C 55 -13.114 1.149 2.923 1.00 0.00 C ATOM 839 C PHE C 55 -13.528 -0.030 3.804 1.00 0.00 C ATOM 840 O PHE C 55 -13.719 0.121 5.010 1.00 0.00 O ATOM 841 CB PHE C 55 -12.044 0.709 1.911 1.00 0.00 C ATOM 842 CG PHE C 55 -10.927 -0.121 2.496 1.00 0.00 C ATOM 843 CD1 PHE C 55 -10.596 -0.037 3.842 1.00 0.00 C ATOM 844 CD2 PHE C 55 -10.203 -0.984 1.689 1.00 0.00 C ATOM 845 CE1 PHE C 55 -9.570 -0.797 4.368 1.00 0.00 C ATOM 846 CE2 PHE C 55 -9.174 -1.746 2.211 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.858 -1.652 3.551 1.00 0.00 C ATOM 0 H PHE C 55 -11.621 2.215 3.937 1.00 0.00 H new ATOM 0 HA PHE C 55 -13.998 1.489 2.383 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -12.526 0.137 1.118 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -11.614 1.597 1.448 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -11.148 0.631 4.486 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -10.445 -1.062 0.639 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -9.325 -0.723 5.417 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.618 -2.414 1.570 1.00 0.00 H new ATOM 0 HZ PHE C 55 -8.055 -2.247 3.960 1.00 0.00 H new ATOM 857 N HIS C 56 -13.660 -1.203 3.191 1.00 0.00 N ATOM 858 CA HIS C 56 -14.045 -2.411 3.912 1.00 0.00 C ATOM 859 C HIS C 56 -13.875 -3.647 3.030 1.00 0.00 C ATOM 860 O HIS C 56 -13.182 -4.594 3.404 1.00 0.00 O ATOM 861 CB HIS C 56 -15.494 -2.309 4.399 1.00 0.00 C ATOM 862 CG HIS C 56 -15.673 -2.660 5.844 1.00 0.00 C ATOM 863 ND1 HIS C 56 -16.785 -3.317 6.324 1.00 0.00 N ATOM 864 CD2 HIS C 56 -14.876 -2.442 6.917 1.00 0.00 C ATOM 865 CE1 HIS C 56 -16.667 -3.485 7.629 1.00 0.00 C ATOM 866 NE2 HIS C 56 -15.516 -2.963 8.014 1.00 0.00 N ATOM 0 H HIS C 56 -13.505 -1.342 2.192 1.00 0.00 H new ATOM 0 HA HIS C 56 -13.390 -2.510 4.778 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -15.852 -1.293 4.235 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -16.118 -2.968 3.795 1.00 0.00 H new ATOM 0 HD1 HIS C 56 -17.576 -3.626 5.759 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -13.915 -1.949 6.911 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -17.389 -3.967 8.272 1.00 0.00 H new ATOM 875 N PRO C 57 -14.512 -3.660 1.843 1.00 0.00 N ATOM 876 CA PRO C 57 -14.437 -4.779 0.915 1.00 0.00 C ATOM 877 C PRO C 57 -13.353 -4.592 -0.144 1.00 0.00 C ATOM 878 O PRO C 57 -13.649 -4.449 -1.331 1.00 0.00 O ATOM 879 CB PRO C 57 -15.822 -4.743 0.277 1.00 0.00 C ATOM 880 CG PRO C 57 -16.180 -3.290 0.230 1.00 0.00 C ATOM 881 CD PRO C 57 -15.372 -2.593 1.303 1.00 0.00 C ATOM 0 HA PRO C 57 -14.180 -5.719 1.403 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -15.810 -5.181 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -16.544 -5.310 0.865 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -15.958 -2.871 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -17.247 -3.151 0.402 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -14.782 -1.774 0.891 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -16.014 -2.168 2.074 1.00 0.00 H new ATOM 889 N SER C 58 -12.095 -4.595 0.288 1.00 0.00 N ATOM 890 CA SER C 58 -10.975 -4.426 -0.632 1.00 0.00 C ATOM 891 C SER C 58 -9.682 -4.966 -0.026 1.00 0.00 C ATOM 892 O SER C 58 -9.556 -5.088 1.193 1.00 0.00 O ATOM 893 CB SER C 58 -10.802 -2.950 -1.001 1.00 0.00 C ATOM 894 OG SER C 58 -10.662 -2.787 -2.402 1.00 0.00 O ATOM 0 H SER C 58 -11.827 -4.712 1.265 1.00 0.00 H new ATOM 0 HA SER C 58 -11.196 -4.994 -1.536 1.00 0.00 H new ATOM 0 HB2 SER C 58 -11.663 -2.381 -0.650 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.925 -2.546 -0.495 1.00 0.00 H new ATOM 0 HG SER C 58 -10.252 -1.917 -2.591 1.00 0.00 H new ATOM 900 N ASP C 59 -8.722 -5.285 -0.890 1.00 0.00 N ATOM 901 CA ASP C 59 -7.434 -5.808 -0.446 1.00 0.00 C ATOM 902 C ASP C 59 -6.313 -4.822 -0.757 1.00 0.00 C ATOM 903 O ASP C 59 -6.292 -4.208 -1.825 1.00 0.00 O ATOM 904 CB ASP C 59 -7.149 -7.155 -1.116 1.00 0.00 C ATOM 905 CG ASP C 59 -7.419 -8.327 -0.193 1.00 0.00 C ATOM 906 OD1 ASP C 59 -8.600 -8.566 0.134 1.00 0.00 O ATOM 907 OD2 ASP C 59 -6.448 -9.009 0.201 1.00 0.00 O ATOM 0 H ASP C 59 -8.812 -5.190 -1.902 1.00 0.00 H new ATOM 0 HA ASP C 59 -7.478 -5.951 0.634 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.765 -7.251 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -6.109 -7.184 -1.441 1.00 0.00 H new ATOM 912 N ILE C 60 -5.383 -4.671 0.182 1.00 0.00 N ATOM 913 CA ILE C 60 -4.263 -3.753 0.005 1.00 0.00 C ATOM 914 C ILE C 60 -2.964 -4.356 0.529 1.00 0.00 C ATOM 915 O ILE C 60 -2.734 -4.405 1.737 1.00 0.00 O ATOM 916 CB ILE C 60 -4.513 -2.411 0.724 1.00 0.00 C ATOM 917 CG1 ILE C 60 -5.981 -1.996 0.594 1.00 0.00 C ATOM 918 CG2 ILE C 60 -3.599 -1.329 0.164 1.00 0.00 C ATOM 919 CD1 ILE C 60 -6.390 -1.646 -0.821 1.00 0.00 C ATOM 0 H ILE C 60 -5.383 -5.171 1.071 1.00 0.00 H new ATOM 0 HA ILE C 60 -4.173 -3.575 -1.067 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.286 -2.540 1.782 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -6.612 -2.808 0.955 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -6.165 -1.137 1.239 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -3.788 -0.389 0.682 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -2.559 -1.620 0.309 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.795 -1.202 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -7.442 -1.362 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.784 -0.814 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.238 -2.510 -1.468 1.00 0.00 H new ATOM 931 N GLU C 61 -2.116 -4.810 -0.387 1.00 0.00 N ATOM 932 CA GLU C 61 -0.837 -5.405 -0.017 1.00 0.00 C ATOM 933 C GLU C 61 0.321 -4.587 -0.580 1.00 0.00 C ATOM 934 O GLU C 61 0.349 -4.268 -1.767 1.00 0.00 O ATOM 935 CB GLU C 61 -0.754 -6.846 -0.523 1.00 0.00 C ATOM 936 CG GLU C 61 -0.129 -7.807 0.475 1.00 0.00 C ATOM 937 CD GLU C 61 1.327 -7.489 0.755 1.00 0.00 C ATOM 938 OE1 GLU C 61 1.591 -6.516 1.492 1.00 0.00 O ATOM 939 OE2 GLU C 61 2.203 -8.214 0.239 1.00 0.00 O ATOM 0 H GLU C 61 -2.291 -4.777 -1.391 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.764 -5.407 1.071 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -1.757 -7.194 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -0.174 -6.865 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -0.691 -7.772 1.408 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -0.208 -8.825 0.093 1.00 0.00 H new ATOM 946 N VAL C 62 1.275 -4.246 0.281 1.00 0.00 N ATOM 947 CA VAL C 62 2.431 -3.463 -0.137 1.00 0.00 C ATOM 948 C VAL C 62 3.728 -4.060 0.399 1.00 0.00 C ATOM 949 O VAL C 62 3.762 -4.609 1.501 1.00 0.00 O ATOM 950 CB VAL C 62 2.318 -2.000 0.333 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.421 -1.154 -0.283 1.00 0.00 C ATOM 952 CG2 VAL C 62 0.947 -1.436 -0.009 1.00 0.00 C ATOM 0 H VAL C 62 1.270 -4.499 1.269 1.00 0.00 H new ATOM 0 HA VAL C 62 2.450 -3.487 -1.227 1.00 0.00 H new ATOM 0 HB VAL C 62 2.437 -1.974 1.416 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.325 -0.124 0.061 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.392 -1.547 0.018 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.338 -1.183 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.884 -0.402 0.330 1.00 0.00 H new ATOM 0 HG22 VAL C 62 0.797 -1.474 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.177 -2.027 0.486 1.00 0.00 H new ATOM 962 N ASP C 63 4.791 -3.951 -0.390 1.00 0.00 N ATOM 963 CA ASP C 63 6.091 -4.482 0.001 1.00 0.00 C ATOM 964 C ASP C 63 7.214 -3.525 -0.391 1.00 0.00 C ATOM 965 O ASP C 63 7.117 -2.811 -1.388 1.00 0.00 O ATOM 966 CB ASP C 63 6.322 -5.849 -0.646 1.00 0.00 C ATOM 967 CG ASP C 63 5.858 -6.991 0.236 1.00 0.00 C ATOM 968 OD1 ASP C 63 4.644 -7.068 0.519 1.00 0.00 O ATOM 969 OD2 ASP C 63 6.709 -7.809 0.645 1.00 0.00 O ATOM 0 H ASP C 63 4.778 -3.499 -1.305 1.00 0.00 H new ATOM 0 HA ASP C 63 6.097 -4.594 1.085 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.794 -5.891 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP C 63 7.383 -5.970 -0.864 1.00 0.00 H new ATOM 974 N LEU C 64 8.280 -3.521 0.404 1.00 0.00 N ATOM 975 CA LEU C 64 9.427 -2.656 0.147 1.00 0.00 C ATOM 976 C LEU C 64 10.705 -3.291 0.685 1.00 0.00 C ATOM 977 O LEU C 64 11.241 -2.851 1.703 1.00 0.00 O ATOM 978 CB LEU C 64 9.212 -1.285 0.791 1.00 0.00 C ATOM 979 CG LEU C 64 8.718 -0.192 -0.159 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.198 -0.106 -0.129 1.00 0.00 C ATOM 981 CD2 LEU C 64 9.339 1.150 0.204 1.00 0.00 C ATOM 0 H LEU C 64 8.373 -4.108 1.233 1.00 0.00 H new ATOM 0 HA LEU C 64 9.527 -2.528 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU C 64 8.493 -1.391 1.603 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.151 -0.959 1.238 1.00 0.00 H new ATOM 0 HG LEU C 64 9.026 -0.450 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU C 64 6.864 0.677 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU C 64 6.773 -1.061 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU C 64 6.867 0.128 0.883 1.00 0.00 H new ATOM 0 HD21 LEU C 64 8.977 1.916 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU C 64 9.061 1.415 1.224 1.00 0.00 H new ATOM 0 HD23 LEU C 64 10.424 1.081 0.130 1.00 0.00 H new ATOM 993 N LEU C 65 11.183 -4.327 -0.011 1.00 0.00 N ATOM 994 CA LEU C 65 12.402 -5.047 0.378 1.00 0.00 C ATOM 995 C LEU C 65 12.406 -6.452 -0.221 1.00 0.00 C ATOM 996 O LEU C 65 11.389 -7.145 -0.210 1.00 0.00 O ATOM 997 CB LEU C 65 12.530 -5.135 1.909 1.00 0.00 C ATOM 998 CG LEU C 65 13.609 -6.089 2.442 1.00 0.00 C ATOM 999 CD1 LEU C 65 13.121 -7.529 2.407 1.00 0.00 C ATOM 1000 CD2 LEU C 65 14.904 -5.938 1.653 1.00 0.00 C ATOM 0 H LEU C 65 10.740 -4.689 -0.855 1.00 0.00 H new ATOM 0 HA LEU C 65 13.255 -4.489 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU C 65 12.734 -4.136 2.294 1.00 0.00 H new ATOM 0 HB3 LEU C 65 11.567 -5.443 2.317 1.00 0.00 H new ATOM 0 HG LEU C 65 13.812 -5.824 3.480 1.00 0.00 H new ATOM 0 HD11 LEU C 65 13.901 -8.187 2.789 1.00 0.00 H new ATOM 0 HD12 LEU C 65 12.229 -7.626 3.026 1.00 0.00 H new ATOM 0 HD13 LEU C 65 12.882 -7.807 1.381 1.00 0.00 H new ATOM 0 HD21 LEU C 65 15.653 -6.624 2.049 1.00 0.00 H new ATOM 0 HD22 LEU C 65 14.720 -6.168 0.604 1.00 0.00 H new ATOM 0 HD23 LEU C 65 15.267 -4.914 1.741 1.00 0.00 H new ATOM 1012 N LYS C 66 13.559 -6.868 -0.736 1.00 0.00 N ATOM 1013 CA LYS C 66 13.698 -8.194 -1.330 1.00 0.00 C ATOM 1014 C LYS C 66 15.151 -8.654 -1.297 1.00 0.00 C ATOM 1015 O LYS C 66 16.046 -7.799 -1.472 1.00 0.00 O ATOM 1016 CB LYS C 66 13.185 -8.189 -2.770 1.00 0.00 C ATOM 1017 CG LYS C 66 12.753 -9.560 -3.263 1.00 0.00 C ATOM 1018 CD LYS C 66 11.544 -10.074 -2.497 1.00 0.00 C ATOM 1019 CE LYS C 66 11.930 -11.164 -1.511 1.00 0.00 C ATOM 1020 NZ LYS C 66 12.301 -12.431 -2.199 1.00 0.00 N ATOM 1021 OXT LYS C 66 15.384 -9.865 -1.095 1.00 0.00 O ATOM 0 H LYS C 66 14.410 -6.307 -0.754 1.00 0.00 H new ATOM 0 HA LYS C 66 13.101 -8.892 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS C 66 12.342 -7.502 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS C 66 13.967 -7.806 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS C 66 12.516 -9.507 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS C 66 13.579 -10.263 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS C 66 11.073 -9.249 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS C 66 10.806 -10.462 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS C 66 12.768 -10.823 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS C 66 11.098 -11.350 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 12.310 -13.210 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 11.607 -12.637 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 13.246 -12.332 -2.622 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 16.053 0.977 7.388 1.00 0.00 N ATOM 1037 CA SER D 67 16.204 2.442 7.193 1.00 0.00 C ATOM 1038 