USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 876 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 59 LYS NZ :NH3+ -126:sc= -1.23 (180deg=-4.02!) USER MOD Set 1.2: A 65 TYR OH : rot 15:sc= -0.652 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -92:sc=-0.00522 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.0223 (180deg=-0.644) USER MOD Single : A 15 CYS SG : rot 69:sc= -1.36! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= 0 (180deg=-0.648) USER MOD Single : A 20 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 22 MET CE :methyl -120:sc= -2.28 (180deg=-5.83!) USER MOD Single : A 24 THR OG1 : rot -1:sc= 1.15 USER MOD Single : A 25 HIS : no HD1:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 36 ASN :FLIP amide:sc= -3.16! C(o=-7.2!,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0496 (180deg=-0.377) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -2.09! (180deg=-5.53!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 163:sc= -0.105 (180deg=-0.618) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -28:sc= 0.228 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.35! C(o=-1.9!,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot -34:sc= -0.453 USER MOD Single : A 81 ASN : amide:sc= -1.11 K(o=-1.1,f=-2) USER MOD Single : A 82 CYS SG : rot 180:sc= -3.79! USER MOD Single : A 84 THR OG1 : rot 58:sc= 1.06 USER MOD Single : A 86 ASN : amide:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 90 SER OG : rot -58:sc= 1.37 USER MOD Single : A 97 HIS : no HE2:sc=-0.00808 K(o=-0.0081,f=-2.1!) USER MOD Single : A 98 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.6!) USER MOD Single : A 99 MET CE :methyl 143:sc= -1.23 (180deg=-4.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 176:sc=-0.00309 (180deg=-0.0388) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 110 THR OG1 : rot 70:sc= -0.0398 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.420 31.350 2.916 1.00 0.00 N ATOM 2 CA GLY A 1 -13.129 30.976 3.464 1.00 0.00 C ATOM 3 C GLY A 1 -12.484 29.835 2.702 1.00 0.00 C ATOM 4 O GLY A 1 -12.212 28.777 3.268 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.819 32.133 3.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.303 31.651 1.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.064 30.534 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.466 31.841 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.251 30.688 4.508 1.00 0.00 H new ATOM 8 N SER A 2 -12.241 30.050 1.413 1.00 0.00 N ATOM 9 CA SER A 2 -11.629 29.029 0.570 1.00 0.00 C ATOM 10 C SER A 2 -10.154 28.851 0.917 1.00 0.00 C ATOM 11 O SER A 2 -9.333 29.729 0.653 1.00 0.00 O ATOM 12 CB SER A 2 -11.776 29.400 -0.907 1.00 0.00 C ATOM 13 OG SER A 2 -12.994 28.906 -1.438 1.00 0.00 O ATOM 0 H SER A 2 -12.458 30.922 0.930 1.00 0.00 H new ATOM 0 HA SER A 2 -12.144 28.086 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.740 30.484 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.938 28.993 -1.473 1.00 0.00 H new ATOM 0 HG SER A 2 -13.065 29.158 -2.382 1.00 0.00 H new ATOM 19 N SER A 3 -9.825 27.707 1.509 1.00 0.00 N ATOM 20 CA SER A 3 -8.450 27.414 1.896 1.00 0.00 C ATOM 21 C SER A 3 -7.529 27.427 0.680 1.00 0.00 C ATOM 22 O SER A 3 -7.978 27.611 -0.451 1.00 0.00 O ATOM 23 CB SER A 3 -8.373 26.056 2.595 1.00 0.00 C ATOM 24 OG SER A 3 -9.110 26.062 3.805 1.00 0.00 O ATOM 0 H SER A 3 -10.492 26.968 1.731 1.00 0.00 H new ATOM 0 HA SER A 3 -8.120 28.189 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.760 25.281 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.332 25.808 2.801 1.00 0.00 H new ATOM 0 HG SER A 3 -9.046 25.182 4.231 1.00 0.00 H new ATOM 30 N GLY A 4 -6.237 27.228 0.922 1.00 0.00 N ATOM 31 CA GLY A 4 -5.272 27.220 -0.163 1.00 0.00 C ATOM 32 C GLY A 4 -4.045 26.390 0.159 1.00 0.00 C ATOM 33 O GLY A 4 -3.980 25.209 -0.179 1.00 0.00 O ATOM 0 H GLY A 4 -5.841 27.072 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.746 26.829 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.967 28.243 -0.382 1.00 0.00 H new ATOM 37 N SER A 5 -3.068 27.010 0.814 1.00 0.00 N ATOM 38 CA SER A 5 -1.835 26.322 1.177 1.00 0.00 C ATOM 39 C SER A 5 -2.114 25.189 2.159 1.00 0.00 C ATOM 40 O SER A 5 -2.833 25.367 3.142 1.00 0.00 O ATOM 41 CB SER A 5 -0.837 27.308 1.788 1.00 0.00 C ATOM 42 OG SER A 5 0.409 26.681 2.041 1.00 0.00 O ATOM 0 H SER A 5 -3.107 27.987 1.104 1.00 0.00 H new ATOM 0 HA SER A 5 -1.405 25.896 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.693 28.151 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.241 27.710 2.717 1.00 0.00 H new ATOM 0 HG SER A 5 1.030 27.332 2.430 1.00 0.00 H new ATOM 48 N SER A 6 -1.539 24.022 1.886 1.00 0.00 N ATOM 49 CA SER A 6 -1.727 22.857 2.742 1.00 0.00 C ATOM 50 C SER A 6 -1.076 23.073 4.105 1.00 0.00 C ATOM 51 O SER A 6 -0.149 23.871 4.243 1.00 0.00 O ATOM 52 CB SER A 6 -1.144 21.609 2.078 1.00 0.00 C ATOM 53 OG SER A 6 -1.153 20.506 2.967 1.00 0.00 O ATOM 0 H SER A 6 -0.939 23.858 1.078 1.00 0.00 H new ATOM 0 HA SER A 6 -2.798 22.715 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.721 21.365 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.123 21.810 1.753 1.00 0.00 H new ATOM 0 HG SER A 6 -0.298 20.463 3.444 1.00 0.00 H new ATOM 59 N GLY A 7 -1.569 22.356 5.110 1.00 0.00 N ATOM 60 CA GLY A 7 -1.024 22.483 6.449 1.00 0.00 C ATOM 61 C GLY A 7 0.320 21.797 6.596 1.00 0.00 C ATOM 62 O GLY A 7 0.989 21.510 5.603 1.00 0.00 O ATOM 0 H GLY A 7 -2.336 21.690 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.918 23.539 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.726 22.057 7.166 1.00 0.00 H new ATOM 66 N ASP A 8 0.717 21.536 7.836 1.00 0.00 N ATOM 67 CA ASP A 8 1.990 20.880 8.109 1.00 0.00 C ATOM 68 C ASP A 8 1.776 19.427 8.524 1.00 0.00 C ATOM 69 O ASP A 8 2.260 18.506 7.867 1.00 0.00 O ATOM 70 CB ASP A 8 2.749 21.629 9.206 1.00 0.00 C ATOM 71 CG ASP A 8 2.572 23.132 9.109 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.135 23.736 8.172 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.872 23.704 9.971 1.00 0.00 O ATOM 0 H ASP A 8 0.175 21.769 8.668 1.00 0.00 H new ATOM 0 HA ASP A 8 2.581 20.894 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.403 21.287 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.810 21.386 9.141 1.00 0.00 H new ATOM 78 N SER A 9 1.047 19.231 9.618 1.00 0.00 N ATOM 79 CA SER A 9 0.773 17.891 10.123 1.00 0.00 C ATOM 80 C SER A 9 -0.645 17.455 9.764 1.00 0.00 C ATOM 81 O SER A 9 -0.878 16.305 9.390 1.00 0.00 O ATOM 82 CB SER A 9 0.963 17.846 11.640 1.00 0.00 C ATOM 83 OG SER A 9 2.202 18.421 12.016 1.00 0.00 O ATOM 0 H SER A 9 0.636 19.983 10.171 1.00 0.00 H new ATOM 0 HA SER A 9 1.476 17.202 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.148 18.380 12.128 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.918 16.813 11.985 1.00 0.00 H new ATOM 0 HG SER A 9 2.299 18.382 12.990 1.00 0.00 H new ATOM 89 N LYS A 10 -1.589 18.382 9.879 1.00 0.00 N ATOM 90 CA LYS A 10 -2.984 18.097 9.566 1.00 0.00 C ATOM 91 C LYS A 10 -3.091 17.102 8.414 1.00 0.00 C ATOM 92 O LYS A 10 -3.683 16.032 8.559 1.00 0.00 O ATOM 93 CB LYS A 10 -3.723 19.389 9.207 1.00 0.00 C ATOM 94 CG LYS A 10 -5.216 19.200 9.007 1.00 0.00 C ATOM 95 CD LYS A 10 -5.805 20.296 8.135 1.00 0.00 C ATOM 96 CE LYS A 10 -5.776 19.914 6.664 1.00 0.00 C ATOM 97 NZ LYS A 10 -4.522 20.363 5.998 1.00 0.00 N ATOM 0 H LYS A 10 -1.413 19.338 10.187 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.445 17.655 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.561 20.122 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.292 19.803 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.402 18.229 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.716 19.196 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.833 20.493 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.246 21.220 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.871 18.832 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.634 20.355 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.679 20.431 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.247 21.295 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.763 19.677 6.188 1.00 0.00 H new ATOM 111 N ASP A 11 -2.514 17.460 7.273 1.00 0.00 N ATOM 112 CA ASP A 11 -2.542 16.598 6.098 1.00 0.00 C ATOM 113 C ASP A 11 -2.160 15.167 6.465 1.00 0.00 C ATOM 114 O ASP A 11 -2.844 14.214 6.086 1.00 0.00 O ATOM 115 CB ASP A 11 -1.593 17.132 5.024 1.00 0.00 C ATOM 116 CG ASP A 11 -0.410 17.874 5.613 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.051 17.591 6.776 1.00 0.00 O ATOM 118 OD2 ASP A 11 0.158 18.737 4.913 1.00 0.00 O ATOM 0 H ASP A 11 -2.021 18.342 7.137 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.559 16.595 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.232 16.302 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.141 17.799 4.358 1.00 0.00 H new ATOM 123 N LEU A 12 -1.065 15.023 7.203 1.00 0.00 N ATOM 124 CA LEU A 12 -0.592 13.708 7.620 1.00 0.00 C ATOM 125 C LEU A 12 -1.649 12.987 8.450 1.00 0.00 C ATOM 126 O LEU A 12 -1.876 11.789 8.279 1.00 0.00 O ATOM 127 CB LEU A 12 0.702 13.842 8.426 1.00 0.00 C ATOM 128 CG LEU A 12 1.974 14.096 7.617 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.224 12.955 6.643 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.878 15.422 6.875 1.00 0.00 C ATOM 0 H LEU A 12 -0.488 15.800 7.525 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.396 13.119 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.580 14.658 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.841 12.930 9.007 1.00 0.00 H new ATOM 0 HG LEU A 12 2.816 14.148 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.134 13.153 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.337 12.023 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.381 12.870 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.792 15.587 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.026 15.398 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.748 16.232 7.593 1.00 0.00 H new ATOM 142 N ALA A 13 -2.294 13.724 9.347 1.00 0.00 N ATOM 143 CA ALA A 13 -3.331 13.156 10.200 1.00 0.00 C ATOM 144 C ALA A 13 -4.383 12.426 9.373 1.00 0.00 C ATOM 145 O ALA A 13 -4.752 11.292 9.681 1.00 0.00 O ATOM 146 CB ALA A 13 -3.979 14.247 11.040 1.00 0.00 C ATOM 0 H ALA A 13 -2.117 14.716 9.502 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.863 12.430 10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.751 13.809 11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.223 14.721 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.427 14.993 10.384 1.00 0.00 H new ATOM 152 N LEU A 14 -4.864 13.083 8.324 1.00 0.00 N ATOM 153 CA LEU A 14 -5.876 12.497 7.452 1.00 0.00 C ATOM 154 C LEU A 14 -5.346 11.238 6.773 1.00 0.00 C ATOM 155 O LEU A 14 -5.997 10.192 6.787 1.00 0.00 O ATOM 156 CB LEU A 14 -6.319 13.511 6.396 1.00 0.00 C ATOM 157 CG LEU A 14 -7.106 14.717 6.912 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.263 15.760 5.818 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.467 14.280 7.435 1.00 0.00 C ATOM 0 H LEU A 14 -4.570 14.022 8.056 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.734 12.224 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.433 13.876 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.930 12.993 5.657 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.549 15.166 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.825 16.610 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.279 16.095 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.798 15.324 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.014 15.150 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.031 13.807 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.332 13.570 8.251 1.00 0.00 H new ATOM 171 N CYS A 15 -4.162 11.345 6.181 1.00 0.00 N ATOM 172 CA CYS A 15 -3.543 10.215 5.497 1.00 0.00 C ATOM 173 C CYS A 15 -3.658 8.945 6.334 1.00 0.00 C ATOM 174 O CYS A 15 -3.911 7.862 5.806 1.00 0.00 O ATOM 175 CB CYS A 15 -2.073 10.514 5.201 1.00 0.00 C ATOM 176 SG CYS A 15 -1.801 12.061 4.305 1.00 0.00 S ATOM 0 H CYS A 15 -3.611 12.203 6.161 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.070 10.058 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.524 10.550 6.142 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.656 9.692 4.620 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.075 13.067 5.082 1.00 0.00 H new ATOM 182 N SER A 16 -3.468 9.085 7.642 1.00 0.00 N ATOM 183 CA SER A 16 -3.544 7.948 8.552 1.00 0.00 C ATOM 184 C SER A 16 -4.894 7.245 8.431 1.00 0.00 C ATOM 185 O SER A 16 -4.972 6.018 8.470 1.00 0.00 O ATOM 186 CB SER A 16 -3.322 8.406 9.995 1.00 0.00 C ATOM 187 OG SER A 16 -3.471 7.327 10.901 1.00 0.00 O ATOM 0 H SER A 16 -3.260 9.975 8.095 1.00 0.00 H new ATOM 0 HA SER A 16 -2.760 7.242 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.324 8.834 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.033 9.194 10.243 1.00 0.00 H new ATOM 0 HG SER A 16 -3.323 7.645 11.816 1.00 0.00 H new ATOM 193 N MET A 17 -5.953 8.034 8.286 1.00 0.00 N ATOM 194 CA MET A 17 -7.300 7.489 8.159 1.00 0.00 C ATOM 195 C MET A 17 -7.419 6.622 6.909 1.00 0.00 C ATOM 196 O MET A 17 -7.592 5.406 7.001 1.00 0.00 O ATOM 197 CB MET A 17 -8.329 8.620 8.109 1.00 0.00 C ATOM 198 CG MET A 17 -8.128 9.672 9.188 1.00 0.00 C ATOM 199 SD MET A 17 -9.659 10.521 9.622 1.00 0.00 S ATOM 200 CE MET A 17 -10.186 11.111 8.015 1.00 0.00 C ATOM 0 H MET A 17 -5.905 9.052 8.253 1.00 0.00 H new ATOM 0 HA MET A 17 -7.497 6.867 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.282 9.100 7.132 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.328 8.196 8.208 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.714 