USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 914 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 102 LYS NZ :NH3+ 146:sc= 0.178 (180deg=0) USER MOD Set 1.2: A 126 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 SER OG : rot -160:sc= -0.121 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.506 K(o=-0.63,f=-5.4!) USER MOD Single : A 12 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 70:sc= -2.41 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 42:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.93 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= 0.185 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.064) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.407 X(o=-0.41,f=0.018) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.175 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -144:sc= -1.7 (180deg=-3.43!) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.17) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 139:sc= 1.22 (180deg=-0.633) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -5.994 -13.445 -11.320 1.00 0.00 N ATOM 78 CA ILE A 6 -5.583 -12.364 -10.432 1.00 0.00 C ATOM 79 C ILE A 6 -6.632 -11.256 -10.389 1.00 0.00 C ATOM 80 O ILE A 6 -7.014 -10.710 -11.425 1.00 0.00 O ATOM 81 CB ILE A 6 -4.230 -11.766 -10.871 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.767 -10.696 -9.880 1.00 0.00 C ATOM 83 CG2 ILE A 6 -4.335 -11.187 -12.274 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.377 -10.172 -10.165 1.00 0.00 C ATOM 0 HA ILE A 6 -5.477 -12.792 -9.435 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.488 -12.564 -10.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.471 -9.864 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.791 -11.110 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.372 -10.769 -12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.618 -11.975 -12.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.091 -10.402 -12.288 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.114 -9.417 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.662 -10.993 -10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.353 -9.728 -11.160 1.00 0.00 H new ATOM 96 N ILE A 7 -7.089 -10.927 -9.185 1.00 0.00 N ATOM 97 CA ILE A 7 -8.090 -9.882 -9.006 1.00 0.00 C ATOM 98 C ILE A 7 -7.426 -8.544 -8.677 1.00 0.00 C ATOM 99 O ILE A 7 -6.645 -8.452 -7.730 1.00 0.00 O ATOM 100 CB ILE A 7 -9.078 -10.239 -7.879 1.00 0.00 C ATOM 101 CG1 ILE A 7 -9.558 -11.684 -8.027 1.00 0.00 C ATOM 102 CG2 ILE A 7 -10.259 -9.279 -7.885 1.00 0.00 C ATOM 103 CD1 ILE A 7 -10.266 -11.954 -9.337 1.00 0.00 C ATOM 0 H ILE A 7 -6.782 -11.369 -8.319 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.637 -9.798 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.563 -10.145 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.702 -12.353 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.232 -11.921 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.948 -9.545 -7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.901 -8.261 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.775 -9.343 -8.843 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.579 -12.998 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.142 -11.310 -9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.588 -11.749 -10.166 1.00 0.00 H new ATOM 115 N PRO A 8 -7.717 -7.485 -9.459 1.00 0.00 N ATOM 116 CA PRO A 8 -7.133 -6.160 -9.243 1.00 0.00 C ATOM 117 C PRO A 8 -7.782 -5.417 -8.078 1.00 0.00 C ATOM 118 O PRO A 8 -9.005 -5.419 -7.938 1.00 0.00 O ATOM 119 CB PRO A 8 -7.402 -5.414 -10.562 1.00 0.00 C ATOM 120 CG PRO A 8 -8.036 -6.407 -11.483 1.00 0.00 C ATOM 121 CD PRO A 8 -8.617 -7.487 -10.617 1.00 0.00 C ATOM 0 HA PRO A 8 -6.076 -6.230 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.059 -4.560 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.475 -5.027 -10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.812 -5.935 -12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.301 -6.819 -12.174 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.646 -7.268 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.625 -8.452 -11.123 1.00 0.00 H new ATOM 129 N ILE A 9 -6.960 -4.765 -7.253 1.00 0.00 N ATOM 130 CA ILE A 9 -7.461 -4.013 -6.125 1.00 0.00 C ATOM 131 C ILE A 9 -6.678 -2.716 -5.949 1.00 0.00 C ATOM 132 O ILE A 9 -5.633 -2.491 -6.569 1.00 0.00 O ATOM 133 CB ILE A 9 -7.415 -4.807 -4.800 1.00 0.00 C ATOM 134 CG1 ILE A 9 -7.444 -6.319 -5.053 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.578 -4.405 -3.907 1.00 0.00 C ATOM 136 CD1 ILE A 9 -6.840 -7.130 -3.926 1.00 0.00 C ATOM 0 H ILE A 9 -5.945 -4.749 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.505 -3.797 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.477 -4.567 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.476 -6.635 -5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.905 -6.536 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.535 -4.971 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.516 -3.339 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.518 -4.616 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.894 -8.191 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.798 -6.842 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.393 -6.942 -3.006 1.00 0.00 H new ATOM 148 N ALA A 10 -7.206 -1.884 -5.086 1.00 0.00 N ATOM 149 CA ALA A 10 -6.627 -0.580 -4.771 1.00 0.00 C ATOM 150 C ALA A 10 -6.736 0.370 -5.963 1.00 0.00 C ATOM 151 O ALA A 10 -7.678 1.157 -6.051 1.00 0.00 O ATOM 152 CB ALA A 10 -5.184 -0.719 -4.319 1.00 0.00 C ATOM 0 H ALA A 10 -8.062 -2.086 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.197 -0.152 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.778 0.266 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.141 -1.345 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.596 -1.179 -5.114 1.00 0.00 H new ATOM 158 N GLU A 11 -5.776 0.289 -6.883 1.00 0.00 N ATOM 159 CA GLU A 11 -5.774 1.141 -8.069 1.00 0.00 C ATOM 160 C GLU A 11 -5.832 2.620 -7.692 1.00 0.00 C ATOM 161 O GLU A 11 -6.868 3.118 -7.250 1.00 0.00 O ATOM 162 CB GLU A 11 -6.955 0.790 -8.977 1.00 0.00 C ATOM 163 CG GLU A 11 -6.760 -0.500 -9.758 1.00 0.00 C ATOM 164 CD GLU A 11 -5.793 -0.339 -10.915 1.00 0.00 C ATOM 165 OE1 GLU A 11 -6.242 0.045 -12.016 1.00 0.00 O ATOM 166 OE2 GLU A 11 -4.586 -0.596 -10.722 1.00 0.00 O ATOM 0 H GLU A 11 -4.990 -0.359 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.842 0.962 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.856 0.705 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.119 1.608 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.392 -1.275 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.723 -0.839 -10.139 1.00 0.00 H new ATOM 173 N ASN A 12 -4.715 3.317 -7.871 1.00 0.00 N ATOM 174 CA ASN A 12 -4.643 4.739 -7.550 1.00 0.00 C ATOM 175 C ASN A 12 -3.326 5.341 -8.030 1.00 0.00 C ATOM 176 O ASN A 12 -2.261 5.045 -7.487 1.00 0.00 O ATOM 177 CB ASN A 12 -4.798 4.951 -6.042 1.00 0.00 C ATOM 178 CG ASN A 12 -5.822 6.019 -5.712 1.00 0.00 C ATOM 179 OD1 ASN A 12 -5.564 6.915 -4.907 1.00 0.00 O ATOM 180 ND2 ASN A 12 -6.993 5.931 -6.334 1.00 0.00 N ATOM 0 H ASN A 12 -3.848 2.922 -8.236 1.00 0.00 H new ATOM 0 HA ASN A 12 -5.459 5.244 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.093 4.012 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.835 5.231 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.720 6.622 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.164 5.172 -6.994 1.00 0.00 H new ATOM 187 N LYS A 13 -3.407 6.190 -9.050 1.00 0.00 N ATOM 188 CA LYS A 13 -2.221 6.835 -9.605 1.00 0.00 C ATOM 189 C LYS A 13 -2.101 8.273 -9.105 1.00 0.00 C ATOM 190 O LYS A 13 -1.590 9.144 -9.808 1.00 0.00 O ATOM 191 CB LYS A 13 -2.272 6.811 -11.135 1.00 0.00 C ATOM 192 CG LYS A 13 -1.200 5.934 -11.763 1.00 0.00 C ATOM 193 CD LYS A 13 -1.780 5.016 -12.827 1.00 0.00 C ATOM 194 CE LYS A 13 -1.123 3.646 -12.798 1.00 0.00 C ATOM 195 NZ LYS A 13 0.269 3.685 -13.324 1.00 0.00 N ATOM 0 H LYS A 13 -4.281 6.447 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.343 6.281 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.253 6.456 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.164 7.829 -11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.428 6.563 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.719 5.336 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.854 4.909 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.644 5.465 -13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.114 3.270 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.715 2.947 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.681 2.731 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.259 4.020 -14.