C SER D 67 15.018 3.203 7.778 1.00 0.00 C ATOM 1039 O SER D 67 14.257 2.662 8.581 1.00 0.00 O ATOM 1040 CB SER D 67 16.329 2.722 5.693 1.00 0.00 C ATOM 1041 OG SER D 67 17.329 3.694 5.439 1.00 0.00 O ATOM 0 HA SER D 67 17.098 2.783 7.715 1.00 0.00 H new ATOM 0 HB2 SER D 67 16.572 1.799 5.166 1.00 0.00 H new ATOM 0 HB3 SER D 67 15.372 3.069 5.303 1.00 0.00 H new ATOM 0 HG SER D 67 17.391 3.855 4.474 1.00 0.00 H new ATOM 1049 N ASN D 68 14.865 4.459 7.371 1.00 0.00 N ATOM 1050 CA ASN D 68 13.771 5.295 7.856 1.00 0.00 C ATOM 1051 C ASN D 68 12.419 4.643 7.580 1.00 0.00 C ATOM 1052 O ASN D 68 12.135 4.228 6.456 1.00 0.00 O ATOM 1053 CB ASN D 68 13.828 6.674 7.197 1.00 0.00 C ATOM 1054 CG ASN D 68 15.159 7.367 7.420 1.00 0.00 C ATOM 1055 OD1 ASN D 68 15.629 7.360 8.663 1.00 0.00 O flip ATOM 1056 ND2 ASN D 68 15.758 7.902 6.488 1.00 0.00 N flip ATOM 0 H ASN D 68 15.485 4.921 6.706 1.00 0.00 H new ATOM 0 HA ASN D 68 13.884 5.407 8.934 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.651 6.570 6.127 1.00 0.00 H new ATOM 0 HB3 ASN D 68 13.026 7.297 7.594 1.00 0.00 H new ATOM 0 HD21 ASN D 68 15.361 7.884 5.549 1.00 0.00 H new ATOM 0 HD22 ASN D 68 16.652 8.364 6.655 1.00 0.00 H new ATOM 1063 N PHE D 69 11.590 4.555 8.615 1.00 0.00 N ATOM 1064 CA PHE D 69 10.268 3.952 8.489 1.00 0.00 C ATOM 1065 C PHE D 69 9.195 4.862 9.082 1.00 0.00 C ATOM 1066 O PHE D 69 9.396 5.475 10.131 1.00 0.00 O ATOM 1067 CB PHE D 69 10.247 2.584 9.182 1.00 0.00 C ATOM 1068 CG PHE D 69 8.866 2.027 9.399 1.00 0.00 C ATOM 1069 CD1 PHE D 69 8.156 2.331 10.549 1.00 0.00 C ATOM 1070 CD2 PHE D 69 8.279 1.202 8.453 1.00 0.00 C ATOM 1071 CE1 PHE D 69 6.887 1.823 10.753 1.00 0.00 C ATOM 1072 CE2 PHE D 69 7.010 0.691 8.650 1.00 0.00 C ATOM 1073 CZ PHE D 69 6.314 1.002 9.802 1.00 0.00 C ATOM 0 H PHE D 69 11.811 4.894 9.551 1.00 0.00 H new ATOM 0 HA PHE D 69 10.051 3.818 7.429 1.00 0.00 H new ATOM 0 HB2 PHE D 69 10.823 1.877 8.585 1.00 0.00 H new ATOM 0 HB3 PHE D 69 10.749 2.669 10.146 1.00 0.00 H new ATOM 0 HD1 PHE D 69 8.600 2.973 11.296 1.00 0.00 H new ATOM 0 HD2 PHE D 69 8.819 0.955 7.551 1.00 0.00 H new ATOM 0 HE1 PHE D 69 6.345 2.068 11.654 1.00 0.00 H new ATOM 0 HE2 PHE D 69 6.563 0.050 7.905 1.00 0.00 H new ATOM 0 HZ PHE D 69 5.323 0.603 9.959 1.00 0.00 H new ATOM 1083 N LEU D 70 8.054 4.941 8.405 1.00 0.00 N ATOM 1084 CA LEU D 70 6.944 5.770 8.861 1.00 0.00 C ATOM 1085 C LEU D 70 5.626 5.281 8.270 1.00 0.00 C ATOM 1086 O LEU D 70 5.271 5.631 7.145 1.00 0.00 O ATOM 1087 CB LEU D 70 7.177 7.233 8.478 1.00 0.00 C ATOM 1088 CG LEU D 70 6.436 8.253 9.341 1.00 0.00 C ATOM 1089 CD1 LEU D 70 6.792 8.069 10.808 1.00 0.00 C ATOM 1090 CD2 LEU D 70 6.756 9.669 8.886 1.00 0.00 C ATOM 0 H LEU D 70 7.874 4.439 7.536 1.00 0.00 H new ATOM 0 HA LEU D 70 6.888 5.693 9.947 1.00 0.00 H new ATOM 0 HB2 LEU D 70 8.246 7.441 8.533 1.00 0.00 H new ATOM 0 HB3 LEU D 70 6.878 7.373 7.439 1.00 0.00 H new ATOM 0 HG LEU D 70 5.365 8.089 9.225 1.00 0.00 H new ATOM 0 HD11 LEU D 70 6.255 8.804 11.408 1.00 0.00 H new ATOM 0 HD12 LEU D 70 6.511 7.065 11.127 1.00 0.00 H new ATOM 0 HD13 LEU D 70 7.865 8.206 10.942 1.00 0.00 H new ATOM 0 HD21 LEU D 70 6.220 10.382 9.512 1.00 0.00 H new ATOM 0 HD22 LEU D 70 7.828 9.845 8.972 1.00 0.00 H new ATOM 0 HD23 LEU D 70 6.450 9.795 7.848 1.00 0.00 H new ATOM 1102 N ASN D 71 4.906 4.466 9.035 1.00 0.00 N ATOM 1103 CA ASN D 71 3.629 3.924 8.583 1.00 0.00 C ATOM 1104 C ASN D 71 2.466 4.551 9.345 1.00 0.00 C ATOM 1105 O ASN D 71 2.404 4.481 10.572 1.00 0.00 O ATOM 1106 CB ASN D 71 3.608 2.404 8.760 1.00 0.00 C ATOM 1107 CG ASN D 71 2.362 1.770 8.173 1.00 0.00 C ATOM 1108 OD1 ASN D 71 1.299 2.390 8.126 1.00 0.00 O ATOM 1109 ND2 ASN D 71 2.489 0.528 7.721 1.00 0.00 N ATOM 0 H ASN D 71 5.185 4.167 9.969 1.00 0.00 H new ATOM 0 HA ASN D 71 3.516 4.165 7.526 1.00 0.00 H new ATOM 0 HB2 ASN D 71 4.489 1.974 8.285 1.00 0.00 H new ATOM 0 HB3 ASN D 71 3.669 2.164 9.821 1.00 0.00 H new ATOM 0 HD21 ASN