9.199 10.079 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.396 10.403 8.846 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.959 11.869 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.335 11.544 7.489 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.585 10.279 7.435 1.00 0.00 H new ATOM 210 N ILE A 18 -7.326 7.254 5.745 1.00 0.00 N ATOM 211 CA ILE A 18 -7.423 6.539 4.478 1.00 0.00 C ATOM 212 C ILE A 18 -6.601 5.254 4.508 1.00 0.00 C ATOM 213 O ILE A 18 -7.115 4.169 4.235 1.00 0.00 O ATOM 214 CB ILE A 18 -6.948 7.411 3.301 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.797 8.681 3.204 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.010 6.625 2.000 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.067 9.850 2.581 1.00 0.00 C ATOM 0 H ILE A 18 -7.184 8.260 5.652 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.475 6.292 4.335 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.912 7.701 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.691 8.467 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.131 8.962 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.671 7.255 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.367 5.748 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.036 6.308 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.729 10.715 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.188 10.091 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.757 9.588 1.570 1.00 0.00 H new ATOM 229 N LEU A 19 -5.322 5.384 4.842 1.00 0.00 N ATOM 230 CA LEU A 19 -4.428 4.233 4.910 1.00 0.00 C ATOM 231 C LEU A 19 -5.067 3.094 5.697 1.00 0.00 C ATOM 232 O LEU A 19 -5.079 1.946 5.250 1.00 0.00 O ATOM 233 CB LEU A 19 -3.099 4.632 5.555 1.00 0.00 C ATOM 234 CG LEU A 19 -2.044 3.530 5.653 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.709 2.987 4.272 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.791 4.052 6.341 1.00 0.00 C ATOM 0 H LEU A 19 -4.880 6.275 5.070 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.242 3.888 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.677 5.462 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.302 5.003 6.559 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.451 2.715 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.956 2.204 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.609 2.575 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.321 3.793 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.051 3.254 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.381 4.884 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.042 4.392 7.346 1.00 0.00 H new ATOM 248 N THR A 20 -5.599 3.417 6.872 1.00 0.00 N ATOM 249 CA THR A 20 -6.240 2.422 7.721 1.00 0.00 C ATOM 250 C THR A 20 -7.292 1.635 6.948 1.00 0.00 C ATOM 251 O THR A 20 -7.144 0.434 6.728 1.00 0.00 O ATOM 252 CB THR A 20 -6.903 3.074 8.949 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.940 3.851 9.671 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.500 2.017 9.867 1.00 0.00 C ATOM 0 H THR A 20 -5.598 4.362 7.257 1.00 0.00 H new ATOM 0 HA THR A 20 -5.457 1.743 8.058 1.00 0.00 H new ATOM 0 HB THR A 20 -7.705 3.724 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.863 4.738 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.962 2.501 10.727 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.253 1.446 9.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.713 1.345 10.209 1.00 0.00 H new ATOM 262 N GLU A 21 -8.354 2.321 6.537 1.00 0.00 N ATOM 263 CA GLU A 21 -9.431 1.685 5.788 1.00 0.00 C ATOM 264 C GLU A 21 -8.873 0.717 4.749 1.00 0.00 C ATOM 265 O GLU A 21 -9.234 -0.459 4.723 1.00 0.00 O ATOM 266 CB GLU A 21 -10.299 2.742 5.101 1.00 0.00 C ATOM 267 CG GLU A 21 -11.100 3.594 6.071 1.00 0.00 C ATOM 268 CD GLU A 21 -12.211 2.817 6.751 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.898 1.878 7.512 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.393 3.148 6.520 1.00 0.00 O ATOM 0 H GLU A 21 -8.491 3.317 6.710 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.045 1.123 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.661 3.391 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.985 2.247 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.431 4.002 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.529 4.441 5.536 1.00 0.00 H new ATOM 277 N MET A 22 -7.990 1.221 3.893 1.00 0.00 N ATOM 278 CA MET A 22 -7.381 0.402 2.852 1.00 0.00 C ATOM 279 C MET A 22 -6.636 -0.783 3.459 1.00 0.00 C ATOM 280 O MET A 22 -6.688 -1.895 2.934 1.00 0.00 O ATOM 281 CB MET A 22 -6.423 1.242 2.006 1.00 0.00 C ATOM 282 CG MET A 22 -7.126 2.246 1.107 1.00 0.00 C ATOM 283 SD MET A 22 -6.152 2.677 -0.348 1.00 0.00 S ATOM 284 CE MET A 22 -4.677 3.344 0.418 1.00 0.00 C ATOM 0 H MET A 22 -7.680 2.193 3.900 1.00 0.00 H new ATOM 0 HA MET A 22 -8.177 0.020 2.213 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.740 1.775 2.667 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.817 0.577 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.084 1.835 0.789 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.340 3.150 1.677 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.541 4.379 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.780 3.303 1.502 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.811 2.756 0.113 1.00 0.00 H new ATOM 294 N GLU A 23 -5.944 -0.537 4.567 1.00 0.00 N ATOM 295 CA GLU A 23 -5.188 -1.584 5.243 1.00 0.00 C ATOM 296 C GLU A 23 -6.118 -2.679 5.759 1.00 0.00 C ATOM 297 O GLU A 23 -5.682 -3.794 6.048 1.00 0.00 O ATOM 298 CB GLU A 23 -4.383 -0.995 6.404 1.00 0.00 C ATOM 299 CG GLU A 23 -3.095 -0.317 5.968 1.00 0.00 C ATOM 300 CD GLU A 23 -2.167 -0.026 7.132 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.436 -0.527 8.244 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.173 0.702 6.930 1.00 0.00 O ATOM 0 H GLU A 23 -5.891 0.378 5.015 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.501 -2.024 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.003 -0.272 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.144 -1.790 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.580 -0.952 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.334 0.615 5.457 1.00 0.00 H new ATOM 309 N THR A 24 -7.401 -2.353 5.873 1.00 0.00 N ATOM 310 CA THR A 24 -8.393 -3.306 6.355 1.00 0.00 C ATOM 311 C THR A 24 -9.267 -3.814 5.215 1.00 0.00 C ATOM 312 O THR A 24 -10.437 -4.144 5.415 1.00 0.00 O ATOM 313 CB THR A 24 -9.293 -2.681 7.438 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.020 -1.575 6.892 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.465 -2.214 8.626 1.00 0.00 C ATOM 0 H THR A 24 -7.778 -1.435 5.638 1.00 0.00 H new ATOM 0 HA THR A 24 -7.844 -4.142 6.788 1.00 0.00 H new ATOM 0 HB THR A 24 -9.994 -3.442 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.775 -1.455 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.122 -1.776 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.936 -3.064 9.057 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.743 -1.467 8.295 1.00 0.00 H new ATOM 323 N HIS A 25 -8.693 -3.876 4.017 1.00 0.00 N ATOM 324 CA HIS A 25 -9.421 -4.346 2.844 1.00 0.00 C ATOM 325 C HIS A 25 -9.104 -5.811 2.559 1.00 0.00 C ATOM 326 O HIS A 25 -8.032 -6.303 2.910 1.00 0.00 O ATOM 327 CB HIS A 25 -9.074 -3.490 1.625 1.00 0.00 C ATOM 328 CG HIS A 25 -10.189 -3.382 0.632 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.232 -4.115 -0.535 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.308 -2.620 0.637 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.328 -3.809 -1.205 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.999 -2.904 -0.515 1.00 0.00 N ATOM 0 H HIS A 25 -7.726 -3.607 3.834 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.488 -4.257 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.799 -2.490 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.199 -3.913 1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.602 -1.919 1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.625 -4.227 -2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.886 -2.484 -0.793 1.00 0.00 H new ATOM 340 N GLU A 26 -10.044 -6.502 1.921 1.00 0.00 N ATOM 341 CA GLU A 26 -9.864 -7.911 1.590 1.00 0.00 C ATOM 342 C GLU A 26 -8.872 -8.078 0.443 1.00 0.00 C ATOM 343 O GLU A 26 -8.518 -9.198 0.073 1.00 0.00 O ATOM 344 CB GLU A 26 -11.205 -8.545 1.216 1.00 0.00 C ATOM 345 CG GLU A 26 -11.832 -7.950 -0.034 1.00 0.00 C ATOM 346 CD GLU A 26 -13.209 -8.516 -0.321 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.294 -9.692 -0.732 1.00 0.00 O ATOM 348 OE2 GLU A 26 -14.202 -7.781 -0.135 1.00 0.00 O ATOM 0 H GLU A 26 -10.937 -6.109 1.623 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.464 -8.416 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.062 -9.615 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.897 -8.429 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.904 -6.868 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.181 -8.138 -0.888 1.00 0.00 H new ATOM 355 N ASP A 27 -8.428 -6.957 -0.115 1.00 0.00 N ATOM 356 CA ASP A 27 -7.476 -6.979 -1.220 1.00 0.00 C ATOM 357 C ASP A 27 -6.340 -5.990 -0.978 1.00 0.00 C ATOM 358 O ASP A 27 -5.779 -5.431 -1.920 1.00 0.00 O ATOM 359 CB ASP A 27 -8.183 -6.650 -2.536 1.00 0.00 C ATOM 360 CG ASP A 27 -8.760 -7.882 -3.206 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.984 -8.814 -3.505 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.988 -7.914 -3.431 1.00 0.00 O ATOM 0 H ASP A 27 -8.712 -6.022 0.179 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.053 -7.982 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.983 -5.934 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.478 -6.168 -3.213 1.00 0.00 H new ATOM 367 N ALA A 28 -6.007 -5.778 0.291 1.00 0.00 N ATOM 368 CA ALA A 28 -4.938 -4.857 0.657 1.00 0.00 C ATOM 369 C ALA A 28 -3.823 -5.580 1.406 1.00 0.00 C ATOM 370 O ALA A 28 -2.821 -4.973 1.782 1.00 0.00 O ATOM 371 CB ALA A 28 -5.489 -3.716 1.500 1.00 0.00 C ATOM 0 H ALA A 28 -6.462 -6.232 1.083 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.517 -4.446 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.679 -3.036 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.245 -3.175 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.938 -4.118 2.408 1.00 0.00 H new ATOM 377 N TRP A 29 -4.005 -6.878 1.618 1.00 0.00 N ATOM 378 CA TRP A 29 -3.014 -7.683 2.323 1.00 0.00 C ATOM 379 C TRP A 29 -1.816 -7.978 1.427 1.00 0.00 C ATOM 380 O TRP A 29 -0.684 -8.128 1.888 1.00 0.00 O ATOM 381 CB TRP A 29 -3.641 -8.993 2.805 1.00 0.00 C ATOM 382 CG TRP A 29 -4.018 -9.918 1.687 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.281 -10.207 1.255 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.126 -10.675 0.863 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.227 -11.099 0.210 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.916 -11.400 -0.050 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.736 -10.808 0.805 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.361 -12.247 -1.006 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.187 -11.649 -0.144 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.998 -12.359 -1.040 1.00 0.00 C ATOM 0 H TRP A 29 -4.829 -7.396 1.312 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.667 -7.115 3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.940 -9.501 3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.529 -8.767 3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.188 -9.796 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.032 -11.475 -0.290 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.102 -10.263 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.985 -12.796 -1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.114 -11.761 -0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.538 -13.007 -1.771 1.00 0.00 H new ATOM 401 N PRO A 30 -2.065 -8.064 0.113 1.00 0.00 N ATOM 402 CA PRO A 30 -0.937 -8.346 -0.780 1.00 0.00 C ATOM 403 C PRO A 30 0.267 -7.457 -0.491 1.00 0.00 C ATOM 404 O PRO A 30 1.390 -7.766 -0.890 1.00 0.00 O ATOM 405 CB PRO A 30 -1.502 -8.046 -2.171 1.00 0.00 C ATOM 406 CG PRO A 30 -2.971 -8.254 -2.036 1.00 0.00 C ATOM 407 CD PRO A 30 -3.333 -7.918 -0.622 1.00 0.00 C ATOM 0 HA PRO A 30 -0.571 -9.366 -0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.273 -7.026 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.076 -8.710 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.516 -7.619 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.237 -9.285 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.728 -6.905 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.099 -8.590 -0.235 1.00 0.00 H new ATOM 415 N PHE A 31 0.027 -6.351 0.205 1.00 0.00 N ATOM 416 CA PHE A 31 1.092 -5.416 0.547 1.00 0.00 C ATOM 417 C PHE A 31 1.292 -5.348 2.058 1.00 0.00 C ATOM 418 O PHE A 31 2.407 -5.148 2.541 1.00 0.00 O ATOM 419 CB PHE A 31 0.772 -4.023 0.001 1.00 0.00 C ATOM 420 CG PHE A 31 0.021 -4.047 -1.300 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.354 -4.222 -1.317 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.688 -3.894 -2.504 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.047 -4.246 -2.513 1.00 0.00 C ATOM 424 CE2 PHE A 31 0.000 -3.917 -3.702 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.370 -4.092 -3.706 1.00 0.00 C ATOM 0 H PHE A 31 -0.896 -6.080 0.543 1.00 0.00 H new ATOM 0 HA PHE A 31 2.015 -5.774 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.185 -3.478 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.703 -3.473 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.889 -4.341 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.759 -3.755 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.118 -4.385 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.533 -3.798 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.911 -4.108 -4.641 1.00 0.00 H new ATOM 435 N LEU A 32 0.203 -5.514 2.801 1.00 0.00 N ATOM 436 CA LEU A 32 0.256 -5.472 4.258 1.00 0.00 C ATOM 437 C LEU A 32 1.590 -6.007 4.770 1.00 0.00 C ATOM 438 O LEU A 32 2.131 -5.512 5.759 1.00 0.00 O ATOM 439 CB LEU A 32 -0.895 -6.284 4.854 1.00 0.00 C ATOM 440 CG LEU A 32 -2.247 -5.574 4.932 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.310 -6.510 5.485 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.142 -4.319 5.786 1.00 0.00 C ATOM 0 H LEU A 32 -0.728 -5.679 2.418 1.00 0.00 H new ATOM 0 HA LEU A 32 0.158 -4.432 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.017 -7.192 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.612 -6.595 5.860 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.540 -5.280 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.265 -5.987 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.404 -7.379 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.024 -6.836 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.113 -3.827 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.826 -4.590 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.411 -3.640 5.347 1.00 0.00 H new ATOM 454 N LEU A 33 2.115 -7.020 4.089 1.00 0.00 N ATOM 455 CA LEU A 33 3.387 -7.622 4.473 1.00 0.00 C ATOM 456 C LEU A 33 4.474 -7.293 3.455 1.00 0.00 C ATOM 457 O LEU A 33 4.212 -7.121 2.264 1.00 0.00 O ATOM 458 CB LEU A 33 3.237 -9.138 4.605 1.00 0.00 C ATOM 459 CG LEU A 33 2.537 -9.636 5.870 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.284 -11.133 5.786 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.361 -9.300 7.104 1.00 0.00 C ATOM 0 H LEU A 33 1.680 -7.441 3.269 1.00 0.00 H new ATOM 0 HA LEU A 33 3.681 -7.207 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.685 -9.505 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.230 -9.586 4.563 1.00 0.00 H new ATOM 0 HG LEU A 33 1.575 -9.130 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.785 -11.469 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.652 -11.347 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.234 -11.657 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.847 -9.662 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.338 -9.777 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.489 -8.220 7.173 1.00 0.00 H new ATOM 473 N PRO A 34 5.725 -7.206 3.932 1.00 0.00 N ATOM 474 CA PRO A 34 6.878 -6.901 3.079 1.00 0.00 C ATOM 475 C PRO A 34 7.215 -8.045 2.129 1.00 0.00 C ATOM 476 O PRO A 34 6.821 -9.189 2.354 1.00 0.00 O ATOM 477 CB PRO A 34 8.014 -6.686 4.082 1.00 0.00 C ATOM 478 CG PRO A 34 7.611 -7.469 5.283 1.00 0.00 C ATOM 479 CD PRO A 34 6.110 -7.399 5.340 1.00 0.00 C ATOM 0 HA PRO A 34 6.692 -6.042 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.966 -7.035 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.137 -5.630 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.951 -8.502 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.055 -7.053 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.680 -8.312 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.769 -6.575 5.967 1.00 0.00 H new ATOM 487 N VAL A 35 7.947 -7.728 1.065 1.00 0.00 N ATOM 488 CA VAL A 35 8.338 -8.730 0.081 1.00 0.00 C ATOM 489 C VAL A 35 9.819 -9.072 0.204 1.00 0.00 C ATOM 490 O VAL A 35 10.679 -8.202 0.075 1.00 0.00 O ATOM 491 CB VAL A 35 8.051 -8.250 -1.354 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.757 -9.139 -2.366 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.552 -8.218 -1.614 1.00 0.00 C ATOM 0 H VAL A 35 8.281 -6.786 0.863 1.00 0.00 H new ATOM 0 HA VAL A 35 7.744 -9.621 0.284 1.00 0.00 H new ATOM 0 HB VAL A 35 8.438 -7.237 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.542 -8.784 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.832 -9.106 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.403 -10.164 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.367 -7.877 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.139 -9.219 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.075 -7.536 -0.910 1.00 0.00 H new ATOM 503 N ASN A 36 10.108 -10.345 0.453 1.00 0.00 N ATOM 504 CA ASN A 36 11.486 -10.802 0.594 1.00 0.00 C ATOM 505 C ASN A 36 12.179 -10.865 -0.764 1.00 0.00 C ATOM 506 O ASN A 36 11.669 -11.471 -1.707 1.00 0.00 O ATOM 507 CB ASN A 36 11.523 -12.178 1.262 1.00 0.00 C ATOM 508 CG ASN A 36 12.783 -12.389 2.080 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.916 -11.947 1.546 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 12.737 -12.943 3.178 1.00 0.00 N flip ATOM 0 H ASN A 36 9.407 -11.078 0.561 1.00 0.00 H new ATOM 0 HA ASN A 36 12.018 -10.087 1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.651 -12.290 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.455 -12.952 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.844 -13.267 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.592 -13.079 3.717 1.00 0.00 H new ATOM 517 N LEU A 37 13.346 -10.235 -0.856 1.00 0.00 N ATOM 518 CA LEU A 37 14.110 -10.220 -2.099 1.00 0.00 C ATOM 519 C LEU A 37 14.893 -11.518 -2.272 1.00 0.00 C ATOM 520 O LEU A 37 14.927 -12.094 -3.360 1.00 0.00 O ATOM 521 CB LEU A 37 15.068 -9.027 -2.116 1.00 0.00 C ATOM 522 CG LEU A 37 14.518 -7.716 -1.554 1.00 0.00 C ATOM 523 CD1 LEU A 37 15.575 -6.624 -1.614 1.00 0.00 C ATOM 524 CD2 LEU A 37 13.269 -7.293 -2.314 1.00 0.00 C ATOM 0 H LEU A 37 13.783 -9.729 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 37 13.408 -10.127 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.960 -9.295 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.383 -8.854 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 37 14.248 -7.875 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.165 -5.698 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.442 -6.924 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.876 -6.466 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.891 -6.358 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.514 -7.152 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.506 -8.066 -2.220 1.00 0.00 H new ATOM 536 N LYS A 38 15.519 -11.974 -1.193 1.00 0.00 N ATOM 537 CA LYS A 38 16.298 -13.206 -1.224 1.00 0.00 C ATOM 538 C LYS A 38 15.424 -14.393 -1.617 1.00 0.00 C ATOM 539 O LYS A 38 15.845 -15.260 -2.384 1.00 0.00 O ATOM 540 CB LYS A 38 16.940 -13.462 0.141 1.00 0.00 C ATOM 541 CG LYS A 38 16.065 -14.270 1.084 1.00 0.00 C ATOM 542 CD LYS A 38 16.630 -14.286 2.494 1.00 0.00 C ATOM 543 CE LYS A 38 17.695 -15.359 2.655 1.00 0.00 C ATOM 544 NZ LYS A 38 17.118 -16.729 2.581 1.00 0.00 N ATOM 0 H LYS A 38 15.502 -11.509 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 38 17.082 -13.091 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.884 -13.987 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.175 -12.505 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.060 -13.849 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.978 -15.292 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.057 -13.310 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.825 -14.461 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.450 -15.241 1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.200 -15.229 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.759 -17.401 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.194 -16.743 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.998 -17.002 1.585 1.00 0.00 H new ATOM 558 N LEU A 39 14.206 -14.426 -1.088 1.00 0.00 N ATOM 559 CA LEU A 39 13.272 -15.506 -1.385 1.00 0.00 C ATOM 560 C LEU A 39 12.696 -15.357 -2.789 1.00 0.00 C ATOM 561 O LEU A 39 12.865 -16.234 -3.637 1.00 0.00 O ATOM 562 CB LEU A 39 12.140 -15.525 -0.356 1.00 0.00 C ATOM 563 CG LEU A 39 12.567 -15.516 1.112 1.00 0.00 C ATOM 564 CD1 LEU A 39 11.349 -15.496 2.022 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.445 -16.721 1.419 1.00 0.00 C ATOM 0 H LEU A 39 13.842 -13.717 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 39 13.817 -16.449 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.501 -14.660 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.532 -16.412 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 39 13.147 -14.612 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.673 -15.490 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.759 -14.602 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.741 -16.382 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.740 -16.699 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.889 -17.637 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.336 -16.692 0.791 1.00 0.00 H new ATOM 577 N VAL A 40 12.016 -14.240 -3.029 1.00 0.00 N ATOM 578 CA VAL A 40 11.418 -13.974 -4.332 1.00 0.00 C ATOM 579 C VAL A 40 12.484 -13.884 -5.418 1.00 0.00 C ATOM 580 O VAL A 40 13.529 -13.256 -5.246 1.00 0.00 O ATOM 581 CB VAL A 40 10.602 -12.668 -4.318 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.978 -12.414 -5.682 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.534 -12.718 -3.236 1.00 0.00 C ATOM 0 H VAL A 40 11.866 -13.505 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 40 10.751 -14.808 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 40 11.276 -11.842 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.405 -11.487 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.764 -12.331 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.317 -13.241 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.967 -11.787 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.861 -13.554 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.008 -12.849 -2.263 1.00 0.00 H new ATOM 593 N PRO A 41 12.215 -14.525 -6.565 1.00 0.00 N ATOM 594 CA PRO A 41 13.139 -14.532 -7.703 1.00 0.00 C ATOM 595 C PRO A 41 13.239 -13.167 -8.376 1.00 0.00 C ATOM 596 O PRO A 41 12.584 -12.912 -9.385 1.00 0.00 O ATOM 597 CB PRO A 41 12.518 -15.554 -8.658 1.00 0.00 C ATOM 598 CG PRO A 41 11.068 -15.559 -8.317 1.00 0.00 C ATOM 599 CD PRO A 41 10.989 -15.294 -6.839 1.00 0.00 C ATOM 0 HA PRO A 41 14.157 -14.775 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.679 -15.272 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.960 -16.541 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.532 -14.794 -8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.612 -16.517 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.094 -14.729 -6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.959 -16.220 -6.266 1.00 0.00 H new ATOM 607 N GLY A 42 14.065 -12.292 -7.809 1.00 0.00 N ATOM 608 CA GLY A 42 14.235 -10.963 -8.368 1.00 0.00 C ATOM 609 C GLY A 42 12.999 -10.102 -8.203 1.00 0.00 C ATOM 610 O GLY A 42 12.163 -10.025 -9.103 1.00 0.00 O ATOM 0 H GLY A 42 14.619 -12.480 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.081 -10.475 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.477 -11.046 -9.427 1.00 0.00 H new ATOM 614 N TYR A 43 12.883 -9.452 -7.050 1.00 0.00 N ATOM 615 CA TYR A 43 11.738 -8.595 -6.769 1.00 0.00 C ATOM 616 C TYR A 43 12.123 -7.122 -6.868 1.00 0.00 C ATOM 617 O TYR A 43 11.407 -6.319 -7.468 1.00 0.00 O ATOM 618 CB TYR A 43 11.180 -8.895 -5.376 1.00 0.00 C ATOM 619 CG TYR A 43 9.981 -8.050 -5.010 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.750 -8.253 -5.622 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.078 -7.050 -4.050 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.652 -7.483 -5.290 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.985 -6.276 -3.711 1.00 0.00 C ATOM 624 CZ TYR A 43 7.775 -6.496 -4.334 1.00 0.00 C ATOM 625 OH TYR A 43 6.683 -5.727 -4.000 1.00 0.00 O ATOM 0 H TYR A 43 13.568 -9.502 -6.296 1.00 0.00 H new ATOM 0 HA TYR A 43 10.970 -8.802 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.902 -9.948 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.965 -8.736 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.650 -9.026 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.025 -6.875 -3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.703 -7.653 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.078 -5.503 -2.962 1.00 0.00 H new ATOM 0 HH TYR A 43 6.938 -5.079 -3.310 1.00 0.00 H new ATOM 635 N LYS A 44 13.259 -6.773 -6.275 1.00 0.00 N ATOM 636 CA LYS A 44 13.743 -5.398 -6.296 1.00 0.00 C ATOM 637 C LYS A 44 14.048 -4.950 -7.722 1.00 0.00 C ATOM 638 O LYS A 44 13.723 -3.830 -8.115 1.00 0.00 O ATOM 639 CB LYS A 44 14.997 -5.263 -5.429 1.00 0.00 C ATOM 640 CG LYS A 44 15.201 -3.867 -4.866 1.00 0.00 C ATOM 641 CD LYS A 44 16.203 -3.867 -3.724 1.00 0.00 C ATOM 642 CE LYS A 44 16.460 -2.459 -3.208 1.00 0.00 C ATOM 643 NZ LYS A 44 15.366 -1.988 -2.314 1.00 0.00 N ATOM 0 H LYS A 44 13.863 -7.424 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 44 12.959 -4.758 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.936 -5.973 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.869 -5.537 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.549 -3.202 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.248 -3.473 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.830 -4.491 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.141 -4.309 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.406 -2.437 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.560 -1.776 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.578 -1.025 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.467 -1.984 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.287 -2.625 -1.496 1.00 0.00 H new ATOM 657 N LYS A 45 14.673 -5.833 -8.493 1.00 0.00 N ATOM 658 