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.841 4.332 -12.744 1.00 0.00 H new ATOM 209 N GLU A 14 -2.574 8.512 -7.887 1.00 0.00 N ATOM 210 CA GLU A 14 -2.521 9.843 -7.291 1.00 0.00 C ATOM 211 C GLU A 14 -1.086 10.230 -6.950 1.00 0.00 C ATOM 212 O GLU A 14 -0.624 11.316 -7.299 1.00 0.00 O ATOM 213 CB GLU A 14 -3.390 9.896 -6.032 1.00 0.00 C ATOM 214 CG GLU A 14 -4.193 11.179 -5.902 1.00 0.00 C ATOM 215 CD GLU A 14 -5.659 10.986 -6.236 1.00 0.00 C ATOM 216 OE1 GLU A 14 -6.199 9.901 -5.930 1.00 0.00 O ATOM 217 OE2 GLU A 14 -6.267 11.917 -6.802 1.00 0.00 O ATOM 0 H GLU A 14 -2.999 7.801 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.906 10.556 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.074 9.048 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.752 9.786 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.103 11.558 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.770 11.936 -6.562 1.00 0.00 H new ATOM 224 N ALA A 15 -0.386 9.334 -6.259 1.00 0.00 N ATOM 225 CA ALA A 15 0.997 9.577 -5.861 1.00 0.00 C ATOM 226 C ALA A 15 1.855 10.000 -7.049 1.00 0.00 C ATOM 227 O ALA A 15 2.575 10.994 -6.982 1.00 0.00 O ATOM 228 CB ALA A 15 1.579 8.334 -5.207 1.00 0.00 C ATOM 0 H ALA A 15 -0.756 8.431 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 15 1.000 10.396 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.611 8.526 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.993 8.079 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.551 7.504 -5.913 1.00 0.00 H new ATOM 234 N LYS A 16 1.777 9.236 -8.134 1.00 0.00 N ATOM 235 CA LYS A 16 2.549 9.525 -9.339 1.00 0.00 C ATOM 236 C LYS A 16 2.311 10.954 -9.825 1.00 0.00 C ATOM 237 O LYS A 16 3.256 11.691 -10.107 1.00 0.00 O ATOM 238 CB LYS A 16 2.188 8.533 -10.447 1.00 0.00 C ATOM 239 CG LYS A 16 3.239 8.436 -11.543 1.00 0.00 C ATOM 240 CD LYS A 16 2.688 8.886 -12.887 1.00 0.00 C ATOM 241 CE LYS A 16 3.727 9.659 -13.684 1.00 0.00 C ATOM 242 NZ LYS A 16 3.553 9.472 -15.151 1.00 0.00 N ATOM 0 H LYS A 16 1.185 8.409 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 16 3.605 9.423 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.042 7.547 -10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.237 8.828 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.100 9.050 -11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.592 7.408 -11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.363 8.016 -13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.809 9.511 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.655 10.719 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.725 9.332 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.280 10.015 -15.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.647 8.463 -15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.610 9.807 -15.434 1.00 0.00 H new ATOM 256 N ALA A 17 1.044 11.332 -9.938 1.00 0.00 N ATOM 257 CA ALA A 17 0.681 12.666 -10.405 1.00 0.00 C ATOM 258 C ALA A 17 1.293 13.761 -9.533 1.00 0.00 C ATOM 259 O ALA A 17 2.164 14.508 -9.978 1.00 0.00 O ATOM 260 CB ALA A 17 -0.832 12.811 -10.448 1.00 0.00 C ATOM 0 H ALA A 17 0.249 10.734 -9.713 1.00 0.00 H new ATOM 0 HA ALA A 17 1.084 12.785 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.092 13.810 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.250 12.068 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.241 12.659 -9.449 1.00 0.00 H new ATOM 266 N LYS A 18 0.821 13.861 -8.294 1.00 0.00 N ATOM 267 CA LYS A 18 1.309 14.878 -7.366 1.00 0.00 C ATOM 268 C LYS A 18 2.768 14.648 -6.976 1.00 0.00 C ATOM 269 O LYS A 18 3.431 15.556 -6.475 1.00 0.00 O ATOM 270 CB LYS A 18 0.434 14.907 -6.111 1.00 0.00 C ATOM 271 CG LYS A 18 0.092 16.313 -5.642 1.00 0.00 C ATOM 272 CD LYS A 18 -0.275 16.336 -4.166 1.00 0.00 C ATOM 273 CE LYS A 18 0.436 17.461 -3.431 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.390 18.698 -3.376 1.00 0.00 N ATOM 0 H LYS A 18 0.101 13.250 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 18 1.252 15.839 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.490 14.364 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.948 14.379 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.942 16.972 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.739 16.702 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.353 16.456 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.014 15.381 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.674 17.139 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.382 17.678 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.130 19.441 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.597 19.021 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.282 18.498 -2.880 1.00 0.00 H new ATOM 288 N TYR A 19 3.268 13.436 -7.199 1.00 0.00 N ATOM 289 CA TYR A 19 4.648 13.109 -6.859 1.00 0.00 C ATOM 290 C TYR A 19 5.264 12.177 -7.895 1.00 0.00 C ATOM 291 O TYR A 19 4.697 11.136 -8.225 1.00 0.00 O ATOM 292 CB TYR A 19 4.712 12.463 -5.473 1.00 0.00 C ATOM 293 CG TYR A 19 4.065 13.295 -4.387 1.00 0.00 C ATOM 294 CD1 TYR A 19 4.801 14.233 -3.673 1.00 0.00 C ATOM 295 CD2 TYR A 19 2.720 13.141 -4.076 1.00 0.00 C ATOM 296 CE1 TYR A 19 4.213 14.994 -2.681 1.00 0.00 C ATOM 297 CE2 TYR A 19 2.125 13.899 -3.086 1.00 0.00 C ATOM 298 CZ TYR A 19 2.876 14.824 -2.390 1.00 0.00 C ATOM 299 OH TYR A 19 2.287 15.580 -1.403 1.00 0.00 O ATOM 0 H TYR A 19 2.740 12.667 -7.612 1.00 0.00 H new ATOM 0 HA TYR A 19 5.221 14.036 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.224 11.489 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.755 12.287 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.849 14.369 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.129 12.417 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.798 15.719 -2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.077 13.768 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 19 1.341 15.337 -1.326 1.00 0.00 H new ATOM 309 N ASP A 20 6.431 12.556 -8.404 1.00 0.00 N ATOM 310 CA ASP A 20 7.126 11.753 -9.403 1.00 0.00 C ATOM 311 C ASP A 20 7.735 10.506 -8.772 1.00 0.00 C ATOM 312 O ASP A 20 8.506 10.596 -7.815 1.00 0.00 O ATOM 313 CB ASP A 20 8.218 12.580 -10.082 1.00 0.00 C ATOM 314 CG ASP A 20 8.457 12.156 -11.518 1.00 0.00 C ATOM 315 OD1 ASP A 20 8.803 10.976 -11.739 1.00 0.00 O ATOM 316 OD2 ASP A 20 8.296 13.003 -12.422 1.00 0.00 O ATOM 0 H ASP A 20 6.916 13.414 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 20 6.398 11.440 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.939 13.633 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.146 12.484 -9.519 1.00 0.00 H new ATOM 321 N ILE A 21 7.383 9.344 -9.317 1.00 0.00 N ATOM 322 CA ILE A 21 7.889 8.072 -8.812 1.00 0.00 C ATOM 323 C ILE A 21 9.104 7.607 -9.609 1.00 0.00 C ATOM 324 O ILE A 21 9.199 7.850 -10.812 1.00 0.00 O ATOM 325 CB ILE A 21 6.796 6.984 -8.861 1.00 0.00 C ATOM 326 CG1 ILE A 21 7.305 5.673 -8.242 1.00 0.00 C ATOM 327 CG2 ILE A 21 6.321 6.767 -10.292 1.00 0.00 C ATOM 328 CD1 ILE A 21 8.149 4.825 -9.174 1.00 0.00 C ATOM 0 H ILE A 21 6.748 9.258 -10.110 1.00 0.00 H new ATOM 0 HA ILE A 21 8.187 8.231 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 21 5.945 7.324 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.892 5.909 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.449 5.085 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.550 5.996 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.911 7.698 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.161 6.452 -10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.465 