D 71 1.686 0.049 7.314 1.00 0.00 H new ATOM 0 HD22 ASN D 71 3.390 0.053 7.781 1.00 0.00 H new ATOM 1116 N CYS D 72 1.544 5.161 8.607 1.00 0.00 N ATOM 1117 CA CYS D 72 0.379 5.798 9.210 1.00 0.00 C ATOM 1118 C CYS D 72 -0.813 4.845 9.212 1.00 0.00 C ATOM 1119 O CYS D 72 -1.837 5.111 8.581 1.00 0.00 O ATOM 1120 CB CYS D 72 0.025 7.082 8.457 1.00 0.00 C ATOM 1121 SG CYS D 72 0.736 8.581 9.177 1.00 0.00 S ATOM 0 H CYS D 72 1.581 5.228 7.590 1.00 0.00 H new ATOM 0 HA CYS D 72 0.623 6.051 10.242 1.00 0.00 H new ATOM 0 HB2 CYS D 72 0.365 6.991 7.425 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -1.060 7.185 8.427 1.00 0.00 H new ATOM 0 HG CYS D 72 0.382 9.612 8.469 1.00 0.00 H new ATOM 1127 N TYR D 73 -0.667 3.733 9.926 1.00 0.00 N ATOM 1128 CA TYR D 73 -1.729 2.732 10.013 1.00 0.00 C ATOM 1129 C TYR D 73 -2.877 3.223 10.891 1.00 0.00 C ATOM 1130 O TYR D 73 -3.065 2.748 12.011 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.187 1.401 10.554 1.00 0.00 C ATOM 1132 CG TYR D 73 -0.061 1.544 11.557 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -0.128 2.480 12.584 1.00 0.00 C ATOM 1134 CD2 TYR D 73 1.070 0.741 11.475 1.00 0.00 C ATOM 1135 CE1 TYR D 73 0.901 2.609 13.498 1.00 0.00 C ATOM 1136 CE2 TYR D 73 2.101 0.864 12.388 1.00 0.00 C ATOM 1137 CZ TYR D 73 2.012 1.799 13.396 1.00 0.00 C ATOM 1138 OH TYR D 73 3.036 1.925 14.306 1.00 0.00 O ATOM 0 H TYR D 73 0.175 3.501 10.453 1.00 0.00 H new ATOM 0 HA TYR D 73 -2.109 2.570 9.004 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -2.005 0.853 11.021 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -0.836 0.798 9.716 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -0.997 3.116 12.668 1.00 0.00 H new ATOM 0 HD2 TYR D 73 1.145 0.009 10.685 1.00 0.00 H new ATOM 0 HE1 TYR D 73 0.835 3.341 14.289 1.00 0.00 H new ATOM 0 HE2 TYR D 73 2.972 0.230 12.311 1.00 0.00 H new ATOM 0 HH TYR D 73 3.743 1.280 14.094 1.00 0.00 H new ATOM 1148 N VAL D 74 -3.648 4.172 10.369 1.00 0.00 N ATOM 1149 CA VAL D 74 -4.782 4.725 11.100 1.00 0.00 C ATOM 1150 C VAL D 74 -6.090 4.084 10.649 1.00 0.00 C ATOM 1151 O VAL D 74 -6.672 4.482 9.638 1.00 0.00 O ATOM 1152 CB VAL D 74 -4.881 6.251 10.913 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -5.937 6.837 11.838 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -3.529 6.906 11.154 1.00 0.00 C ATOM 0 H VAL D 74 -3.508 4.574 9.442 1.00 0.00 H new ATOM 0 HA VAL D 74 -4.616 4.506 12.155 1.00 0.00 H new ATOM 0 HB VAL D 74 -5.181 6.453 9.885 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -5.992 7.916 11.691 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -6.906 6.391 11.613 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -5.671 6.625 12.874 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -3.617 7.984 11.018 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -3.198 6.695 12.171 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -2.801 6.509 10.446 1.00 0.00 H new ATOM 1164 N SER D 75 -6.549 3.090 11.404 1.00 0.00 N ATOM 1165 CA SER D 75 -7.788 2.393 11.081 1.00 0.00 C ATOM 1166 C SER D 75 -8.151 1.392 12.174 1.00 0.00 C ATOM 1167 O SER D 75 -9.040 1.642 12.988 1.00 0.00 O ATOM 1168 CB SER D 75 -7.657 1.673 9.737 1.00 0.00 C ATOM 1169 OG SER D 75 -6.614 0.715 9.770 1.00 0.00 O ATOM 0 H SER D 75 -6.081 2.750 12.244 1.00 0.00 H new ATOM 0 HA SER D 75 -8.585 3.134 11.013 1.00 0.00 H new ATOM 0 HB2 SER D 75 -8.598 1.182 9.491 1.00 0.00 H new ATOM 0 HB3 SER D 75 -7.462 2.400 8.949 1.00 0.00 H new ATOM 0 HG SER D 75 -6.187 0.666 8.889 1.00 0.00 H new ATOM 1175 N GLY D 76 -7.457 0.258 12.186 1.00 0.00 N ATOM 1176 CA GLY D 76 -7.721 -0.764 13.182 1.00 0.00 C ATOM 1177 C GLY D 76 -7.322 -2.148 12.711 1.00 0.00 C ATOM 1178 O GLY D 76 -6.897 -2.984 13.509 1.00 0.00 O ATOM 0 H GLY D 76 -6.716 0.029 11.523 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -7.179 -0.524 14.097 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -8.782 -0.760 13.430 1.00 0.00 