CA LYS A 45 15.020 -5.531 -9.877 1.00 0.00 C ATOM 659 C LYS A 45 13.782 -5.131 -10.673 1.00 0.00 C ATOM 660 O LYS A 45 13.799 -4.149 -11.415 1.00 0.00 O ATOM 661 CB LYS A 45 15.692 -6.740 -10.532 1.00 0.00 C ATOM 662 CG LYS A 45 16.850 -7.303 -9.727 1.00 0.00 C ATOM 663 CD LYS A 45 16.997 -8.801 -9.933 1.00 0.00 C ATOM 664 CE LYS A 45 17.558 -9.482 -8.694 1.00 0.00 C ATOM 665 NZ LYS A 45 16.843 -9.060 -7.458 1.00 0.00 N ATOM 0 H LYS A 45 14.950 -6.764 -8.183 1.00 0.00 H new ATOM 0 HA LYS A 45 15.717 -4.693 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.948 -7.523 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.053 -6.454 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.774 -6.803 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.694 -7.094 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.027 -9.232 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.654 -8.990 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.480 -10.563 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.618 -9.247 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.770 -9.867 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.370 -8.290 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.889 -8.727 -7.705 1.00 0.00 H new ATOM 679 N VAL A 46 12.708 -5.898 -10.513 1.00 0.00 N ATOM 680 CA VAL A 46 11.460 -5.621 -11.215 1.00 0.00 C ATOM 681 C VAL A 46 10.719 -4.450 -10.579 1.00 0.00 C ATOM 682 O VAL A 46 10.070 -3.665 -11.270 1.00 0.00 O ATOM 683 CB VAL A 46 10.537 -6.854 -11.225 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.356 -6.630 -12.157 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.314 -8.098 -11.626 1.00 0.00 C ATOM 0 H VAL A 46 12.677 -6.716 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 46 11.724 -5.365 -12.241 1.00 0.00 H new ATOM 0 HB VAL A 46 10.150 -7.004 -10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.715 -7.512 -12.151 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.786 -5.765 -11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.720 -6.453 -13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.646 -8.959 -11.628 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.731 -7.961 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.122 -8.267 -10.915 1.00 0.00 H new ATOM 695 N ILE A 47 10.822 -4.339 -9.259 1.00 0.00 N ATOM 696 CA ILE A 47 10.163 -3.263 -8.530 1.00 0.00 C ATOM 697 C ILE A 47 11.146 -2.149 -8.187 1.00 0.00 C ATOM 698 O ILE A 47 11.973 -2.290 -7.286 1.00 0.00 O ATOM 699 CB ILE A 47 9.515 -3.778 -7.231 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.514 -4.892 -7.541 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.832 -2.637 -6.491 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.420 -4.473 -8.499 1.00 0.00 C ATOM 0 H ILE A 47 11.355 -4.981 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 47 9.385 -2.869 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 47 10.297 -4.185 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.049 -5.743 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.060 -5.231 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.379 -3.017 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.568 -1.873 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.059 -2.203 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.747 -5.313 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.860 -3.642 -8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.864 -4.162 -9.445 1.00 0.00 H new ATOM 714 N LYS A 48 11.050 -1.039 -8.911 1.00 0.00 N ATOM 715 CA LYS A 48 11.928 0.102 -8.683 1.00 0.00 C ATOM 716 C LYS A 48 11.812 0.600 -7.246 1.00 0.00 C ATOM 717 O LYS A 48 12.812 0.941 -6.613 1.00 0.00 O ATOM 718 CB LYS A 48 11.589 1.235 -9.655 1.00 0.00 C ATOM 719 CG LYS A 48 12.008 0.954 -11.087 1.00 0.00 C ATOM 720 CD LYS A 48 13.468 1.308 -11.320 1.00 0.00 C ATOM 721 CE LYS A 48 13.913 0.939 -12.727 1.00 0.00 C ATOM 722 NZ LYS A 48 13.521 1.975 -13.723 1.00 0.00 N ATOM 0 H LYS A 48 10.372 -0.906 -9.661 1.00 0.00 H new ATOM 0 HA LYS A 48 12.954 -0.222 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.514 1.416 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.074 2.150 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.847 -0.100 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.380 1.526 -11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.615 2.376 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.090 0.788 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.995 0.811 -12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.474 -0.019 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.842 1.686 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.486 2.080 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.960 2.883 -13.470 1.00 0.00 H new ATOM 736 N LYS A 49 10.586 0.637 -6.735 1.00 0.00 N ATOM 737 CA LYS A 49 10.339 1.089 -5.371 1.00 0.00 C ATOM 738 C LYS A 49 9.437 0.110 -4.628 1.00 0.00 C ATOM 739 O LYS A 49 8.215 0.255 -4.596 1.00 0.00 O ATOM 740 CB LYS A 49 9.701 2.480 -5.381 1.00 0.00 C ATOM 741 CG LYS A 49 10.710 3.614 -5.323 1.00 0.00 C ATOM 742 CD LYS A 49 11.014 4.018 -3.890 1.00 0.00 C ATOM 743 CE LYS A 49 10.074 5.113 -3.410 1.00 0.00 C ATOM 744 NZ LYS A 49 10.701 5.960 -2.357 1.00 0.00 N ATOM 0 H LYS A 49 9.748 0.359 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 49 11.296 1.138 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.098 2.587 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.023 2.565 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.631 3.308 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.324 4.474 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.925 3.149 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.045 4.365 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.784 5.738 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.162 4.663 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.029 6.694 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.955 5.368 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.558 6.410 -2.738 1.00 0.00 H new ATOM 758 N PRO A 50 10.051 -0.913 -4.013 1.00 0.00 N ATOM 759 CA PRO A 50 9.322 -1.935 -3.257 1.00 0.00 C ATOM 760 C PRO A 50 8.728 -1.387 -1.964 1.00 0.00 C ATOM 761 O PRO A 50 9.331 -1.499 -0.897 1.00 0.00 O ATOM 762 CB PRO A 50 10.395 -2.982 -2.951 1.00 0.00 C ATOM 763 CG PRO A 50 11.679 -2.228 -2.977 1.00 0.00 C ATOM 764 CD PRO A 50 11.505 -1.148 -4.009 1.00 0.00 C ATOM 0 HA PRO A 50 8.472 -2.326 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.229 -3.447 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.390 -3.782 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.900 -1.801 -1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.511 -2.883 -3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.057 -0.246 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.864 -1.466 -4.988 1.00 0.00 H new ATOM 772 N MET A 51 7.543 -0.794 -2.067 1.00 0.00 N ATOM 773 CA MET A 51 6.868 -0.230 -0.904 1.00 0.00 C ATOM 774 C MET A 51 5.789 -1.178 -0.389 1.00 0.00 C ATOM 775 O MET A 51 5.349 -2.079 -1.103 1.00 0.00 O ATOM 776 CB MET A 51 6.248 1.124 -1.255 1.00 0.00 C ATOM 777 CG MET A 51 5.805 1.923 -0.040 1.00 0.00 C ATOM 778 SD MET A 51 7.171 2.318 1.068 1.00 0.00 S ATOM 779 CE MET A 51 8.205 3.308 -0.008 1.00 0.00 C ATOM 0 H MET A 51 7.031 -0.692 -2.943 1.00 0.00 H new ATOM 0 HA MET A 51 7.609 -0.090 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.972 1.710 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.389 0.963 -1.907 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.332 2.848 -0.371 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.051 1.357 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.920 3.872 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.743 2.656 -0.696 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.582 4.000 -0.575 1.00 0.00 H new ATOM 789 N ASP A 52 5.367 -0.968 0.853 1.00 0.00 N ATOM 790 CA ASP A 52 4.339 -1.803 1.463 1.00 0.00 C ATOM 791 C ASP A 52 3.658 -1.072 2.615 1.00 0.00 C ATOM 792 O ASP A 52 4.271 -0.241 3.286 1.00 0.00 O ATOM 793 CB ASP A 52 4.948 -3.114 1.963 1.00 0.00 C ATOM 794 CG ASP A 52 6.342 -2.927 2.529 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.247 -2.542 1.759 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.528 -3.166 3.740 1.00 0.00 O ATOM 0 H ASP A 52 5.721 -0.226 1.457 1.00 0.00 H new ATOM 0 HA ASP A 52 3.589 -2.026 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.302 -3.542 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.986 -3.830 1.142 1.00 0.00 H new ATOM 801 N PHE A 53 2.386 -1.385 2.839 1.00 0.00 N ATOM 802 CA PHE A 53 1.620 -0.756 3.909 1.00 0.00 C ATOM 803 C PHE A 53 2.383 -0.813 5.229 1.00 0.00 C ATOM 804 O PHE A 53 2.441 0.171 5.967 1.00 0.00 O ATOM 805 CB PHE A 53 0.261 -1.441 4.062 1.00 0.00 C ATOM 806 CG PHE A 53 -0.677 -1.175 2.920 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.847 0.111 2.431 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.390 -2.209 2.336 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.710 0.359 1.381 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.254 -1.967 1.285 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.414 -0.682 0.806 1.00 0.00 C ATOM 0 H PHE A 53 1.864 -2.071 2.294 1.00 0.00 H new ATOM 0 HA PHE A 53 1.464 0.290 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.414 -2.516 4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.204 -1.105 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.299 0.928 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.269 -3.216 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.834 1.366 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.804 -2.782 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.088 -0.491 -0.016 1.00 0.00 H new ATOM 821 N SER A 54 2.967 -1.971 5.519 1.00 0.00 N ATOM 822 CA SER A 54 3.723 -2.158 6.752 1.00 0.00 C ATOM 823 C SER A 54 4.773 -1.064 6.917 1.00 0.00 C ATOM 824 O SER A 54 5.029 -0.593 8.026 1.00 0.00 O ATOM 825 CB SER A 54 4.396 -3.532 6.759 1.00 0.00 C ATOM 826 OG SER A 54 5.253 -3.674 7.878 1.00 0.00 O ATOM 0 H SER A 54 2.931 -2.794 4.917 1.00 0.00 H new ATOM 0 HA SER A 54 3.027 -2.098 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.636 -4.313 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.967 -3.665 5.840 1.00 0.00 H new ATOM 0 HG SER A 54 5.670 -4.561 7.860 1.00 0.00 H new ATOM 832 N THR A 55 5.380 -0.662 5.804 1.00 0.00 N ATOM 833 CA THR A 55 6.404 0.375 5.824 1.00 0.00 C ATOM 834 C THR A 55 5.777 1.765 5.823 1.00 0.00 C ATOM 835 O THR A 55 5.961 2.539 6.762 1.00 0.00 O ATOM 836 CB THR A 55 7.353 0.251 4.617 1.00 0.00 C ATOM 837 OG1 THR A 55 8.013 -1.019 4.642 1.00 0.00 O ATOM 838 CG2 THR A 55 8.387 1.366 4.625 1.00 0.00 C ATOM 0 H THR A 55 5.180 -1.039 4.878 1.00 0.00 H new ATOM 0 HA THR A 55 6.976 0.238 6.741 1.00 0.00 H new ATOM 0 HB THR A 55 6.760 0.334 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.366 -1.728 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.046 1.257 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.882 2.331 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.975 1.310 5.541 1.00 0.00 H new ATOM 846 N ILE A 56 5.038 2.075 4.763 1.00 0.00 N ATOM 847 CA ILE A 56 4.383 3.371 4.642 1.00 0.00 C ATOM 848 C ILE A 56 3.858 3.851 5.991 1.00 0.00 C ATOM 849 O ILE A 56 3.898 5.043 6.296 1.00 0.00 O ATOM 850 CB ILE A 56 3.216 3.321 3.638 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.711 2.848 2.270 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.555 4.687 3.525 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.649 2.892 1.194 1.00 0.00 C ATOM 0 H ILE A 56 4.878 1.446 3.976 1.00 0.00 H new ATOM 0 HA ILE A 56 5.135 4.071 4.278 1.00 0.00 H new ATOM 0 HB ILE A 56 2.475 2.609 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.553 3.468 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.083 1.827 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.732 4.635 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.172 4.987 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.287 5.418 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.071 2.543 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.816 2.249 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.294 3.916 1.075 1.00 0.00 H new ATOM 865 N ARG A 57 3.368 2.914 6.796 1.00 0.00 N ATOM 866 CA ARG A 57 2.836 3.240 8.113 1.00 0.00 C ATOM 867 C ARG A 57 3.911 3.873 8.992 1.00 0.00 C ATOM 868 O ARG A 57 3.739 4.983 9.496 1.00 0.00 O ATOM 869 CB ARG A 57 2.284 1.984 8.789 1.00 0.00 C ATOM 870 CG ARG A 57 1.971 2.174 10.265 1.00 0.00 C ATOM 871 CD ARG A 57 0.701 2.985 10.465 1.00 0.00 C ATOM 872 NE ARG A 57 -0.500 2.185 10.240 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.723 2.588 10.569 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.905 3.774 11.133 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.767 1.803 10.333 1.00 0.00 N ATOM 0 H ARG A 57 3.329 1.923 6.559 1.00 0.00 H new ATOM 0 HA ARG A 57 2.027 3.959 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.377 1.672 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.007 1.176 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.861 1.201 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.806 2.677 10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.684 3.388 11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.703 3.836 9.784 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.394 1.268 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.105 4.380 11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.845 4.080 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.631 0.890 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.705 