3.920 -8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.562 4.554 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.027 5.391 -9.485 1.00 0.00 H new ATOM 340 N LEU A 22 10.031 6.937 -8.930 1.00 0.00 N ATOM 341 CA LEU A 22 11.239 6.437 -9.577 1.00 0.00 C ATOM 342 C LEU A 22 11.514 4.988 -9.183 1.00 0.00 C ATOM 343 O LEU A 22 11.815 4.150 -10.033 1.00 0.00 O ATOM 344 CB LEU A 22 12.438 7.314 -9.211 1.00 0.00 C ATOM 345 CG LEU A 22 12.666 8.516 -10.132 1.00 0.00 C ATOM 346 CD1 LEU A 22 12.606 9.816 -9.343 1.00 0.00 C ATOM 347 CD2 LEU A 22 13.999 8.393 -10.856 1.00 0.00 C ATOM 0 H LEU A 22 9.969 6.728 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 22 11.083 6.475 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.306 7.676 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.336 6.696 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 22 11.871 8.529 -10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.770 10.658 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.627 9.912 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.378 9.810 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.142 9.257 -11.505 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.807 8.351 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.004 7.483 -11.456 1.00 0.00 H new ATOM 359 N GLU A 23 11.410 4.699 -7.888 1.00 0.00 N ATOM 360 CA GLU A 23 11.649 3.350 -7.383 1.00 0.00 C ATOM 361 C GLU A 23 10.439 2.833 -6.612 1.00 0.00 C ATOM 362 O GLU A 23 9.683 3.612 -6.031 1.00 0.00 O ATOM 363 CB GLU A 23 12.886 3.335 -6.482 1.00 0.00 C ATOM 364 CG GLU A 23 13.538 1.968 -6.365 1.00 0.00 C ATOM 365 CD GLU A 23 15.051 2.049 -6.303 1.00 0.00 C ATOM 366 OE1 GLU A 23 15.578 2.519 -5.271 1.00 0.00 O ATOM 367 OE2 GLU A 23 15.708 1.643 -7.284 1.00 0.00 O ATOM 0 H GLU A 23 11.162 5.380 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 23 11.819 2.694 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.617 4.044 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.605 3.680 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.167 1.468 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.245 1.355 -7.217 1.00 0.00 H new ATOM 374 N THR A 24 10.260 1.515 -6.609 1.00 0.00 N ATOM 375 CA THR A 24 9.140 0.895 -5.907 1.00 0.00 C ATOM 376 C THR A 24 9.570 -0.406 -5.234 1.00 0.00 C ATOM 377 O THR A 24 10.683 -0.888 -5.449 1.00 0.00 O ATOM 378 CB THR A 24 7.990 0.624 -6.879 1.00 0.00 C ATOM 379 OG1 THR A 24 8.318 -0.437 -7.760 1.00 0.00 O ATOM 380 CG2 THR A 24 7.624 1.825 -7.724 1.00 0.00 C ATOM 0 H THR A 24 10.876 0.856 -7.085 1.00 0.00 H new ATOM 0 HA THR A 24 8.800 1.586 -5.135 1.00 0.00 H new ATOM 0 HB THR A 24 7.136 0.368 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.570 -0.597 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.802 1.564 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.319 2.646 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.487 2.131 -8.315 1.00 0.00 H new ATOM 388 N TYR A 25 8.682 -0.971 -4.420 1.00 0.00 N ATOM 389 CA TYR A 25 8.975 -2.219 -3.720 1.00 0.00 C ATOM 390 C TYR A 25 7.782 -3.170 -3.777 1.00 0.00 C ATOM 391 O TYR A 25 6.701 -2.799 -4.233 1.00 0.00 O ATOM 392 CB TYR A 25 9.362 -1.938 -2.269 1.00 0.00 C ATOM 393 CG TYR A 25 10.829 -2.173 -1.989 1.00 0.00 C ATOM 394 CD1 TYR A 25 11.761 -1.162 -2.182 1.00 0.00 C ATOM 395 CD2 TYR A 25 11.281 -3.406 -1.539 1.00 0.00 C ATOM 396 CE1 TYR A 25 13.103 -1.374 -1.935 1.00 0.00 C ATOM 397 CE2 TYR A 25 12.621 -3.626 -1.289 1.00 0.00 C ATOM 398 CZ TYR A 25 13.529 -2.607 -1.488 1.00 0.00 C ATOM 399 OH TYR A 25 14.865 -2.822 -1.242 1.00 0.00 O ATOM 0 H TYR A 25 7.757 -0.586 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 25 9.816 -2.699 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.113 -0.905 -2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.767 -2.572 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.431 -0.195 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.573 -4.206 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.816 -0.578 -2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.956 -4.591 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 25 15.137 -2.315 -0.449 1.00 0.00 H new ATOM 409 N GLU A 26 7.986 -4.401 -3.312 1.00 0.00 N ATOM 410 CA GLU A 26 6.927 -5.404 -3.321 1.00 0.00 C ATOM 411 C GLU A 26 6.717 -6.007 -1.934 1.00 0.00 C ATOM 412 O GLU A 26 7.667 -6.433 -1.279 1.00 0.00 O ATOM 413 CB GLU A 26 7.259 -6.509 -4.327 1.00 0.00 C ATOM 414 CG GLU A 26 6.303 -6.564 -5.507 1.00 0.00 C ATOM 415 CD GLU A 26 5.290 -7.685 -5.384 1.00 0.00 C ATOM 416 OE1 GLU A 26 5.710 -8.860 -5.333 1.00 0.00 O ATOM 417 OE2 GLU A 26 4.078 -7.389 -5.338 1.00 0.00 O ATOM 0 H GLU A 26 8.872 -4.726 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 26 6.001 -4.911 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.273 -6.359 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.247 -7.471 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.778 -5.612 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.874 -6.694 -6.427 1.00 0.00 H new ATOM 424 N ALA A 27 5.463 -6.049 -1.500 1.00 0.00 N ATOM 425 CA ALA A 27 5.119 -6.611 -0.200 1.00 0.00 C ATOM 426 C ALA A 27 3.896 -7.518 -0.310 1.00 0.00 C ATOM 427 O ALA A 27 3.094 -7.378 -1.232 1.00 0.00 O ATOM 428 CB ALA A 27 4.875 -5.497 0.807 1.00 0.00 C ATOM 0 H ALA A 27 4.666 -5.699 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 27 5.956 -7.215 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.619 -5.930 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.777 -4.893 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.054 -4.868 0.462 1.00 0.00 H new ATOM 434 N GLY A 28 3.758 -8.450 0.627 1.00 0.00 N ATOM 435 CA GLY A 28 2.625 -9.361 0.604 1.00 0.00 C ATOM 436 C GLY A 28 1.826 -9.322 1.890 1.00 0.00 C ATOM 437 O GLY A 28 2.377 -9.513 2.974 1.00 0.00 O ATOM 0 H GLY A 28 4.408 -8.592 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.974 -9.106 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.982 -10.376 0.432 1.00 0.00 H new ATOM 441 N ILE A 29 0.526 -9.071 1.780 1.00 0.00 N ATOM 442 CA ILE A 29 -0.334 -9.006 2.958 1.00 0.00 C ATOM 443 C ILE A 29 -1.048 -10.332 3.204 1.00 0.00 C ATOM 444 O ILE A 29 -1.031 -11.227 2.358 1.00 0.00 O ATOM 445 CB ILE A 29 -1.392 -7.876 2.867 1.00 0.00 C ATOM 446 CG1 ILE A 29 -1.578 -7.404 1.422 1.00 0.00 C ATOM 447 CG2 ILE A 29 -1.006 -6.707 3.764 1.00 0.00 C ATOM 448 CD1 ILE A 29 -2.758 -6.475 1.238 1.00 0.00 C ATOM 0 H ILE A 29 0.046 -8.910 0.894 1.00 0.00 H new ATOM 0 HA ILE A 29 0.331 -8.787 3.793 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.343 -8.281 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.671 -6.896 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.706 -8.274 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.761 -5.924 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.941 -7.047 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.040 -6.312 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.829 -6.181 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.674 -6.987 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.622 -5.587 1.856 1.00 0.00 H new ATOM 460 N VAL A 30 -1.678 -10.446 4.371 1.00 0.00 N ATOM 461 CA VAL A 30 -2.405 -11.653 4.745 1.00 0.00 C ATOM 462 C VAL A 30 -3.493 -11.331 5.764 1.00 0.00 C ATOM 463 O VAL A 30 -3.269 -10.567 6.703 1.00 0.00 O ATOM 464 CB VAL A 30 -1.464 -12.723 5.331 1.00 0.00 C ATOM 465 CG1 VAL A 30 -2.213 -14.027 5.558 1.00 0.00 C ATOM 466 CG2 VAL A 30 -0.268 -12.941 4.416 1.00 0.00 C ATOM 0 H VAL A 30 -1.698 -9.710 5.077 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.859 -12.048 3.836 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.097 -12.369 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.532 -14.770 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.034 -13.859 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.611 -14.388 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.386 -13.700 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.614 -13.273 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.283 -12.007 4.308 1.00 0.00 H new ATOM 476 N LEU A 31 -4.673 -11.910 5.571 