H new ATOM 1182 N PHE D 77 -7.460 -2.392 11.412 1.00 0.00 N ATOM 1183 CA PHE D 77 -7.111 -3.683 10.832 1.00 0.00 C ATOM 1184 C PHE D 77 -7.984 -4.795 11.406 1.00 0.00 C ATOM 1185 O PHE D 77 -7.782 -5.232 12.539 1.00 0.00 O ATOM 1186 CB PHE D 77 -5.634 -3.999 11.084 1.00 0.00 C ATOM 1187 CG PHE D 77 -4.691 -2.983 10.502 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -4.928 -2.429 9.254 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -3.565 -2.584 11.206 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -4.061 -1.496 8.718 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -2.695 -1.651 10.674 1.00 0.00 C ATOM 1192 CZ PHE D 77 -2.943 -1.107 9.430 1.00 0.00 C ATOM 0 H PHE D 77 -7.812 -1.710 10.740 1.00 0.00 H new ATOM 0 HA PHE D 77 -7.286 -3.626 9.758 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -5.464 -4.066 12.159 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -5.404 -4.978 10.663 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -5.801 -2.730 8.694 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -3.366 -3.006 12.180 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -4.257 -1.072 7.744 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -1.821 -1.348 11.232 1.00 0.00 H new ATOM 0 HZ PHE D 77 -2.264 -0.378 9.014 1.00 0.00 H new ATOM 1202 N HIS D 78 -8.950 -5.251 10.616 1.00 0.00 N ATOM 1203 CA HIS D 78 -9.850 -6.316 11.046 1.00 0.00 C ATOM 1204 C HIS D 78 -10.764 -6.755 9.901 1.00 0.00 C ATOM 1205 O HIS D 78 -10.699 -7.898 9.451 1.00 0.00 O ATOM 1206 CB HIS D 78 -10.690 -5.857 12.241 1.00 0.00 C ATOM 1207 CG HIS D 78 -10.108 -6.238 13.566 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -9.429 -7.420 13.780 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -10.107 -5.587 14.754 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -9.036 -7.478 15.041 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -9.435 -6.377 15.652 1.00 0.00 N ATOM 0 H HIS D 78 -9.130 -4.900 9.675 1.00 0.00 H new ATOM 0 HA HIS D 78 -9.242 -7.169 11.348 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -10.801 -4.773 12.201 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -11.690 -6.284 12.157 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -10.553 -4.624 14.957 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -8.483 -8.287 15.494 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -9.270 -6.151 16.633 1.00 0.00 H new ATOM 1220 N PRO D 79 -11.636 -5.851 9.417 1.00 0.00 N ATOM 1221 CA PRO D 79 -12.564 -6.162 8.326 1.00 0.00 C ATOM 1222 C PRO D 79 -11.852 -6.409 6.996 1.00 0.00 C ATOM 1223 O PRO D 79 -11.725 -7.551 6.556 1.00 0.00 O ATOM 1224 CB PRO D 79 -13.457 -4.919 8.240 1.00 0.00 C ATOM 1225 CG PRO D 79 -12.668 -3.821 8.870 1.00 0.00 C ATOM 1226 CD PRO D 79 -11.786 -4.466 9.902 1.00 0.00 C ATOM 0 HA PRO D 79 -13.115 -7.082 8.520 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -13.703 -4.682 7.205 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -14.400 -5.076 8.764 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -12.072 -3.295 8.124 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -13.327 -3.084 9.329 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -10.823 -3.962 9.977 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -12.240 -4.435 10.892 1.00 0.00 H new ATOM 1234 N SER D 80 -11.395 -5.335 6.358 1.00 0.00 N ATOM 1235 CA SER D 80 -10.704 -5.440 5.077 1.00 0.00 C ATOM 1236 C SER D 80 -9.461 -6.316 5.192 1.00 0.00 C ATOM 1237 O SER D 80 -9.159 -6.848 6.260 1.00 0.00 O ATOM 1238 CB SER D 80 -10.313 -4.050 4.574 1.00 0.00 C ATOM 1239 OG SER D 80 -9.584 -3.340 5.560 1.00 0.00 O ATOM 0 H SER D 80 -11.491 -4.382 6.708 1.00 0.00 H new ATOM 0 HA SER D 80 -11.386 -5.904 4.364 1.00 0.00 H new ATOM 0 HB2 SER D 80 -9.713 -4.142 3.669 1.00 0.00 H new ATOM 0 HB3 SER D 80 -11.209 -3.491 4.306 1.00 0.00 H new ATOM 0 HG SER D 80 -9.149 -2.563 5.150 1.00 0.00 H new ATOM 1245 N ASP D 81 -8.742 -6.459 4.083 