2.113 10.586 1.00 0.00 H new ATOM 889 N GLU A 58 5.018 3.159 9.171 1.00 0.00 N ATOM 890 CA GLU A 58 6.119 3.652 9.990 1.00 0.00 C ATOM 891 C GLU A 58 6.539 5.052 9.553 1.00 0.00 C ATOM 892 O GLU A 58 6.785 5.927 10.384 1.00 0.00 O ATOM 893 CB GLU A 58 7.314 2.699 9.904 1.00 0.00 C ATOM 894 CG GLU A 58 7.123 1.412 10.688 1.00 0.00 C ATOM 895 CD GLU A 58 6.861 1.659 12.161 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.812 2.034 12.879 1.00 0.00 O ATOM 897 OE2 GLU A 58 5.705 1.478 12.596 1.00 0.00 O ATOM 0 H GLU A 58 5.176 2.239 8.761 1.00 0.00 H new ATOM 0 HA GLU A 58 5.775 3.701 11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.498 2.454 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.203 3.210 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.289 0.853 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.012 0.790 10.580 1.00 0.00 H new ATOM 904 N LYS A 59 6.619 5.257 8.243 1.00 0.00 N ATOM 905 CA LYS A 59 7.008 6.550 7.692 1.00 0.00 C ATOM 906 C LYS A 59 5.951 7.608 7.990 1.00 0.00 C ATOM 907 O LYS A 59 6.232 8.616 8.639 1.00 0.00 O ATOM 908 CB LYS A 59 7.225 6.440 6.182 1.00 0.00 C ATOM 909 CG LYS A 59 8.410 5.571 5.798 1.00 0.00 C ATOM 910 CD LYS A 59 8.502 5.386 4.293 1.00 0.00 C ATOM 911 CE LYS A 59 8.991 6.651 3.605 1.00 0.00 C ATOM 912 NZ LYS A 59 7.879 7.607 3.345 1.00 0.00 N ATOM 0 H LYS A 59 6.419 4.543 7.542 1.00 0.00 H new ATOM 0 HA LYS A 59 7.942 6.852 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.324 6.034 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.370 7.439 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.330 6.025 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.320 4.598 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.180 4.563 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.524 5.111 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.746 7.133 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.472 6.389 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.868 7.861 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.973 7.164 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.018 8.465 3.917 1.00 0.00 H new ATOM 926 N LEU A 60 4.734 7.372 7.512 1.00 0.00 N ATOM 927 CA LEU A 60 3.633 8.305 7.728 1.00 0.00 C ATOM 928 C LEU A 60 3.692 8.901 9.131 1.00 0.00 C ATOM 929 O LEU A 60 3.807 10.116 9.295 1.00 0.00 O ATOM 930 CB LEU A 60 2.292 7.599 7.517 1.00 0.00 C ATOM 931 CG LEU A 60 1.126 8.490 7.087 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.176 7.703 7.090 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.018 9.704 7.998 1.00 0.00 C ATOM 0 H LEU A 60 4.485 6.543 6.973 1.00 0.00 H new ATOM 0 HA LEU A 60 3.728 9.115 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.427 6.823 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.018 7.098 8.445 1.00 0.00 H new ATOM 0 HG LEU A 60 1.315 8.838 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.995 8.353 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.097 6.866 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.371 7.326 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.183 10.327 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.852 9.375 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.941 10.281 7.947 1.00 0.00 H new ATOM 945 N SER A 61 3.614 8.038 10.139 1.00 0.00 N ATOM 946 CA SER A 61 3.657 8.480 11.528 1.00 0.00 C ATOM 947 C SER A 61 4.968 9.200 11.829 1.00 0.00 C ATOM 948 O SER A 61 4.977 10.262 12.451 1.00 0.00 O ATOM 949 CB SER A 61 3.489 7.286 12.470 1.00 0.00 C ATOM 950 OG SER A 61 2.123 7.058 12.767 1.00 0.00 O ATOM 0 H SER A 61 3.521 7.029 10.020 1.00 0.00 H new ATOM 0 HA SER A 61 2.835 9.178 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.918 6.395 12.012 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.040 7.467 13.393 1.00 0.00 H new ATOM 0 HG SER A 61 2.043 6.289 13.369 1.00 0.00 H new ATOM 956 N SER A 62 6.074 8.613 11.382 1.00 0.00 N ATOM 957 CA SER A 62 7.392 9.196 11.607 1.00 0.00 C ATOM 958 C SER A 62 7.473 10.599 11.014 1.00 0.00 C ATOM 959 O SER A 62 8.412 11.347 11.287 1.00 0.00 O ATOM 960 CB SER A 62 8.476 8.307 10.994 1.00 0.00 C ATOM 961 OG SER A 62 9.770 8.803 11.291 1.00 0.00 O ATOM 0 H SER A 62 6.084 7.735 10.863 1.00 0.00 H new ATOM 0 HA SER A 62 7.554 9.265 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.376 7.291 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.341 8.257 9.914 1.00 0.00 H new ATOM 0 HG SER A 62 9.728 9.775 11.412 1.00 0.00 H new ATOM 967 N GLY A 63 6.482 10.950 10.201 1.00 0.00 N ATOM 968 CA GLY A 63 6.460 12.262 9.581 1.00 0.00 C ATOM 969 C GLY A 63 7.441 12.378 8.432 1.00 0.00 C ATOM 970 O GLY A 63 8.160 13.370 8.319 1.00 0.00 O ATOM 0 H GLY A 63 5.694 10.349 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.454 12.472 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.692 13.018 10.331 1.00 0.00 H new ATOM 974 N GLN A 64 7.471 11.360 7.578 1.00 0.00 N ATOM 975 CA GLN A 64 8.374 11.351 6.432 1.00 0.00 C ATOM 976 C GLN A 64 7.738 12.047 5.233 1.00 0.00 C ATOM 977 O GLN A 64 8.399 12.293 4.224 1.00 0.00 O ATOM 978 CB GLN A 64 8.750 9.915 6.064 1.00 0.00 C ATOM 979 CG GLN A 64 9.467 9.169 7.178 1.00 0.00 C ATOM 980 CD GLN A 64 10.972 9.344 7.123 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.477 10.283 6.509 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.697 8.437 7.767 1.00 0.00 N ATOM 0 H GLN A 64 6.881 10.532 7.657 1.00 0.00 H new ATOM 0 HA GLN A 64 9.277 11.896 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.846 9.369 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.387 9.930 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.099 9.521 8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.226 8.108 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.236 7.674 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.715 8.503 7.765 1.00 0.00 H new ATOM 991 N TYR A 65 6.453 12.360 5.350 1.00 0.00 N ATOM 992 CA TYR A 65 5.727 13.025 4.274 1.00 0.00 C ATOM 993 C TYR A 65 5.454 14.485 4.622 1.00 0.00 C ATOM 994 O TYR A 65 4.726 14.799 5.564 1.00 0.00 O ATOM 995 CB TYR A 65 4.409 12.300 3.996 1.00 0.00 C ATOM 996 CG TYR A 65 4.581 10.831 3.681 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.334 10.418 2.589 1.00 0.00 C ATOM 998 CD2 TYR A 65 3.989 9.856 4.474 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.494 9.078 2.296 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.144 8.513 4.190 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.897 8.129 3.100 1.00 0.00 C ATOM 1002 OH TYR A 65 5.052 6.792 2.813 1.00 0.00 O ATOM 0 H TYR A 65 5.892 12.164 6.179 1.00 0.00 H new ATOM 0 HA TYR A 65 6.347 12.994 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.757 12.403 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.906 12.786 3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.803 11.158 1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.397 10.153 5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.083 8.775 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.678 7.768 4.818 1.00 0.00 H new ATOM 0 HH TYR A 65 5.787 6.677 2.175 1.00 0.00 H new ATOM 1012 N PRO A 66 6.051 15.399 3.844 1.00 0.00 N ATOM 1013 CA PRO A 66 5.887 16.841 4.048 1.00 0.00 C ATOM 1014 C PRO A 66 4.481 17.320 3.700 1.00 0.00 C ATOM 1015 O PRO A 66 4.008 18.323 4.232 1.00 0.00 O ATOM 1016 CB PRO A 66 6.912 17.454 3.091 1.00 0.00 C ATOM 1017 CG PRO A 66 7.098 16.428 2.027 1.00 0.00 C ATOM 1018 CD PRO A 66 6.932 15.095 2.703 1.00 0.00 C ATOM 0 HA PRO A 66 6.034 17.124 5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.552 18.395 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.851 17.670 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.365 16.555 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.084 16.514 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.485 14.359 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.889 14.689 3.031 1.00 0.00 H new ATOM 1026 N ASN A 67 3.819 16.595 2.805 1.00 0.00 N ATOM 1027 CA ASN A 67 2.466 16.946 2.386 1.00 0.00 C ATOM 1028 C ASN A 67 1.696 15.707 1.941 1.00 0.00 C ATOM 1029 O ASN A 67 2.219 14.592 1.973 1.00 0.00 O ATOM 1030 CB ASN A 67 2.512 17.968 1.249 1.00 0.00 C ATOM 1031 CG ASN A 67 3.690 18.916 1.369 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.823 18.527 0.796 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 3.582 19.985 1.970 1.00 0.00 N flip ATOM 0 H ASN A 67 4.197 15.761 2.356 1.00 0.00 H new ATOM 0 HA ASN A 67 1.950 17.385 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.567 17.444 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.586 18.543 1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.692 20.243 2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.383 20.612 2.043 1.00 0.00 H new ATOM 1040 N LEU A 68 0.450 15.909 1.527 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.394 14.809 1.074 1.00 0.00 C ATOM 1042 C LEU A 68 0.133 14.219 -0.231 1.00 0.00 C ATOM 1043 O LEU A 68 0.140 13.003 -0.414 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.834 15.289 0.885 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.490 15.938 2.104 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.732 16.714 1.692 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.839 14.885 3.146 1.00 0.00 C ATOM 0 H LEU A 68 0.002 16.825 1.496 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.374 14.031 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.852 16.005 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.443 14.438 0.580 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.779 16.637 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.186 17.169 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.455 17.494 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.446 16.036 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.305 15.365 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.531 14.162 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.931 14.373 3.464 1.00 0.00 H new ATOM 1059 N GLU A 69 0.574 15.091 -1.132 1.00 0.00 N ATOM 1060 CA GLU A 69 1.104 14.656 -2.419 1.00 0.00 C ATOM 1061 C GLU A 69 2.053 13.474 -2.245 1.00 0.00 C ATOM 1062 O GLU A 69 1.835 12.399 -2.804 1.00 0.00 O ATOM 1063 CB GLU A 69 1.831 15.810 -3.113 1.00 0.00 C ATOM 1064 CG GLU A 69 2.400 15.441 -4.473 1.00 0.00 C ATOM 1065 CD GLU A 69 3.627 16.256 -4.832 1.00 0.00 C ATOM 1066 OE1 GLU A 69 3.475 17.462 -5.115 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.739 15.687 -4.832 1.00 0.00 O ATOM 0 H GLU A 69 0.575 16.102 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 69 0.266 14.339 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.140 16.644 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.641 16.156 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.657 14.382 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.635 15.588 -5.235 1.00 0.00 H new ATOM 1074 N THR A 70 3.110 13.680 -1.464 1.00 0.00 N ATOM 1075 CA THR A 70 4.094 12.634 -1.217 1.00 0.00 C ATOM 1076 C THR A 70 3.423 11.349 -0.745 1.00 0.00 C ATOM 1077 O THR A 70 3.523 10.309 -1.397 1.00 0.00 O ATOM 1078 CB THR A 70 5.130 13.074 -0.166 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.465 13.523 1.020 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.013 14.187 -0.710 1.00 0.00 C ATOM 0 H THR A 70 3.306 14.563 -0.992 1.00 0.00 H new ATOM 0 HA THR A 70 4.603 12.449 -2.163 1.00 0.00 H new ATOM 0 HB THR A 70 5.759 12.216 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.622 13.960 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.737 14.481 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.540 13.833 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.395 15.045 -0.974 1.00 0.00 H new ATOM 1088 N PHE A 71 2.739 11.427 0.391 1.00 0.00 N ATOM 1089 CA PHE A 71 2.051 10.269 0.951 1.00 0.00 C ATOM 1090 C PHE A 71 1.322 9.490 -0.140 1.00 0.00 C ATOM 1091 O PHE A 71 1.461 8.272 -0.246 1.00 0.00 O ATOM 1092 CB PHE A 71 1.058 10.711 2.028 1.00 0.00 C ATOM 1093 CG PHE A 71 0.089 9.634 2.427 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -1.108 9.475 1.748 1.00 0.00 C ATOM 1095 CD2 PHE A 71 0.376 8.782 3.481 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -2.002 8.486 2.114 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -0.513 7.791 3.851 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.703 7.642 3.166 1.00 0.00 C ATOM 0 H PHE A 71 2.646 12.280 0.942 1.00 0.00 H new ATOM 0 HA PHE A 71 2.798 9.616 1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.611 11.036 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.500 11.574 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.345 10.131 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.305 8.894 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.933 8.373 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.278 7.134 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.399 6.867 3.452 1.00 0.00 H new ATOM 1108 N ALA A 72 0.545 10.202 -0.949 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.205 9.579 -2.033 1.00 0.00 C ATOM 1110 C ALA A 72 0.726 8.844 -2.993 1.00 0.00 C ATOM 1111 O ALA A 72 0.500 7.679 -3.323 1.00 0.00 O ATOM 1112 CB ALA A 72 -1.019 10.624 -2.781 1.00 0.00 C ATOM 0 H ALA A 72 0.418 11.211 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.886 8.848 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.574 10.144 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.718 11.101 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.350 11.376 -3.198 1.00 0.00 H new ATOM 1118 N LEU A 73 1.771 9.532 -3.438 1.00 0.00 N ATOM 1119 CA LEU A 73 2.737 8.945 -4.360 1.00 0.00 C ATOM 1120 C LEU A 73 3.128 7.539 -3.917 1.00 0.00 C ATOM 1121 O LEU A 73 3.176 6.613 -4.727 1.00 0.00 O ATOM 1122 CB LEU A 73 