1.00 0.00 N ATOM 477 CA LEU A 31 -5.798 -11.675 6.472 1.00 0.00 C ATOM 478 C LEU A 31 -6.594 -12.957 6.708 1.00 0.00 C ATOM 479 O LEU A 31 -6.202 -14.034 6.259 1.00 0.00 O ATOM 480 CB LEU A 31 -6.708 -10.588 5.898 1.00 0.00 C ATOM 481 CG LEU A 31 -6.981 -10.706 4.398 1.00 0.00 C ATOM 482 CD1 LEU A 31 -8.267 -11.474 4.151 1.00 0.00 C ATOM 483 CD2 LEU A 31 -7.046 -9.328 3.756 1.00 0.00 C ATOM 0 H LEU A 31 -4.876 -12.545 4.799 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.402 -11.343 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.659 -10.613 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.258 -9.615 6.096 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.159 -11.257 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.446 -11.549 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.180 -12.474 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.099 -10.951 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.241 -9.433 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.847 -8.750 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.096 -8.813 3.903 1.00 0.00 H new ATOM 495 N LYS A 32 -7.711 -12.833 7.423 1.00 0.00 N ATOM 496 CA LYS A 32 -8.558 -13.982 7.729 1.00 0.00 C ATOM 497 C LYS A 32 -9.627 -14.192 6.660 1.00 0.00 C ATOM 498 O LYS A 32 -9.725 -13.425 5.702 1.00 0.00 O ATOM 499 CB LYS A 32 -9.220 -13.807 9.096 1.00 0.00 C ATOM 500 CG LYS A 32 -8.274 -13.290 10.170 1.00 0.00 C ATOM 501 CD LYS A 32 -8.097 -14.298 11.295 1.00 0.00 C ATOM 502 CE LYS A 32 -8.894 -13.905 12.528 1.00 0.00 C ATOM 503 NZ LYS A 32 -8.291 -14.449 13.776 1.00 0.00 N ATOM 0 H LYS A 32 -8.050 -11.948 7.801 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.919 -14.865 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.058 -13.117 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.631 -14.764 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.304 -13.067 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.660 -12.355 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.414 -15.284 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.041 -14.375 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.947 -12.818 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.917 -14.269 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.864 -14.159 14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.263 -15.487 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.324 -14.082 13.883 1.00 0.00 H new ATOM 517 N GLY A 33 -10.424 -15.243 6.837 1.00 0.00 N ATOM 518 CA GLY A 33 -11.479 -15.550 5.886 1.00 0.00 C ATOM 519 C GLY A 33 -12.685 -14.646 6.039 1.00 0.00 C ATOM 520 O GLY A 33 -13.629 -14.970 6.761 1.00 0.00 O ATOM 0 H GLY A 33 -10.358 -15.889 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.087 -15.458 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.789 -16.587 6.015 1.00 0.00 H new ATOM 524 N SER A 34 -12.654 -13.508 5.354 1.00 0.00 N ATOM 525 CA SER A 34 -13.746 -12.542 5.404 1.00 0.00 C ATOM 526 C SER A 34 -13.371 -11.285 4.630 1.00 0.00 C ATOM 527 O SER A 34 -14.185 -10.723 3.895 1.00 0.00 O ATOM 528 CB SER A 34 -14.083 -12.182 6.854 1.00 0.00 C ATOM 529 OG SER A 34 -15.088 -13.035 7.372 1.00 0.00 O ATOM 0 H SER A 34 -11.878 -13.230 4.753 1.00 0.00 H new ATOM 0 HA SER A 34 -14.625 -12.994 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.186 -12.257 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.419 -11.146 6.906 1.00 0.00 H new ATOM 0 HG SER A 34 -14.909 -13.958 7.095 1.00 0.00 H new ATOM 535 N GLU A 35 -12.125 -10.859 4.794 1.00 0.00 N ATOM 536 CA GLU A 35 -11.616 -9.681 4.110 1.00 0.00 C ATOM 537 C GLU A 35 -11.462 -9.951 2.618 1.00 0.00 C ATOM 538 O GLU A 35 -11.869 -9.145 1.781 1.00 0.00 O ATOM 539 CB GLU A 35 -10.280 -9.243 4.715 1.00 0.00 C ATOM 540 CG GLU A 35 -10.281 -7.803 5.205 1.00 0.00 C ATOM 541 CD GLU A 35 -9.937 -7.685 6.677 1.00 0.00 C ATOM 542 OE1 GLU A 35 -9.086 -8.468 7.152 1.00 0.00 O ATOM 543 OE2 GLU A 35 -10.517 -6.812 7.356 1.00 0.00 O ATOM 0 H GLU A 35 -11.445 -11.317 5.400 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.335 -8.873 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.033 -9.902 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.495 -9.364 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.565 -7.225 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.263 -7.365 5.029 1.00 0.00 H new ATOM 550 N VAL A 36 -10.848 -11.086 2.297 1.00 0.00 N ATOM 551 CA VAL A 36 -10.603 -11.472 0.911 1.00 0.00 C ATOM 552 C VAL A 36 -11.853 -11.333 0.045 1.00 0.00 C ATOM 553 O VAL A 36 -11.803 -10.747 -1.035 1.00 0.00 O ATOM 554 CB VAL A 36 -10.108 -12.929 0.821 1.00 0.00 C ATOM 555 CG1 VAL A 36 -9.680 -13.264 -0.600 1.00 0.00 C ATOM 556 CG2 VAL A 36 -8.968 -13.171 1.797 1.00 0.00 C ATOM 0 H VAL A 36 -10.509 -11.759 2.984 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.837 -10.793 0.538 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.934 -13.587 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.334 -14.297 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.527 -13.137 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.872 -12.598 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.634 -14.205 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.140 -12.503 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.312 -12.978 2.813 1.00 0.00 H new ATOM 566 N LYS A 37 -12.965 -11.884 0.512 1.00 0.00 N ATOM 567 CA LYS A 37 -14.217 -11.833 -0.238 1.00 0.00 C ATOM 568 C LYS A 37 -14.755 -10.410 -0.372 1.00 0.00 C ATOM 569 O LYS A 37 -15.116 -9.980 -1.467 1.00 0.00 O ATOM 570 CB LYS A 37 -15.266 -12.727 0.426 1.00 0.00 C ATOM 571 CG LYS A 37 -14.855 -14.188 0.507 1.00 0.00 C ATOM 572 CD LYS A 37 -15.737 -14.962 1.473 1.00 0.00 C ATOM 573 CE LYS A 37 -15.348 -14.693 2.918 1.00 0.00 C ATOM 574 NZ LYS A 37 -16.537 -14.645 3.814 1.00 0.00 N ATOM 0 H LYS A 37 -13.028 -12.372 1.406 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.006 -12.198 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.463 -12.357 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.201 -12.651 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.915 -14.639 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.815 -14.257 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.780 -14.685 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.657 -16.029 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.666 -15.471 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.809 -13.747 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.229 -14.460 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.176 -13.886 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.037 -15.556 3.776 1.00 0.00 H new ATOM 588 N SER A 38 -14.826 -9.689 0.742 1.00 0.00 N ATOM 589 CA SER A 38 -15.347 -8.320 0.734 1.00 0.00 C ATOM 590 C SER A 38 -14.699 -7.473 -0.361 1.00 0.00 C ATOM 591 O SER A 38 -15.389 -6.830 -1.154 1.00 0.00 O ATOM 592 CB SER A 38 -15.120 -7.665 2.098 1.00 0.00 C ATOM 593 OG SER A 38 -16.089 -6.663 2.351 1.00 0.00 O ATOM 0 H SER A 38 -14.532 -10.024 1.659 1.00 0.00 H new ATOM 0 HA SER A 38 -16.416 -8.375 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.163 -8.423 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.122 -7.227 2.133 1.00 0.00 H new ATOM 0 HG SER A 38 -15.923 -6.261 3.229 1.00 0.00 H new ATOM 599 N LEU A 39 -13.373 -7.468 -0.396 1.00 0.00 N ATOM 600 CA LEU A 39 -12.637 -6.694 -1.389 1.00 0.00 C ATOM 601 C LEU A 39 -12.779 -7.288 -2.791 1.00 0.00 C ATOM 602 O LEU A 39 -13.067 -6.562 -3.746 1.00 0.00 O ATOM 603 CB LEU A 39 -11.162 -6.587 -1.005 1.00 0.00 C ATOM 604 CG LEU A 39 -10.902 -6.058 0.408 1.00 0.00 C ATOM 605 CD1 LEU A 39 -9.799 -6.854 1.086 1.00 0.00 C ATOM 606 CD2 LEU A 39 -10.545 -4.579 0.365 1.00 0.00 C ATOM 0 H LEU A 39 -12.784 -7.991 0.252 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.070 -5.694 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.705 -7.572 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.662 -5.934 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.815 -6.176 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.631 -6.461 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.094 -7.901 