1.00 0.00 N ATOM 1246 CA ASP D 81 -7.528 -7.265 4.057 1.00 0.00 C ATOM 1247 C ASP D 81 -6.334 -6.432 3.606 1.00 0.00 C ATOM 1248 O ASP D 81 -6.225 -6.066 2.435 1.00 0.00 O ATOM 1249 CB ASP D 81 -7.708 -8.470 3.130 1.00 0.00 C ATOM 1250 CG ASP D 81 -7.389 -9.782 3.818 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -6.196 -10.151 3.869 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -8.330 -10.440 4.308 1.00 0.00 O ATOM 0 H ASP D 81 -8.980 -6.027 3.190 1.00 0.00 H new ATOM 0 HA ASP D 81 -7.337 -7.623 5.069 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -8.735 -8.494 2.766 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -7.064 -8.354 2.259 1.00 0.00 H new ATOM 1257 N ILE D 82 -5.441 -6.132 4.541 1.00 0.00 N ATOM 1258 CA ILE D 82 -4.256 -5.339 4.238 1.00 0.00 C ATOM 1259 C ILE D 82 -3.039 -5.854 4.996 1.00 0.00 C ATOM 1260 O ILE D 82 -3.169 -6.582 5.980 1.00 0.00 O ATOM 1261 CB ILE D 82 -4.471 -3.851 4.579 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -4.760 -3.677 6.074 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -5.600 -3.272 3.739 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -6.099 -4.238 6.507 1.00 0.00 C ATOM 0 H ILE D 82 -5.515 -6.426 5.515 1.00 0.00 H new ATOM 0 HA ILE D 82 -4.079 -5.435 3.167 1.00 0.00 H new ATOM 0 HB ILE D 82 -3.556 -3.306 4.345 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -3.970 -4.164 6.646 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -4.724 -2.616 6.320 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -5.739 -2.221 3.992 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.350 -3.361 2.682 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.521 -3.819 3.941 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -6.232 -4.078 7.577 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -6.898 -3.734 5.963 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -6.132 -5.306 6.294 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.856 -5.473 4.528 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.612 -5.896 5.159 1.00 0.00 C ATOM 1278 C GLU D 83 0.572 -5.111 4.603 1.00 0.00 C ATOM 1279 O GLU D 83 0.778 -5.054 3.391 1.00 0.00 O ATOM 1280 CB GLU D 83 -0.394 -7.396 4.946 1.00 0.00 C ATOM 1281 CG GLU D 83 0.756 -7.966 5.761 1.00 0.00 C ATOM 1282 CD GLU D 83 1.018 -9.428 5.454 1.00 0.00 C ATOM 1283 OE1 GLU D 83 0.989 -9.798 4.261 1.00 0.00 O ATOM 1284 OE2 GLU D 83 1.251 -10.202 6.405 1.00 0.00 O ATOM 0 H GLU D 83 -1.732 -4.872 3.713 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.686 -5.696 6.228 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -1.310 -7.928 5.204 1.00 0.00 H new ATOM 0 HB3 GLU D 83 -0.205 -7.581 3.888 1.00 0.00 H new ATOM 0 HG2 GLU D 83 1.659 -7.389 5.562 1.00 0.00 H new ATOM 0 HG3 GLU D 83 0.535 -7.855 6.822 1.00 0.00 H new ATOM 1291 N VAL D 84 1.346 -4.503 5.498 1.00 0.00 N ATOM 1292 CA VAL D 84 2.507 -3.720 5.095 1.00 0.00 C ATOM 1293 C VAL D 84 3.805 -4.400 5.518 1.00 0.00 C ATOM 1294 O VAL D 84 3.982 -4.752 6.684 1.00 0.00 O ATOM 1295 CB VAL D 84 2.465 -2.302 5.697 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.573 -1.439 5.111 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.104 -1.664 5.465 1.00 0.00 C ATOM 0 H VAL D 84 1.189 -4.538 6.505 1.00 0.00 H new ATOM 0 HA VAL D 84 2.476 -3.647 4.008 1.00 0.00 H new ATOM 0 HB VAL D 84 2.627 -2.379 6.772 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.527 -0.442 5.548 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.541 -1.889 5.334 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.446 -1.368 4.031 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.093 -0.663 5.897 1.00 0.00 H new ATOM 0 HG22 VAL D 84 0.910 -1.599 4.394 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.332 -2.272 5.937 1.00 0.00 H new ATOM 1307 N ASP D 85 4.710 -4.580 4.561 1.00 0.00 N ATOM 1308 CA ASP D 85 5.994 -5.217 4.831 1.00 0.00 C ATOM 1309 C ASP D 85 7.117 -4.507 4.081 1.00 0.00 C ATOM 