3.982 9.827 -4.456 1.00 0.00 C ATOM 1123 CG LEU A 73 3.835 11.110 -5.276 1.00 0.00 C ATOM 1124 CD1 LEU A 73 4.874 12.137 -4.852 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.955 10.810 -6.763 1.00 0.00 C ATOM 0 H LEU A 73 1.971 10.497 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 73 2.270 8.879 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.289 10.098 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.790 9.235 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 73 2.845 11.526 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.754 13.043 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.741 12.375 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.873 11.730 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.848 11.734 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.931 10.370 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.172 10.111 -7.057 1.00 0.00 H new ATOM 1137 N ASP A 74 3.405 7.387 -2.627 1.00 0.00 N ATOM 1138 CA ASP A 74 3.789 6.093 -2.075 1.00 0.00 C ATOM 1139 C ASP A 74 2.642 5.093 -2.184 1.00 0.00 C ATOM 1140 O ASP A 74 2.821 3.978 -2.674 1.00 0.00 O ATOM 1141 CB ASP A 74 4.213 6.244 -0.613 1.00 0.00 C ATOM 1142 CG ASP A 74 5.396 7.177 -0.446 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.227 8.394 -0.670 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.491 6.691 -0.093 1.00 0.00 O ATOM 0 H ASP A 74 3.371 8.144 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 74 4.632 5.715 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.372 6.621 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.467 5.264 -0.208 1.00 0.00 H new ATOM 1149 N VAL A 75 1.463 5.500 -1.724 1.00 0.00 N ATOM 1150 CA VAL A 75 0.287 4.640 -1.770 1.00 0.00 C ATOM 1151 C VAL A 75 0.038 4.125 -3.183 1.00 0.00 C ATOM 1152 O VAL A 75 0.092 2.921 -3.434 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.970 5.382 -1.277 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.186 4.470 -1.334 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.757 5.912 0.133 1.00 0.00 C ATOM 0 H VAL A 75 1.297 6.420 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 75 0.485 3.797 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.151 6.231 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.064 5.012 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.349 4.144 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.018 3.600 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.655 6.433 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.550 5.081 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.086 6.602 0.139 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.235 5.045 -4.103 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.494 4.683 -5.492 1.00 0.00 C ATOM 1167 C ARG A 76 0.599 3.761 -6.025 1.00 0.00 C ATOM 1168 O ARG A 76 0.332 2.863 -6.825 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.585 5.940 -6.359 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.733 6.860 -5.980 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.418 8.310 -6.312 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.846 8.668 -7.661 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.992 9.921 -8.078 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.745 10.930 -7.254 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.385 10.167 -9.321 1.00 0.00 N ATOM 0 H ARG A 76 -0.283 6.046 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.445 4.152 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.352 6.492 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.697 5.644 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.636 6.553 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.939 6.766 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.910 8.962 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.346 8.479 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.044 7.915 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.442 10.745 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.858 11.891 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.576 9.394 -9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.497 11.130 -9.640 1.00 0.00 H new ATOM 1189 N LEU A 77 1.829 3.990 -5.580 1.00 0.00 N ATOM 1190 CA LEU A 77 2.963 3.181 -6.013 1.00 0.00 C ATOM 1191 C LEU A 77 2.827 1.744 -5.518 1.00 0.00 C ATOM 1192 O LEU A 77 3.282 0.806 -6.171 1.00 0.00 O ATOM 1193 CB LEU A 77 4.271 3.786 -5.502 1.00 0.00 C ATOM 1194 CG LEU A 77 5.487 2.859 -5.509 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.177 2.893 -6.865 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.460 3.247 -4.405 1.00 0.00 C ATOM 0 H LEU A 77 2.067 4.730 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 77 2.976 3.171 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.504 4.662 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.112 4.136 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 77 5.144 1.841 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.040 2.227 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.480 2.567 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.506 3.909 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.319 2.577 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.796 4.272 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.963 3.170 -3.438 1.00 0.00 H new ATOM 1208 N VAL A 78 2.196 1.580 -4.360 1.00 0.00 N ATOM 1209 CA VAL A 78 1.996 0.258 -3.778 1.00 0.00 C ATOM 1210 C VAL A 78 1.146 -0.620 -4.689 1.00 0.00 C ATOM 1211 O VAL A 78 1.435 -1.803 -4.875 1.00 0.00 O ATOM 1212 CB VAL A 78 1.322 0.348 -2.396 1.00 0.00 C ATOM 1213 CG1 VAL A 78 0.955 -1.038 -1.890 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.231 1.063 -1.407 1.00 0.00 C ATOM 0 H VAL A 78 1.814 2.347 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 78 2.983 -0.190 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 78 0.404 0.927 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.480 -0.954 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.265 -1.510 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.857 -1.645 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.740 1.118 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.167 0.513 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.438 2.071 -1.766 1.00 0.00 H new ATOM 1224 N PHE A 79 0.097 -0.034 -5.257 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.796 -0.764 -6.149 1.00 0.00 C ATOM 1226 C PHE A 79 -0.104 -1.082 -7.471 1.00 0.00 C ATOM 1227 O PHE A 79 -0.423 -2.073 -8.129 1.00 0.00 O ATOM 1228 CB PHE A 79 -2.067 0.048 -6.408 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.615 0.713 -5.178 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.672 0.031 -3.973 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.072 2.020 -5.227 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.177 0.641 -2.840 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.577 2.635 -4.097 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.629 1.945 -2.902 1.00 0.00 C ATOM 0 H PHE A 79 -0.155 0.944 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.065 -1.703 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.855 0.809 -7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.829 -0.609 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.318 -0.988 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.033 2.564 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.218 0.099 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.931 3.654 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.022 2.424 -2.017 1.00 0.00 H new ATOM 1244 N ASP A 80 0.845 -0.235 -7.853 1.00 0.00 N ATOM 1245 CA ASP A 80 1.584 -0.425 -9.096 1.00 0.00 C ATOM 1246 C ASP A 80 2.581 -1.572 -8.966 1.00 0.00 C ATOM 1247 O ASP A 80 2.714 -2.398 -9.868 1.00 0.00 O ATOM 1248 CB ASP A 80 2.316 0.862 -9.481 1.00 0.00 C ATOM 1249 CG ASP A 80 2.932 0.786 -10.865 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.070 0.285 -10.981 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.275 1.226 -11.831 1.00 0.00 O ATOM 0 H ASP A 80 1.121 0.590 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 80 0.869 -0.676 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.618 1.699 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.098 1.065 -8.749 1.00 0.00 H new ATOM 1256 N ASN A 81 3.280 -1.616 -7.836 1.00 0.00 N ATOM 1257 CA ASN A 81 4.267 -2.662 -7.589 1.00 0.00 C ATOM 1258 C ASN A 81 3.637 -4.045 -7.717 1.00 0.00 C ATOM 1259 O ASN A 81 4.275 -4.988 -8.188 1.00 0.00 O ATOM 1260 CB ASN A 81 4.879 -2.494 -6.196 1.00 0.00 C ATOM 1261 CG ASN A 81 5.573 -1.157 -6.027 1.00 0.00 C ATOM 1262 OD1 ASN A 81 5.858 -0.464 -7.004 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.848 -0.787 -4.781 1.00 0.00 N ATOM 0 H ASN A 81 3.182 -0.941 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 81 5.054 -2.570 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.096 -2.591 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.594 -3.297 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.314 0.103 -4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.594 -1.393 -4.001 1.00 0.00 H new ATOM 1270 N CYS A 82 2.382 -4.159 -7.295 1.00 0.00 N ATOM 1271 CA CYS A 82 1.666 -5.428 -7.362 1.00 0.00 C ATOM 1272 C CYS A 82 1.249 -5.742 -8.796 1.00 0.00 C ATOM 1273 O CYS A 82 1.525 -6.826 -9.308 1.00 0.00 O ATOM 1274 CB CYS A 82 0.434 -5.390 -6.457 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.858 -6.568 -6.919 1.00 0.00 S ATOM 0 H CYS A 82 1.840 -3.389 -6.903 1.00 0.00 H new ATOM 0 HA CYS A 82 2.337 -6.215 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.744 -5.590 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.016 -4.384 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.857 -6.462 -6.094 1.00 0.00 H new ATOM 1281 N GLU A 83 0.583 -4.786 -9.436 1.00 0.00 N ATOM 1282 CA GLU A 83 0.126 -4.963 -10.809 1.00 0.00 C ATOM 1283 C GLU A 83 1.310 -5.083 -11.765 1.00 0.00 C ATOM 1284 O GLU A 83 1.165 -5.545 -12.897 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.765 -3.792 -11.228 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.003 -2.647 -11.873 1.00 0.00 C ATOM 1287 CD GLU A 83 -0.912 -1.515 -12.311 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.111 -1.772 -12.544 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -0.422 -0.371 -12.420 1.00 0.00 O ATOM 0 H GLU A 83 0.348 -3.882 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.452 -5.886 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.520 -4.153 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.294 -3.417 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.735 -2.264 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.546 -3.022 -12.737 1.00 0.00 H new ATOM 1296 N THR A 84 2.483 -4.661 -11.301 1.00 0.00 N ATOM 1297 CA THR A 84 3.691 -4.719 -12.113 1.00 0.00 C ATOM 1298 C THR A 84 4.406 -6.055 -11.942 1.00 0.00 C ATOM 1299 O THR A 84 4.646 -6.771 -12.914 1.00 0.00 O ATOM 1300 CB THR A 84 4.664 -3.580 -11.754 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.024 -2.312 -11.940 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.919 -3.650 -12.612 1.00 0.00 C ATOM 0 H THR A 84 2.621 -4.275 -10.367 1.00 0.00 H new ATOM 0 HA THR A 84 3.379 -4.608 -13.151 1.00 0.00 H new ATOM 0 HB THR A 84 4.950 -3.693 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.213 -2.271 -11.391 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.591 -2.836 -12.341 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.420 -4.604 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.646 -3.560 -13.664 1.00 0.00 H new ATOM 1310 N PHE A 85 4.743 -6.385 -10.700 1.00 0.00 N ATOM 1311 CA PHE A 85 5.431 -7.636 -10.401 1.00 0.00 C ATOM 1312 C PHE A 85 4.478 -8.822 -10.519 1.00 0.00 C ATOM 1313 O PHE A 85 4.730 -9.761 -11.272 1.00 0.00 O ATOM 1314 CB PHE A 85 6.033 -7.588 -8.995 1.00 0.00 C ATOM 1315 CG PHE A 85 6.888 -8.779 -8.669 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.165 -8.897 -9.195 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.415 -9.781 -7.837 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.954 -9.992 -8.896 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.200 -10.878 -7.535 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.471 -10.984 -8.066 1.00 0.00 C ATOM 0 H PHE A 85 4.551 -5.804 -9.884 1.00 0.00 H new ATOM 0 HA PHE A 85 6.233 -7.764 -11.128 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.632 -6.683 -8.895 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.226 -7.519 -8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.548 -8.125 -9.846 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.422 -9.704 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.948 -10.071 -9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.820 -11.652 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.085 -11.841 -7.832 1.00 0.00 H new ATOM 1330 N ASN A 86 3.383 -8.770 -9.768 1.00 0.00 N ATOM 1331 CA ASN A 86 2.392 -9.841 -9.787 1.00 0.00 C ATOM 1332 C ASN A 86 1.476 -9.713 -11.000 1.00 0.00 C ATOM 1333 O ASN A 86 1.350 -8.636 -11.583 1.00 0.00 O ATOM 1334 CB ASN A 86 1.562 -9.817 -8.502 1.00 0.00 C ATOM 1335 CG ASN A 86 2.370 -10.220 -7.284 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.323 -11.370 -6.846 1.00 0.00 O ATOM 1337 ND2 ASN A 86 3.117 -9.272 -6.730 1.00 0.00 N ATOM 0 H ASN A 86 3.159 -7.999 -9.139 1.00 0.00 H new ATOM 0 HA ASN A 86 2.921 -10.792 -9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.159 -8.816 -8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.712 -10.490 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.682 -9.484 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.125 -8.332 -7.127 1.00 0.00 H new ATOM 1344 N