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.881 -6.771 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.363 -4.219 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.647 -4.439 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.369 -4.019 -0.077 1.00 0.00 H new ATOM 618 N ARG A 40 -12.568 -8.601 -2.915 1.00 0.00 N ATOM 619 CA ARG A 40 -12.659 -9.276 -4.211 1.00 0.00 C ATOM 620 C ARG A 40 -13.948 -8.903 -4.942 1.00 0.00 C ATOM 621 O ARG A 40 -13.913 -8.460 -6.090 1.00 0.00 O ATOM 622 CB ARG A 40 -12.601 -10.794 -4.025 1.00 0.00 C ATOM 623 CG ARG A 40 -12.090 -11.538 -5.249 1.00 0.00 C ATOM 624 CD ARG A 40 -13.125 -11.564 -6.363 1.00 0.00 C ATOM 625 NE ARG A 40 -14.375 -12.189 -5.936 1.00 0.00 N ATOM 626 CZ ARG A 40 -15.428 -12.358 -6.733 1.00 0.00 C ATOM 627 NH1 ARG A 40 -15.389 -11.946 -7.994 1.00 0.00 N ATOM 628 NH2 ARG A 40 -16.525 -12.941 -6.267 1.00 0.00 N ATOM 0 H ARG A 40 -12.334 -9.216 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.811 -8.949 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.957 -11.023 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.598 -11.160 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.178 -11.062 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.828 -12.559 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.324 -10.545 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.723 -12.106 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.445 -12.515 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.549 -11.497 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.199 -12.079 -8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.561 -13.259 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.332 -13.071 -6.877 1.00 0.00 H new ATOM 642 N GLU A 41 -15.085 -9.090 -4.276 1.00 0.00 N ATOM 643 CA GLU A 41 -16.380 -8.776 -4.876 1.00 0.00 C ATOM 644 C GLU A 41 -16.443 -7.319 -5.333 1.00 0.00 C ATOM 645 O GLU A 41 -16.637 -7.046 -6.517 1.00 0.00 O ATOM 646 CB GLU A 41 -17.521 -9.072 -3.897 1.00 0.00 C ATOM 647 CG GLU A 41 -17.253 -8.607 -2.477 1.00 0.00 C ATOM 648 CD GLU A 41 -18.132 -7.439 -2.068 1.00 0.00 C ATOM 649 OE1 GLU A 41 -19.299 -7.678 -1.693 1.00 0.00 O ATOM 650 OE2 GLU A 41 -17.651 -6.288 -2.125 1.00 0.00 O ATOM 0 H GLU A 41 -15.137 -9.456 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.497 -9.413 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.430 -8.593 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.708 -10.146 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -17.416 -9.437 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -16.206 -8.318 -2.385 1.00 0.00 H new ATOM 769 N ASP A 49 -6.013 9.238 1.716 1.00 0.00 N ATOM 770 CA ASP A 49 -5.480 9.403 3.065 1.00 0.00 C ATOM 771 C ASP A 49 -4.734 8.153 3.534 1.00 0.00 C ATOM 772 O ASP A 49 -4.457 7.996 4.724 1.00 0.00 O ATOM 773 CB ASP A 49 -6.607 9.744 4.043 1.00 0.00 C ATOM 774 CG ASP A 49 -6.423 11.105 4.685 1.00 0.00 C ATOM 775 OD1 ASP A 49 -5.843 11.997 4.030 1.00 0.00 O ATOM 776 OD2 ASP A 49 -6.858 11.280 5.842 1.00 0.00 O ATOM 0 HA ASP A 49 -4.766 10.226 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.561 9.720 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.653 8.982 4.821 1.00 0.00 H new ATOM 781 N SER A 50 -4.407 7.267 2.597 1.00 0.00 N ATOM 782 CA SER A 50 -3.688 6.040 2.924 1.00 0.00 C ATOM 783 C SER A 50 -2.247 6.110 2.424 1.00 0.00 C ATOM 784 O SER A 50 -1.999 6.417 1.258 1.00 0.00 O ATOM 785 CB SER A 50 -4.395 4.830 2.312 1.00 0.00 C ATOM 786 OG SER A 50 -3.546 3.694 2.301 1.00 0.00 O ATOM 0 H SER A 50 -4.628 7.376 1.607 1.00 0.00 H new ATOM 0 HA SER A 50 -3.675 5.931 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.298 4.607 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.708 5.064 1.294 1.00 0.00 H new ATOM 0 HG SER A 50 -3.875 3.046 1.644 1.00 0.00 H new ATOM 792 N PHE A 51 -1.299 5.822 3.312 1.00 0.00 N ATOM 793 CA PHE A 51 0.118 5.856 2.957 1.00 0.00 C ATOM 794 C PHE A 51 0.830 4.592 3.435 1.00 0.00 C ATOM 795 O PHE A 51 0.264 3.796 4.182 1.00 0.00 O ATOM 796 CB PHE A 51 0.787 7.093 3.557 1.00 0.00 C ATOM 797 CG PHE A 51 0.000 8.358 3.362 1.00 0.00 C ATOM 798 CD1 PHE A 51 -1.012 8.702 4.244 1.00 0.00 C ATOM 799 CD2 PHE A 51 0.270 9.200 2.296 1.00 0.00 C ATOM 800 CE1 PHE A 51 -1.738 9.865 4.066 1.00 0.00 C ATOM 801 CE2 PHE A 51 -0.453 10.364 2.113 1.00 0.00 C ATOM 802 CZ PHE A 51 -1.459 10.697 2.999 1.00 0.00 C ATOM 0 H PHE A 51 -1.485 5.563 4.281 1.00 0.00 H new ATOM 0 HA PHE A 51 0.194 5.904 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.940 6.931 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.773 7.216 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.236 8.055 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.055 8.944 1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.523 10.123 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.231 11.012 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.026 11.605 2.858 1.00 0.00 H new ATOM 812 N VAL A 52 2.074 4.415 2.996 1.00 0.00 N ATOM 813 CA VAL A 52 2.860 3.246 3.378 1.00 0.00 C ATOM 814 C VAL A 52 4.190 3.646 4.009 1.00 0.00 C ATOM 815 O VAL A 52 4.949 4.432 3.442 1.00 0.00 O ATOM 816 CB VAL A 52 3.141 2.335 2.168 1.00 0.00 C ATOM 817 CG1 VAL A 52 3.830 1.052 2.609 1.00 0.00 C ATOM 818 CG2 VAL A 52 1.853 2.028 1.417 1.00 0.00 C ATOM 0 H VAL A 52 2.558 5.065 2.377 1.00 0.00 H new ATOM 0 HA VAL A 52 2.264 2.701 4.110 1.00 0.00 H new ATOM 0 HB VAL A 52 3.812 2.863 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.019 0.423 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.776 1.295 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.189 0.518 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.073 1.383 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.154 1.523 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.408 2.958 1.062 1.00 0.00 H new ATOM 828 N ARG A 53 4.472 3.084 5.180 1.00 0.00 N ATOM 829 CA ARG A 53 5.715 3.364 5.887 1.00 0.00 C ATOM 830 C ARG A 53 6.462 2.067 6.177 1.00 0.00 C ATOM 831 O ARG A 53 5.911 1.146 6.777 1.00 0.00 O ATOM 832 CB ARG A 53 5.432 4.107 7.195 1.00 0.00 C ATOM 833 CG ARG A 53 5.435 5.619 7.048 1.00 0.00 C ATOM 834 CD ARG A 53 5.346 6.309 8.400 1.00 0.00 C ATOM 835 NE ARG A 53 6.434 5.913 9.290 1.00 0.00 N ATOM 836 CZ ARG A 53 7.668 6.407 9.218 1.00 0.00 C ATOM 837 NH1 ARG A 53 7.975 7.313 8.299 1.00 0.00 N ATOM 838 NH2 ARG A 53 8.599 5.995 10.068 1.00 0.00 N ATOM 0 H ARG A 53 3.854 2.430 5.660 1.00 0.00 H new ATOM 0 HA ARG A 53 6.336 3.996 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.463 3.790 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.179 3.821 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.344 5.934 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.595 5.927 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.369 7.389 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.391 6.070 8.867 1.00 0.00 H new ATOM 0 HE ARG A 53 6.237 5.217 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.264 7.635 7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.922 7.688 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.370 5.299 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.544 6.374 10.012 1.00 0.00 H new ATOM 852 N ILE A 54 7.715 1.992 5.741 1.00 0.00 N ATOM 853 CA ILE A 54 8.521 0.795 5.955 1.00 0.00 C ATOM 854 C ILE A 54 9.254 0.858 7.291 1.00 0.00 C ATOM 855 O ILE A 54 9.992 1.805 7.561 1.00 0.00 O ATOM 856 CB ILE A 54 9.555 0.596 4.828 1.00 0.00 C ATOM 857 CG1 ILE A 54 8.951 0.963 3.470 1.00 0.00 C ATOM 858 CG2 ILE A 54 10.053 -0.842 4.817 1.00 0.00 C ATOM 859 CD1 ILE A 54 7.696 0.187 3.135 1.00 0.00 C ATOM 0 H ILE A 54 8.193 2.741 5.240 1.00 0.00 H new ATOM 0 HA ILE A 54 7.831 -0.049 5.957 1.00 0.00 H new ATOM 0 HB ILE A 54 10.401 1.257 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.723 2.029 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.694 0.789 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.782 -0.968 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.521 -1.072 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.213 -1.517 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.324 0.500 