1310 O ASP D 85 7.316 -4.727 2.887 1.00 0.00 O ATOM 1311 CB ASP D 85 5.948 -6.693 4.429 1.00 0.00 C ATOM 1312 CG ASP D 85 7.232 -7.425 4.769 1.00 0.00 C ATOM 1313 OD1 ASP D 85 8.253 -7.177 4.095 1.00 0.00 O ATOM 1314 OD2 ASP D 85 7.215 -8.248 5.708 1.00 0.00 O ATOM 0 H ASP D 85 4.578 -4.293 3.591 1.00 0.00 H new ATOM 0 HA ASP D 85 6.192 -5.146 5.900 1.00 0.00 H new ATOM 0 HB2 ASP D 85 5.112 -7.178 4.933 1.00 0.00 H new ATOM 0 HB3 ASP D 85 5.762 -6.769 3.358 1.00 0.00 H new ATOM 1319 N LEU D 86 7.848 -3.654 4.790 1.00 0.00 N ATOM 1320 CA LEU D 86 8.951 -2.910 4.192 1.00 0.00 C ATOM 1321 C LEU D 86 10.293 -3.516 4.587 1.00 0.00 C ATOM 1322 O LEU D 86 10.351 -4.612 5.146 1.00 0.00 O ATOM 1323 CB LEU D 86 8.901 -1.439 4.621 1.00 0.00 C ATOM 1324 CG LEU D 86 7.511 -0.791 4.629 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.773 -1.062 3.327 1.00 0.00 C ATOM 1326 CD2 LEU D 86 6.698 -1.282 5.816 1.00 0.00 C ATOM 0 H LEU D 86 7.697 -3.460 5.780 1.00 0.00 H new ATOM 0 HA LEU D 86 8.847 -2.969 3.109 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.324 -1.358 5.622 1.00 0.00 H new ATOM 0 HB3 LEU D 86 9.545 -0.864 3.955 1.00 0.00 H new ATOM 0 HG LEU D 86 7.644 0.287 4.723 1.00 0.00 H new ATOM 0 HD11 LEU D 86 5.791 -0.591 3.361 1.00 0.00 H new ATOM 0 HD12 LEU D 86 7.343 -0.652 2.493 1.00 0.00 H new ATOM 0 HD13 LEU D 86 6.655 -2.137 3.193 1.00 0.00 H new ATOM 0 HD21 LEU D 86 5.715 -0.811 5.804 1.00 0.00 H new ATOM 0 HD22 LEU D 86 6.582 -2.364 5.755 1.00 0.00 H new ATOM 0 HD23 LEU D 86 7.213 -1.024 6.741 1.00 0.00 H new ATOM 1338 N LEU D 87 11.371 -2.795 4.292 1.00 0.00 N ATOM 1339 CA LEU D 87 12.718 -3.256 4.616 1.00 0.00 C ATOM 1340 C LEU D 87 12.941 -3.294 6.128 1.00 0.00 C ATOM 1341 O LEU D 87 13.749 -2.539 6.668 1.00 0.00 O ATOM 1342 CB LEU D 87 13.782 -2.366 3.952 1.00 0.00 C ATOM 1343 CG LEU D 87 13.533 -0.847 3.977 1.00 0.00 C ATOM 1344 CD1 LEU D 87 12.717 -0.412 2.766 1.00 0.00 C ATOM 1345 CD2 LEU D 87 12.851 -0.407 5.269 1.00 0.00 C ATOM 0 H LEU D 87 11.338 -1.887 3.828 1.00 0.00 H new ATOM 0 HA LEU D 87 12.817 -4.269 4.225 1.00 0.00 H new ATOM 0 HB2 LEU D 87 14.738 -2.561 4.437 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.883 -2.676 2.912 1.00 0.00 H new ATOM 0 HG LEU D 87 14.506 -0.358 3.935 1.00 0.00 H new ATOM 0 HD11 LEU D 87 12.554 0.665 2.805 1.00 0.00 H new ATOM 0 HD12 LEU D 87 13.257 -0.664 1.854 1.00 0.00 H new ATOM 0 HD13 LEU D 87 11.755 -0.925 2.772 1.00 0.00 H new ATOM 0 HD21 LEU D 87 12.693 0.671 5.248 1.00 0.00 H new ATOM 0 HD22 LEU D 87 11.890 -0.913 5.364 1.00 0.00 H new ATOM 0 HD23 LEU D 87 13.482 -0.664 6.120 1.00 0.00 H new ATOM 1357 N LYS D 88 12.223 -4.186 6.805 1.00 0.00 N ATOM 1358 CA LYS D 88 12.345 -4.328 8.253 1.00 0.00 C ATOM 1359 C LYS D 88 11.928 -3.045 8.964 1.00 0.00 C ATOM 1360 O LYS D 88 12.347 -2.849 10.124 1.00 0.00 O ATOM 1361 CB LYS D 88 13.783 -4.689 8.635 1.00 0.00 C ATOM 1362 CG LYS D 88 14.255 -6.008 8.044 1.00 0.00 C ATOM 1363 CD LYS D 88 13.589 -7.192 8.724 1.00 0.00 C ATOM 1364 CE LYS D 88 14.064 -7.351 10.159 1.00 0.00 C ATOM 1365 NZ LYS D 88 13.163 -6.659 11.123 1.00 0.00 N ATOM 1366 OXT LYS D 88 11.184 -2.247 8.355 1.00 0.00 O ATOM 0 H LYS D 88 11.551 -4.821 6.374 1.00 0.00 H new ATOM 0 HA LYS D 88 11.679 -5.131 8.569 1.00 0.00 H new ATOM 0 HB2 LYS D 88 14.449 -3.893 8.304 1.00 0.00 H new ATOM 0 HB3 LYS D 88 13.860 -4.738 9.721 1.00 0.00 H new ATOM 0 HG2 LYS D 88 14.035 -6.029 6.977 1.00 0.00 H new ATOM 0 HG3 LYS D 88 15.337 -6.088 8.148 1.00 0.00 H new ATOM 0 HD2 LYS D 88 12.507 -7.059 8.711 1.00 0.00 H new ATOM 0 HD3 LYS D 88 13.805 -8.103 8.165 1.00 0.00 H new ATOM 0 HE2 LYS D 88 14.117 -8.411 10.408 1.00 0.00 H new ATOM 0 HE3 LYS D 88 15.073 -6.950 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 13.725 -6.035 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 12.464 -6.093 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 12.670 -7.365 11.706 1.00 0.00 H new TER 1380 LYS D 88