GLU A 87 0.840 -10.818 -11.374 1.00 0.00 N ATOM 1345 CA GLU A 87 -0.064 -10.829 -12.518 1.00 0.00 C ATOM 1346 C GLU A 87 -1.517 -10.709 -12.064 1.00 0.00 C ATOM 1347 O GLU A 87 -1.900 -11.246 -11.025 1.00 0.00 O ATOM 1348 CB GLU A 87 0.123 -12.111 -13.332 1.00 0.00 C ATOM 1349 CG GLU A 87 1.299 -12.056 -14.292 1.00 0.00 C ATOM 1350 CD GLU A 87 2.590 -12.543 -13.661 1.00 0.00 C ATOM 1351 OE1 GLU A 87 2.584 -13.646 -13.075 1.00 0.00 O ATOM 1352 OE2 GLU A 87 3.605 -11.822 -13.753 1.00 0.00 O ATOM 0 H GLU A 87 0.934 -11.717 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 87 0.175 -9.971 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.262 -12.948 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.788 -12.309 -13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.076 -12.663 -15.169 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.432 -11.031 -14.639 1.00 0.00 H new ATOM 1359 N ASP A 88 -2.319 -10.001 -12.851 1.00 0.00 N ATOM 1360 CA ASP A 88 -3.729 -9.810 -12.533 1.00 0.00 C ATOM 1361 C ASP A 88 -4.426 -11.151 -12.327 1.00 0.00 C ATOM 1362 O ASP A 88 -5.152 -11.341 -11.352 1.00 0.00 O ATOM 1363 CB ASP A 88 -4.424 -9.024 -13.646 1.00 0.00 C ATOM 1364 CG ASP A 88 -3.636 -7.801 -14.070 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -2.865 -7.275 -13.241 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -3.790 -7.368 -15.232 1.00 0.00 O ATOM 0 H ASP A 88 -2.017 -9.550 -13.714 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.793 -9.242 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.572 -9.674 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.413 -8.716 -13.306 1.00 0.00 H new ATOM 1371 N ASP A 89 -4.202 -12.076 -13.254 1.00 0.00 N ATOM 1372 CA ASP A 89 -4.808 -13.400 -13.175 1.00 0.00 C ATOM 1373 C ASP A 89 -4.589 -14.017 -11.797 1.00 0.00 C ATOM 1374 O ASP A 89 -5.343 -14.891 -11.370 1.00 0.00 O ATOM 1375 CB ASP A 89 -4.230 -14.315 -14.256 1.00 0.00 C ATOM 1376 CG ASP A 89 -4.849 -15.698 -14.235 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -6.093 -15.792 -14.290 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -4.089 -16.687 -14.163 1.00 0.00 O ATOM 0 H ASP A 89 -3.605 -11.933 -14.069 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.880 -13.292 -13.338 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.391 -13.863 -15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.152 -14.400 -14.118 1.00 0.00 H new ATOM 1383 N SER A 90 -3.550 -13.558 -11.107 1.00 0.00 N ATOM 1384 CA SER A 90 -3.228 -14.068 -9.780 1.00 0.00 C ATOM 1385 C SER A 90 -4.026 -13.334 -8.707 1.00 0.00 C ATOM 1386 O SER A 90 -4.423 -12.183 -8.892 1.00 0.00 O ATOM 1387 CB SER A 90 -1.730 -13.924 -9.505 1.00 0.00 C ATOM 1388 OG SER A 90 -1.435 -12.660 -8.936 1.00 0.00 O ATOM 0 H SER A 90 -2.917 -12.834 -11.445 1.00 0.00 H new ATOM 0 HA SER A 90 -3.496 -15.124 -9.749 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.403 -14.715 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.173 -14.047 -10.434 1.00 0.00 H new ATOM 0 HG SER A 90 -1.739 -11.950 -9.540 1.00 0.00 H new ATOM 1394 N ASP A 91 -4.258 -14.008 -7.586 1.00 0.00 N ATOM 1395 CA ASP A 91 -5.008 -13.421 -6.482 1.00 0.00 C ATOM 1396 C ASP A 91 -4.543 -11.994 -6.207 1.00 0.00 C ATOM 1397 O ASP A 91 -5.291 -11.037 -6.412 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.852 -14.272 -5.221 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.513 -15.630 -5.354 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.636 -16.121 -6.496 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.908 -16.202 -4.316 1.00 0.00 O ATOM 0 H ASP A 91 -3.937 -14.962 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.060 -13.394 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.792 -14.407 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.285 -13.742 -4.373 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.306 -11.859 -5.742 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.742 -10.549 -5.440 1.00 0.00 C ATOM 1408 C ILE A 92 -3.015 -9.560 -6.568 1.00 0.00 C ATOM 1409 O ILE A 92 -3.537 -8.469 -6.338 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.223 -10.631 -5.201 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.932 -11.269 -3.841 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.597 -9.247 -5.288 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.542 -11.337 -3.508 1.00 0.00 C ATOM 0 H ILE A 92 -2.675 -12.641 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.226 -10.200 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.782 -11.257 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.446 -10.701 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.347 -12.277 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.477 -9.322 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.778 -8.827 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.041 -8.599 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.673 -11.801 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.059 -11.930 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.958 -10.330 -3.491 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.660 -9.949 -7.788 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.876 -9.085 -8.935 1.00 0.00 C ATOM 1427 C GLY A 93 -4.186 -8.327 -8.850 1.00 0.00 C ATOM 1428 O GLY A 93 -4.195 -7.107 -8.686 1.00 0.00 O ATOM 0 H GLY A 93 -2.227 -10.847 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.053 -8.375 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.865 -9.685 -9.845 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.295 -9.050 -8.964 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.617 -8.437 -8.903 1.00 0.00 C ATOM 1434 C ARG A 94 -6.704 -7.450 -7.743 1.00 0.00 C ATOM 1435 O ARG A 94 -7.132 -6.309 -7.917 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.694 -9.513 -8.753 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.852 -10.392 -9.983 1.00 0.00 C ATOM 1438 CD ARG A 94 -9.024 -11.349 -9.837 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.626 -11.679 -11.126 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.514 -10.906 -11.741 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.903 -9.766 -11.188 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.017 -11.274 -12.913 1.00 0.00 N ATOM 0 H ARG A 94 -5.305 -10.061 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.783 -7.894 -9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.451 -10.142 -7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.648 -9.033 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.000 -9.766 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.936 -10.959 -10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.686 -12.264 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.778 -10.902 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.350 -12.550 -11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.520 -9.480 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.585 -9.175 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.722 -12.151 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.699 -10.680 -13.385 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.298 -7.897 -6.559 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.329 -7.052 -5.372 1.00 0.00 C ATOM 1458 C ALA A 95 -5.806 -5.653 -5.679 1.00 0.00 C ATOM 1459 O ALA A 95 -6.414 -4.655 -5.297 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.518 -7.687 -4.251 1.00 0.00 C ATOM 0 H ALA A 95 -5.944 -8.840 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.366 -6.960 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.550 -7.045 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.939 -8.662 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.484 -7.809 -4.574 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.673 -5.589 -6.372 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.087 -4.307 -6.718 1.00 0.00 C ATOM 1468 C GLY A 96 -5.069 -3.391 -7.421 1.00 0.00 C ATOM 1469 O GLY A 96 -5.206 -2.222 -7.061 1.00 0.00 O ATOM 0 H GLY A 96 -4.151 -6.402 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.725 -3.820 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.221 -4.468 -7.361 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.753 -3.923 -8.429 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.727 -3.144 -9.186 1.00 0.00 C ATOM 1475 C HIS A 97 -7.801 -2.573 -8.265 1.00 0.00 C ATOM 1476 O HIS A 97 -8.155 -1.399 -8.361 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.375 -4.010 -10.267 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.465 -4.314 -11.417 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.787 -3.338 -12.118 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.120 -5.492 -11.986 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.067 -3.904 -13.070 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.251 -5.210 -13.011 1.00 0.00 N ATOM 0 H HIS A 97 -5.651 -4.889 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.202 -2.315 -9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.707 -4.947 -9.820 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.264 -3.503 -10.642 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -5.834 -2.336 -11.931 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.464 -6.472 -11.689 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.435 -3.386 -13.777 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.315 -3.412 -7.371 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.349 -2.991 -6.433 1.00 0.00 C ATOM 1492 C ASN A 98 -8.802 -1.964 -5.446 1.00 0.00 C ATOM 1493 O ASN A 98 -9.537 -1.108 -4.955 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.902 -4.199 -5.675 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.822 -5.048 -6.532 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.363 -4.579 -7.533 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.003 -6.304 -6.141 1.00 0.00 N ATOM 0 H ASN A 98 -8.032 -4.387 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.155 -2.528 -7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.074 -4.812 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.445 -3.855 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.611 -6.923 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.534 -6.650 -5.304 1.00 0.00 H new ATOM 1504 N MET A 99 -7.507 -2.056 -5.161 1.00 0.00 N ATOM 1505 CA MET A 99 -6.862 -1.134 -4.235 1.00 0.00 C ATOM 1506 C MET A 99 -6.705 0.247 -4.862 1.00 0.00 C ATOM 1507 O MET A 99 -6.854 1.266 -4.188 1.00 0.00 O ATOM 1508 CB MET A 99 -5.493 -1.674 -3.815 1.00 0.00 C ATOM 1509 CG MET A 99 -5.536 -2.525 -2.556 1.00 0.00 C ATOM 1510 SD MET A 99 -5.216 -1.569 -1.061 1.00 0.00 S ATOM 1511 CE MET A 99 -6.842 -0.891 -0.738 1.00 0.00 C ATOM 0 H MET A 99 -6.884 -2.760 -5.558 1.00 0.00 H new ATOM 0 HA MET A 99 -7.496 -1.043 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.080 -2.267 -4.631 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.815 -0.836 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.514 -3.000 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.799 -3.324 -2.637 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.018 -0.864 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.901 0.120 -1.141 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.598 -1.516 -1.214 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.405 0.273 -6.157 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.227 1.530 -6.875 1.00 0.00 C ATOM 1523 C ARG A 100 -7.562 2.248 -7.053 1.00 0.00 C ATOM 1524 O ARG A 100 -7.678 3.442 -6.778 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.586 1.275 -8.240 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.441 2.529 -9.088 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.013 2.194 -10.508 1.00 0.00 C ATOM 1528 NE ARG A 100 -3.562 2.084 -10.632 1.00 0.00 N ATOM 1529 CZ ARG A 100 -2.745 3.132 -10.654 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.235 4.360 -10.561 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -1.436 2.951 -10.769 1.00 0.00 N ATOM 0 H ARG A 100 -6.280 -0.562 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.568 2.167 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.602 0.830 -8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.187 0.546 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.389 3.067 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.707 3.195 -8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.475 1.255 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.377 2.965 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.153 1.152 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.241 4.502 -10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.606 5.163 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.056 2.007 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.809 3.756 -10.786 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.567 1.511 -7.514 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.894 2.076 -7.729 1.00 0.00 C ATOM 1547 C LYS A 101 -10.501 2.554 -6.414 1.00 0.00 C ATOM 1548 O LYS A 101 -11.361 3.435 -6.400 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.812 1.039 -8.380 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.933 -0.250 -7.586 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.095 -0.196 -6.608 1.00 0.00 C ATOM 1552 CE LYS A 101 -12.639 -1.585 -6.312 1.00 0.00 C ATOM 1553 NZ LYS A 101 -13.880 -1.530 -5.490 1.00 0.00 N ATOM 0 H LYS A 101 -8.488 0.521 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.794 2.933 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.804 1.473 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.436 0.808 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.070 -1.088 