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.922 -0.879 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.936 0.380 3.892 1.00 0.00 H new ATOM 871 N GLU A 55 9.049 -0.159 8.123 1.00 0.00 N ATOM 872 CA GLU A 55 9.692 -0.215 9.431 1.00 0.00 C ATOM 873 C GLU A 55 10.077 -1.645 9.799 1.00 0.00 C ATOM 874 O GLU A 55 9.764 -2.593 9.079 1.00 0.00 O ATOM 875 CB GLU A 55 8.769 0.367 10.503 1.00 0.00 C ATOM 876 CG GLU A 55 8.141 1.695 10.110 1.00 0.00 C ATOM 877 CD GLU A 55 7.083 2.152 11.093 1.00 0.00 C ATOM 878 OE1 GLU A 55 7.383 2.209 12.305 1.00 0.00 O ATOM 879 OE2 GLU A 55 5.954 2.452 10.653 1.00 0.00 O ATOM 0 H GLU A 55 8.444 -0.954 7.915 1.00 0.00 H new ATOM 0 HA GLU A 55 10.603 0.381 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.977 -0.351 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.335 0.501 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.920 2.455 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.696 1.603 9.119 1.00 0.00 H new ATOM 886 N ASN A 56 10.763 -1.786 10.931 1.00 0.00 N ATOM 887 CA ASN A 56 11.198 -3.091 11.417 1.00 0.00 C ATOM 888 C ASN A 56 12.012 -3.838 10.359 1.00 0.00 C ATOM 889 O ASN A 56 13.233 -3.693 10.296 1.00 0.00 O ATOM 890 CB ASN A 56 9.990 -3.925 11.855 1.00 0.00 C ATOM 891 CG ASN A 56 9.751 -3.855 13.350 1.00 0.00 C ATOM 892 OD1 ASN A 56 10.183 -4.728 14.102 1.00 0.00 O ATOM 893 ND2 ASN A 56 9.060 -2.810 13.790 1.00 0.00 N ATOM 0 H ASN A 56 11.030 -1.006 11.532 1.00 0.00 H new ATOM 0 HA ASN A 56 11.845 -2.930 12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.101 -3.575 11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.144 -4.964 11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.869 -2.708 14.787 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.720 -2.109 13.131 1.00 0.00 H new ATOM 900 N GLY A 57 11.339 -4.639 9.535 1.00 0.00 N ATOM 901 CA GLY A 57 12.040 -5.390 8.509 1.00 0.00 C ATOM 902 C GLY A 57 11.236 -5.574 7.232 1.00 0.00 C ATOM 903 O GLY A 57 11.745 -6.123 6.255 1.00 0.00 O ATOM 0 H GLY A 57 10.329 -4.780 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.973 -4.879 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.305 -6.370 8.906 1.00 0.00 H new ATOM 907 N GLU A 58 9.983 -5.124 7.228 1.00 0.00 N ATOM 908 CA GLU A 58 9.140 -5.261 6.048 1.00 0.00 C ATOM 909 C GLU A 58 8.281 -4.021 5.829 1.00 0.00 C ATOM 910 O GLU A 58 8.203 -3.145 6.690 1.00 0.00 O ATOM 911 CB GLU A 58 8.249 -6.497 6.178 1.00 0.00 C ATOM 912 CG GLU A 58 8.990 -7.731 6.665 1.00 0.00 C ATOM 913 CD GLU A 58 9.029 -7.827 8.178 1.00 0.00 C ATOM 914 OE1 GLU A 58 7.985 -8.159 8.779 1.00 0.00 O ATOM 915 OE2 GLU A 58 10.102 -7.569 8.763 1.00 0.00 O ATOM 0 H GLU A 58 9.535 -4.666 8.021 1.00 0.00 H new ATOM 0 HA GLU A 58 9.793 -5.375 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.434 -6.277 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.797 -6.713 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.510 -8.622 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.009 -7.714 6.279 1.00 0.00 H new ATOM 922 N ALA A 59 7.640 -3.953 4.665 1.00 0.00 N ATOM 923 CA ALA A 59 6.788 -2.822 4.328 1.00 0.00 C ATOM 924 C ALA A 59 5.470 -2.879 5.094 1.00 0.00 C ATOM 925 O ALA A 59 4.772 -3.894 5.077 1.00 0.00 O ATOM 926 CB ALA A 59 6.527 -2.786 2.830 1.00 0.00 C ATOM 0 H ALA A 59 7.696 -4.669 3.941 1.00 0.00 H new ATOM 0 HA ALA A 59 7.308 -1.909 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.889 -1.935 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.473 -2.689 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.032 -3.708 2.525 1.00 0.00 H new ATOM 932 N TRP A 60 5.138 -1.781 5.763 1.00 0.00 N ATOM 933 CA TRP A 60 3.905 -1.698 6.536 1.00 0.00 C ATOM 934 C TRP A 60 2.887 -0.816 5.823 1.00 0.00 C ATOM 935 O TRP A 60 3.252 0.158 5.164 1.00 0.00 O ATOM 936 CB TRP A 60 4.193 -1.154 7.934 1.00 0.00 C ATOM 937 CG TRP A 60 4.335 -2.234 8.959 1.00 0.00 C ATOM 938 CD1 TRP A 60 5.494 -2.821 9.379 1.00 0.00 C ATOM 939 CD2 TRP A 60 3.278 -2.862 9.687 1.00 0.00 C ATOM 940 NE1 TRP A 60 5.220 -3.778 10.325 1.00 0.00 N ATOM 941 CE2 TRP A 60 3.865 -3.821 10.533 1.00 0.00 C ATOM 942 CE3 TRP A 60 1.892 -2.703 9.704 1.00 0.00 C ATOM 943 CZ2 TRP A 60 3.109 -4.618 11.388 1.00 0.00 C ATOM 944 CZ3 TRP A 60 1.142 -3.495 10.551 1.00 0.00 C ATOM 945 CH2 TRP A 60 1.751 -4.442 11.385 1.00 0.00 C ATOM 0 H TRP A 60 5.707 -0.935 5.786 1.00 0.00 H new ATOM 0 HA TRP A 60 3.487 -2.700 6.631 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.108 -0.562 7.907 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.388 -0.482 8.230 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.481 -2.570 9.020 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.911 -4.362 10.796 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.414 -1.974 9.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.577 -5.349 12.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.068 -3.383 10.571 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.137 -5.045 12.038 1.00 0.00 H new ATOM 956 N LEU A 61 1.610 -1.164 5.948 1.00 0.00 N ATOM 957 CA LEU A 61 0.554 -0.397 5.297 1.00 0.00 C ATOM 958 C LEU A 61 -0.484 0.101 6.299 1.00 0.00 C ATOM 959 O LEU A 61 -1.090 -0.686 7.027 1.00 0.00 O ATOM 960 CB LEU A 61 -0.128 -1.254 4.225 1.00 0.00 C ATOM 961 CG LEU A 61 -0.015 -0.717 2.798 1.00 0.00 C ATOM 962 CD1 LEU A 61 -0.509 -1.751 1.798 1.00 0.00 C ATOM 963 CD2 LEU A 61 -0.797 0.580 2.655 1.00 0.00 C ATOM 0 H LEU A 61 1.283 -1.965 6.489 1.00 0.00 H new ATOM 0 HA LEU A 61 1.015 0.475 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.301 -2.255 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.184 -1.352 4.477 1.00 0.00 H new ATOM 0 HG LEU A 61 1.035 -0.512 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.421 -1.351 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.092 -2.656 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.553 -1.988 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.706 0.949 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.847 0.399 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.399 1.323 3.346 1.00 0.00 H new ATOM 975 N TYR A 62 -0.702 1.411 6.306 1.00 0.00 N ATOM 976 CA TYR A 62 -1.684 2.022 7.193 1.00 0.00 C ATOM 977 C TYR A 62 -2.640 2.898 6.390 1.00 0.00 C ATOM 978 O TYR A 62 -2.216 3.676 5.536 1.00 0.00 O ATOM 979 CB TYR A 62 -0.995 2.847 8.283 1.00 0.00 C ATOM 980 CG TYR A 62 -0.093 3.937 7.751 1.00 0.00 C ATOM 981 CD1 TYR A 62 1.167 3.640 7.247 1.00 0.00 C ATOM 982 CD2 TYR A 62 -0.499 5.266 7.757 1.00 0.00 C ATOM 983 CE1 TYR A 62 1.996 4.635 6.765 1.00 0.00 C ATOM 984 CE2 TYR A 62 0.323 6.266 7.275 1.00 0.00 C ATOM 985 CZ TYR A 62 1.570 5.946 6.780 1.00 0.00 C ATOM 986 OH TYR A 62 2.392 6.938 6.301 1.00 0.00 O ATOM 0 H TYR A 62 -0.210 2.072 5.705 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.253 1.228 7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.757 3.298 8.919 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.408 2.179 8.913 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.504 2.614 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.474 5.521 8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.973 4.387 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.009 7.294 7.286 1.00 0.00 H new ATOM 0 HH TYR A 62 1.941 7.804 6.382 1.00 0.00 H new ATOM 996 N ASN A 63 -3.934 2.755 6.652 1.00 0.00 N ATOM 997 CA ASN A 63 -4.942 3.528 5.936 1.00 0.00 C ATOM 998 C ASN A 63 -5.761 4.390 6.890 1.00 0.00 C ATOM 999 O ASN A 63 -6.351 3.888 7.847 1.00 0.00 O ATOM 1000 CB ASN A 63 -5.870 2.594 5.156 1.00 0.00 C ATOM 1001 CG ASN A 63 -5.146 1.853 4.048 1.00 0.00 C ATOM 1002 OD1 ASN A 63 -4.041 1.348 4.243 1.00 0.00 O ATOM 1003 ND2 ASN A 63 -5.770 1.783 2.878 1.00 0.00 N ATOM 0 H ASN A 63 -4.309 2.114 7.351 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.423 4.187 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.315 1.873 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.688 3.173 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.334 1.295 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.686 2.217 2.762 1.00 0.00 H new ATOM 1010 N LEU A 64 -5.799 5.690 6.616 1.00 0.00 N ATOM 1011 CA LEU A 64 -6.553 6.625 7.440 1.00 0.00 C ATOM 1012 C