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.006 -0.431 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.769 0.274 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.889 0.427 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.847 -2.101 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.882 -2.168 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.220 -2.496 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.676 -1.060 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.611 -0.995 -6.001 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.047 1.969 -5.311 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.547 2.335 -3.991 1.00 0.00 C ATOM 1569 C TYR A 102 -9.836 3.578 -3.465 1.00 0.00 C ATOM 1570 O TYR A 102 -10.473 4.515 -2.984 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.360 1.174 -3.012 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.950 1.434 -1.645 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.272 1.111 -1.364 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.186 2.004 -0.633 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.816 1.348 -0.116 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.721 2.243 0.618 1.00 0.00 C ATOM 1577 CZ TYR A 102 -12.036 1.913 0.871 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.573 2.151 2.116 1.00 0.00 O ATOM 0 H TYR A 102 -9.334 1.240 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.610 2.558 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.818 0.278 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.295 0.967 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.885 0.667 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.156 2.265 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.846 1.092 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.113 2.686 1.393 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.271 1.489 2.303 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.510 3.578 -3.560 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.711 4.705 -3.094 1.00 0.00 C ATOM 1590 C PHE A 103 -8.261 6.022 -3.634 1.00 0.00 C ATOM 1591 O PHE A 103 -8.213 7.049 -2.958 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.252 4.535 -3.523 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.423 5.773 -3.336 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.154 6.257 -2.066 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.914 6.454 -4.430 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.392 7.397 -1.890 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.151 7.594 -4.260 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.890 8.066 -2.989 1.00 0.00 C ATOM 0 H PHE A 103 -7.967 2.810 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.762 4.729 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.807 3.720 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.222 4.243 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.544 5.738 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.116 6.090 -5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.190 7.764 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.759 8.115 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.294 8.957 -2.854 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.781 5.983 -4.857 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.339 7.174 -5.487 1.00 0.00 C ATOM 1610 C GLU A 104 -10.701 7.518 -4.892 1.00 0.00 C ATOM 1611 O GLU A 104 -10.997 8.682 -4.621 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.469 6.964 -6.998 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.157 6.608 -7.678 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.333 6.276 -9.147 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.899 5.205 -9.450 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.906 7.088 -9.993 1.00 0.00 O ATOM 0 H GLU A 104 -8.827 5.141 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.660 8.005 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.193 6.171 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.868 7.872 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.462 7.442 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.707 5.756 -7.168 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.527 6.497 -4.690 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.858 6.689 -4.127 1.00 0.00 C ATOM 1625 C LYS A 105 -12.773 7.117 -2.665 1.00 0.00 C ATOM 1626 O LYS A 105 -13.652 7.814 -2.159 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.675 5.400 -4.245 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.157 5.113 -5.657 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.166 6.149 -6.123 1.00 0.00 C ATOM 1630 CE LYS A 105 -15.741 5.793 -7.485 1.00 0.00 C ATOM 1631 NZ LYS A 105 -16.693 6.829 -7.973 1.00 0.00 N ATOM 0 H LYS A 105 -11.298 5.527 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.354 7.479 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.069 4.563 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.537 5.464 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.306 5.101 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.609 4.122 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.973 6.226 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.688 7.127 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.929 5.679 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.251 4.831 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.063 6.550 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.481 6.921 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.201 7.741 -8.056 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.708 6.695 -1.991 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.506 7.037 -0.588 1.00 0.00 C ATOM 1647 C LYS A 106 -10.745 8.352 -0.452 1.00 0.00 C ATOM 1648 O LYS A 106 -10.973 9.117 0.485 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.743 5.918 0.126 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.411 6.235 1.574 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.652 6.203 2.450 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.371 6.764 3.835 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.593 6.777 4.687 1.00 0.00 N ATOM 0 H LYS A 106 -10.972 6.116 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.485 7.155 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.337 5.005 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.818 5.718 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.682 5.515 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.947 7.219 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.447 6.779 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.011 5.177 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.598 6.167 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.981 7.778 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.346 7.103 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.298 7.420 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.990 5.817 4.740 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.843 8.608 -1.392 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.050 9.832 -1.378 1.00 0.00 C ATOM 1669 C TRP A 107 -9.874 11.020 -1.859 1.00 0.00 C ATOM 1670 O TRP A 107 -9.876 12.082 -1.235 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.807 9.669 -2.254 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.909 10.869 -2.240 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.028 11.990 -3.010 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.754 11.065 -1.417 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.016 12.872 -2.715 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.222 12.329 -1.740 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.119 10.298 -0.436 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.085 12.839 -1.119 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.991 10.806 0.179 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.484 12.067 -0.163 1.00 0.00 C ATOM 0 H TRP A 107 -9.642 7.984 -2.174 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.739 10.022 -0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.244 8.799 -1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.118 9.468 -3.279 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.803 12.159 -3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.879 13.784 -3.152 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.503 9.326 -0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.692 13.810 -1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.491 10.221 0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.601 12.436 0.338 1.00 0.00 H new ATOM 1691 N THR A 108 -10.576 10.836 -2.973 1.00 0.00 N ATOM 1692 CA THR A 108 -11.404 11.894 -3.539 1.00 0.00 C ATOM 1693 C THR A 108 -12.396 12.424 -2.511 1.00 0.00 C ATOM 1694 O THR A 108 -12.752 13.602 -2.527 1.00 0.00 O ATOM 1695 CB THR A 108 -12.178 11.401 -4.776 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.824 12.503 -5.421 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.213 10.357 -4.386 1.00 0.00 C ATOM 0 H THR A 108 -10.588 9.964 -3.501 1.00 0.00 H new ATOM 0 HA THR A 108 -10.730 12.697 -3.838 1.00 0.00 H new ATOM 0 HB THR A 108 -11.467 10.945 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.313 12.181 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.747 10.024 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.714 9.506 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.920 10.792 -3.680 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.840 11.547 -1.617 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.791 11.928 -0.579 1.00 0.00 C ATOM 1707 C ASP A 109 -13.104 12.735 0.518 1.00 0.00 C ATOM 1708 O ASP A 109 -13.762 13.396 1.323 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.448 10.684 0.022 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.791 10.988 0.656 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.602 11.691 0.019 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.030 10.524 1.791 1.00 0.00 O ATOM 0 H ASP A 109 -12.557 10.568 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.560 12.551 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.579 9.933 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.785 10.253 0.772 1.00 0.00 H new ATOM 1717 N THR A 110 -11.776 12.677 0.546 1.00 0.00 N ATOM 1718 CA THR A 110 -11.000 13.400 1.545 1.00 0.00 C ATOM 1719 C THR A 110 -10.655 14.804 1.062 1.00 0.00 C ATOM 1720 O THR A 110 -10.985 15.795 1.715 1.00 0.00 O ATOM 1721 CB THR A 110 -9.697 12.655 1.892 1.00 0.00 C ATOM 1722 OG1 THR A 110 -9.981 11.281 2.180 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.008 13.296 3.087 1.00 0.00 C ATOM 0 H THR A 110 -11.216 12.136 -0.113 1.00 0.00 H new ATOM 0 HA THR A 110 -11.620 13.468 2.439 1.00 0.00 H new ATOM 0 HB THR A 110 -9.030 12.716 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.243 10.821 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.091 12.752 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.767 14.333 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.672 13.262 3.951 1.00 0.00 H new ATOM 1731 N PHE A 111 -9.989 14.884 -0.086 1.00 0.00 N ATOM 1732 CA PHE A 111 -9.599 16.168 -0.656 1.00 0.00 C ATOM 1733 C PHE A 111 -10.208 16.355 -2.042 1.00 0.00 C ATOM 1734 O PHE A 111 -11.059 17.220 -2.248 1.00 0.00 O ATOM 1735 CB PHE A 111 -8.075 16.271 -0.738 1.00 0.00 C ATOM 1736 CG PHE A 111 -7.374 15.795 0.502 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -7.225 16.633 1.595 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -6.863 14.509 0.574 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -6.581 16.198 2.738 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -6.218 14.068 1.714 1.00 0.00 C ATOM 1741 CZ PHE A 111 -6.076 14.914 2.797 1.00 0.00 C ATOM 0 H PHE A 111 -9.708 14.074 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.975 16.956 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.725 15.688 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.799 17.308 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.617 17.639 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.970 13.844 -0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.473 16.861 3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.825 13.063 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.571 14.572 3.688 1.00 0.00 H new ATOM 1751 N LYS A 112 -9.766 15.537 -2.992 1.00 0.00 N ATOM 1752 CA LYS A 112 -10.266 15.609 -4.359 1.00 0.00 C ATOM 1753 C LYS A 112 -11.725 15.169 -4.429 1.00 0.00 C ATOM 1754 O LYS A 112 -12.601 15.948 -4.804 1.00 0.00 O ATOM 1755 CB LYS A 112 -9.414 14.736 -5.283 1.00 0.00 C ATOM 1756 CG LYS A 112 -7.979 15.216 -5.420 1.00 0.00 C ATOM 1757 CD LYS A 112 -7.840 16.254 -6.521 1.00 0.00 C ATOM 1758 CE LYS A 112 -7.845 15.609 -7.898 1.00 0.00 C ATOM 1759 NZ LYS A 112 -7.285 16.517 -8.937 1.00 0.00 N ATOM 0 H LYS A 112 -9.061 14.816 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.201 16.646 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.412 13.714 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.875 14.709 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.645 15.641 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.330 14.367 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.657 16.972 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.914 16.811 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.264 14.687 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.865 15.335 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.306 16.041 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.855 17.386 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.303 16.759 -8.694 1.00 0.00 H new TER 1773 LYS A 112