LEU A 64 -7.858 7.022 6.754 1.00 0.00 C ATOM 1013 O LEU A 64 -8.456 8.046 7.085 1.00 0.00 O ATOM 1014 CB LEU A 64 -5.717 7.872 7.730 1.00 0.00 C ATOM 1015 CG LEU A 64 -4.670 7.711 8.834 1.00 0.00 C ATOM 1016 CD1 LEU A 64 -3.392 8.453 8.473 1.00 0.00 C ATOM 1017 CD2 LEU A 64 -5.217 8.204 10.164 1.00 0.00 C ATOM 0 H LEU A 64 -5.315 6.120 5.828 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.792 6.130 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.211 8.172 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.389 8.685 8.004 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.434 6.651 8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.660 8.326 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.989 8.052 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.610 9.513 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.459 8.082 10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.483 9.258 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.102 7.627 10.430 1.00 0.00 H new ATOM 1029 N TYR A 65 -8.294 6.207 5.796 1.00 0.00 N ATOM 1030 CA TYR A 65 -9.525 6.479 5.066 1.00 0.00 C ATOM 1031 C TYR A 65 -9.923 5.286 4.200 1.00 0.00 C ATOM 1032 O TYR A 65 -9.491 5.166 3.055 1.00 0.00 O ATOM 1033 CB TYR A 65 -9.362 7.727 4.198 1.00 0.00 C ATOM 1034 CG TYR A 65 -10.367 8.814 4.506 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -11.732 8.557 4.467 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -9.951 10.097 4.838 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -12.653 9.547 4.749 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -10.866 11.093 5.123 1.00 0.00 C ATOM 1039 CZ TYR A 65 -12.216 10.813 5.076 1.00 0.00 C ATOM 1040 OH TYR A 65 -13.130 11.802 5.359 1.00 0.00 O ATOM 0 H TYR A 65 -7.812 5.355 5.509 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.318 6.653 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.356 8.125 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.455 7.445 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.079 7.566 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.895 10.320 4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.710 9.330 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.526 12.085 5.381 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.657 12.634 5.571 1.00 0.00 H new ATOM 1050 N ILE A 66 -10.752 4.409 4.757 1.00 0.00 N ATOM 1051 CA ILE A 66 -11.211 3.228 4.036 1.00 0.00 C ATOM 1052 C ILE A 66 -12.734 3.135 4.049 1.00 0.00 C ATOM 1053 O ILE A 66 -13.401 3.836 4.811 1.00 0.00 O ATOM 1054 CB ILE A 66 -10.620 1.936 4.636 1.00 0.00 C ATOM 1055 CG1 ILE A 66 -11.084 1.756 6.083 1.00 0.00 C ATOM 1056 CG2 ILE A 66 -9.102 1.964 4.558 1.00 0.00 C ATOM 1057 CD1 ILE A 66 -11.641 0.379 6.372 1.00 0.00 C ATOM 0 H ILE A 66 -11.119 4.494 5.705 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.865 3.330 3.007 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.979 1.087 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.245 1.947 6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.847 2.502 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.699 1.046 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.793 2.046 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.725 2.820 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -11.950 0.323 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.501 0.192 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.874 -0.371 6.180 1.00 0.00 H new ATOM 1069 N ALA A 67 -13.278 2.267 3.203 1.00 0.00 N ATOM 1070 CA ALA A 67 -14.723 2.086 3.119 1.00 0.00 C ATOM 1071 C ALA A 67 -15.117 0.645 3.434 1.00 0.00 C ATOM 1072 O ALA A 67 -15.230 -0.186 2.534 1.00 0.00 O ATOM 1073 CB ALA A 67 -15.225 2.483 1.738 1.00 0.00 C ATOM 0 H ALA A 67 -12.741 1.678 2.566 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.189 2.732 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.305 2.343 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.986 3.530 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.744 1.861 0.983 1.00 0.00 H new ATOM 1079 N PRO A 68 -15.334 0.330 4.724 1.00 0.00 N ATOM 1080 CA PRO A 68 -15.717 -1.019 5.153 1.00 0.00 C ATOM 1081 C PRO A 68 -16.933 -1.543 4.398 1.00 0.00 C ATOM 1082 O PRO A 68 -17.558 -0.815 3.626 1.00 0.00 O ATOM 1083 CB PRO A 68 -16.046 -0.843 6.637 1.00 0.00 C ATOM 1084 CG PRO A 68 -15.268 0.356 7.060 1.00 0.00 C ATOM 1085 CD PRO A 68 -15.221 1.262 5.861 1.00 0.00 C ATOM 0 HA PRO A 68 -14.927 -1.745 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.115 -0.695 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.760 -1.723 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.744 0.852 7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.263 0.077 7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.037 1.984 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.292 1.831 5.823 1.00 0.00 H new ATOM 1289 N ARG A 81 -6.952 0.977 10.322 1.00 0.00 N ATOM 1290 CA ARG A 81 -6.359 -0.296 10.716 1.00 0.00 C ATOM 1291 C ARG A 81 -4.875 -0.333 10.361 1.00 0.00 C ATOM 1292 O ARG A 81 -4.276 0.695 10.047 1.00 0.00 O ATOM 1293 CB ARG A 81 -7.091 -1.457 10.039 1.00 0.00 C ATOM 1294 CG ARG A 81 -7.297 -2.658 10.947 1.00 0.00 C ATOM 1295 CD ARG A 81 -8.623 -3.347 10.670 1.00 0.00 C ATOM 1296 NE ARG A 81 -8.458 -4.534 9.835 1.00 0.00 N ATOM 1297 CZ ARG A 81 -8.400 -4.505 8.505 1.00 0.00 C ATOM 1298 NH1 ARG A 81 -8.493 -3.353 7.852 1.00 0.00 N ATOM 1299 NH2 ARG A 81 -8.248 -5.634 7.824 1.00 0.00 N ATOM 0 HA ARG A 81 -6.459 -0.399 11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.062 -1.108 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.526 -1.769 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.481 -3.367 10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.263 -2.338 11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.089 -3.630 11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.299 -2.648 10.177 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.383 -5.439 10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.610 -2.482 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.448 -3.339 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.176 -6.523 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.203 -5.613 6.805 1.00 0.00 H new ATOM 1313 N LYS A 82 -4.285 -1.524 10.415 1.00 0.00 N ATOM 1314 CA LYS A 82 -2.871 -1.690 10.100 1.00 0.00 C ATOM 1315 C LYS A 82 -2.579 -3.112 9.629 1.00 0.00 C ATOM 1316 O LYS A 82 -2.883 -4.081 10.323 1.00 0.00 O ATOM 1317 CB LYS A 82 -2.013 -1.354 11.322 1.00 0.00 C ATOM 1318 CG LYS A 82 -1.357 0.015 11.248 1.00 0.00 C ATOM 1319 CD LYS A 82 -0.470 0.273 12.454 1.00 0.00 C ATOM 1320 CE LYS A 82 0.838 -0.495 12.359 1.00 0.00 C ATOM 1321 NZ LYS A 82 1.839 0.215 11.515 1.00 0.00 N ATOM 0 H LYS A 82 -4.764 -2.387 10.674 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.621 -1.004 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.635 -1.402 12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.239 -2.113 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.764 0.086 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.126 0.785 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.262 1.340 12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.997 -0.016 13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.246 -0.643 13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.649 -1.484 11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.156 -0.413 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.406 1.068 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.655 0.487 12.099 1.00 0.00 H new ATOM 1335 N ARG A 83 -1.982 -3.225 8.446 1.00 0.00 N ATOM 1336 CA ARG A 83 -1.642 -4.527 7.881 1.00 0.00 C ATOM 1337 C ARG A 83 -0.130 -4.693 7.783 1.00 0.00 C ATOM 1338 O ARG A 83 0.593 -3.730 7.524 1.00 0.00 O ATOM 1339 CB ARG A 83 -2.277 -4.689 6.499 1.00 0.00 C ATOM 1340 CG ARG A 83 -3.719 -4.209 6.430 1.00 0.00 C ATOM 1341 CD ARG A 83 -3.871 -3.029 5.483 1.00 0.00 C ATOM 1342 NE ARG A 83 -4.350 -3.443 4.166 1.00 0.00 N ATOM 1343 CZ ARG A 83 -4.870 -2.608 3.271 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -4.981 -1.313 3.546 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -5.280 -3.066 2.097 1.00 0.00 N ATOM 0 H ARG A 83 -1.724 -2.431 7.860 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.034 -5.299 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.684 -4.137 5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.239 -5.740 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.360 -5.026 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.056 -3.923 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.567 -2.307 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.911 -2.523 5.377 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.282 -4.430 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.667 -0.954 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.381 -0.677 2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.197 -4.059 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.679 -2.425 1.411 1.00 0.00 H new ATOM 1359 N LYS A 84 0.346 -5.915 7.997 1.00 0.00 N ATOM 1360 CA LYS A 84 1.777 -6.198 7.936 1.00 0.00 C ATOM 1361 C LYS A 84 2.124 -7.004 6.689 1.00 0.00 C ATOM 1362 O LYS A 84 1.563 -8.075 6.454 1.00 0.00 O ATOM 1363 CB LYS A 84 2.239 -6.955 9.191 1.00 0.00 C ATOM 1364 CG LYS A 84 1.156 -7.148 10.244 1.00 0.00 C ATOM 1365 CD LYS A 84 0.307 -8.376 9.955 1.00 0.00 C ATOM 1366 CE LYS A 84 -1.172 -8.101 10.179 1.00 0.00 C ATOM 1367 NZ LYS A 84 -2.014 -8.675 9.093 1.00 0.00 N ATOM 0 H LYS A 84 -0.236 -6.724 8.214 1.00 0.00 H new ATOM 0 HA LYS A 84 2.299 -5.242 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.616 -7.933 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.073 -6.415 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.617 -7.247 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.519 -6.264 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.466 -8.695 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.626 -9.198 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.478 -8.522 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.337 -7.025 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.015 -8.466 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.739 -8.255 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.877 -9.705 9.055 1.00 0.00 H new ATOM 1381 N LEU A 85 3.056 -6.486 5.895 1.00 0.00 N ATOM 1382 CA LEU A 85 3.484 -7.160 4.678 1.00 0.00 C ATOM 1383 C LEU A 85 4.896 -7.718 4.837 1.00 0.00 C ATOM 1384 O LEU A 85 5.680 -7.224 5.645 1.00 0.00 O ATOM 1385 CB LEU A 85 3.429 -6.198 3.490 1.00 0.00 C ATOM 1386 CG LEU A 85 2.107 -5.437 3.336 1.00 0.00 C ATOM 1387 CD1 LEU A 85 2.351 -3.936 3.311 1.00 0.00 C ATOM 1388 CD2 LEU A 85 1.379 -5.881 2.077 1.00 0.00 C ATOM 0 H LEU A 85 3.529 -5.600 6.075 1.00 0.00 H new ATOM 0 HA LEU A 85 2.804 -7.991 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.238 -5.475 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.616 -6.762 2.576 1.00 0.00 H new ATOM 0 HG LEU A 85 1.478 -5.667 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.400 -3.415 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.828 -3.629 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.001 -3.687 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.443 -5.330 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.004 -5.683 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.167 -6.949 2.136 1.00 0.00 H new ATOM 1400 N LEU A 86 5.207 -8.755 4.067 1.00 0.00 N ATOM 1401 CA LEU A 86 6.521 -9.389 4.125 1.00 0.00 C ATOM 1402 C LEU A 86 7.567 -8.582 3.355 1.00 0.00 C ATOM 1403 O LEU A 86 7.233 -7.654 2.619 1.00 0.00 O ATOM 1404 CB LEU A 86 6.445 -10.815 3.570 1.00 0.00 C ATOM 1405 CG LEU A 86 6.821 -11.915 4.563 1.00 0.00 C ATOM 1406 CD1 LEU A 86 5.714 -12.108 5.589 1.00 0.00 C ATOM 1407 CD2 LEU A 86 7.107 -13.218 3.833 1.00 0.00 C ATOM 0 H LEU A 86 4.566 -9.176 3.394 1.00 0.00 H new ATOM 0 HA LEU A 86 6.828 -9.425 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.430 -10.997 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.103 -10.887 2.704 1.00 0.00 H new ATOM 0 HG LEU A 86 7.726 -11.610 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.999 -12.895 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.557 -11.177 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.792 -12.390 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.373 -13.989 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.220 -13.528 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.934 -13.072 3.138 1.00 0.00 H new ATOM 1419 N LEU A 87 8.834 -8.950 3.533 1.00 0.00 N ATOM 1420 CA LEU A 87 9.940 -8.272 2.861 1.00 0.00 C ATOM 1421 C LEU A 87 11.277 -8.917 3.250 1.00 0.00 C ATOM 1422 O LEU A 87 11.331 -10.113 3.536 1.00 0.00 O ATOM 1423 CB LEU A 87 9.941 -6.777 3.220 1.00 0.00 C ATOM 1424 CG LEU A 87 10.217 -5.794 2.066 1.00 0.00 C ATOM 1425 CD1 LEU A 87 10.942 -6.467 0.905 1.00 0.00 C ATOM 1426 CD2 LEU A 87 8.915 -5.166 1.585 1.00 0.00 C ATOM 0 H LEU A 87 9.121 -9.718 4.140 1.00 0.00 H new ATOM 0 HA LEU A 87 9.809 -8.372 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.973 -6.530 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.690 -6.613 3.995 1.00 0.00 H new ATOM 0 HG LEU A 87 10.872 -5.012 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.117 -5.738 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.897 -6.862 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.331 -7.283 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.124 -4.474 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.242 -5.948 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.446 -4.626 2.408 1.00 0.00 H new ATOM 1438 N HIS A 88 12.352 -8.127 3.262 1.00 0.00 N ATOM 1439 CA HIS A 88 13.671 -8.638 3.618 1.00 0.00 C ATOM 1440 C HIS A 88 14.321 -7.765 4.689 1.00 0.00 C ATOM 1441 O HIS A 88 13.822 -6.688 5.011 1.00 0.00 O ATOM 1442 CB HIS A 88 14.568 -8.701 2.381 1.00 0.00 C ATOM 1443 CG HIS A 88 14.263 -9.856 1.478 1.00 0.00 C ATOM 1444 ND1 HIS A 88 14.101 -9.723 0.115 1.00 0.00 N ATOM 1445 CD2 HIS A 88 14.092 -11.171 1.749 1.00 0.00 C ATOM 1446 CE1 HIS A 88 13.842 -10.907 -0.413 1.00 0.00 C ATOM 1447 NE2 HIS A 88 13.832 -11.801 0.556 1.00 0.00 N ATOM 0 H HIS A 88 12.333 -7.134 3.030 1.00 0.00 H new ATOM 0 HA HIS A 88 13.548 -9.644 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 88 14.463 -7.773 1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.608 -8.765 2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.149 -11.638 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.668 -11.108 -1.460 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.659 -12.799 0.439 1.00 0.00 H new ATOM 1456 N LYS A 89 15.435 -8.240 5.239 1.00 0.00 N ATOM 1457 CA LYS A 89 16.149 -7.502 6.275 1.00 0.00 C ATOM 1458 C LYS A 89 17.079 -6.457 5.663 1.00 0.00 C ATOM 1459 O LYS A 89 17.204 -5.347 6.176 1.00 0.00 O ATOM 1460 CB LYS A 89 16.948 -8.462 7.161 1.00 0.00 C ATOM 1461 CG LYS A 89 17.932 -9.333 6.394 1.00 0.00 C ATOM 1462 CD LYS A 89 17.880 -10.779 6.859 1.00 0.00 C ATOM 1463 CE LYS A 89 17.980 -11.744 5.689 1.00 0.00 C ATOM 1464 NZ LYS A 89 17.126 -12.947 5.885 1.00 0.00 N ATOM 0 H LYS A 89 15.862 -9.131 4.985 1.00 0.00 H new ATOM 0 HA LYS A 89 15.410 -6.986 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.494 -7.884 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.254 -9.105 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.708 -9.285 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.942 -8.944 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.695 -10.967 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.950 -10.955 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.684 -11.234 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.018 -12.053 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.223 -13.579 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.425 -13.448 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.132 -12.655 5.981 1.00 0.00 H new ATOM 1478 N ARG A 90 17.730 -6.819 4.564 1.00 0.00 N ATOM 1479 CA ARG A 90 18.643 -5.909 3.882 1.00 0.00 C ATOM 1480 C ARG A 90 17.878 -4.779 3.196 1.00 0.00 C ATOM 1481 O ARG A 90 18.213 -3.604 3.344 1.00 0.00 O ATOM 1482 CB ARG A 90 19.480 -6.673 2.854 1.00 0.00 C ATOM 1483 CG ARG A 90 20.728 -5.931 2.408 1.00 0.00 C ATOM 1484 CD ARG A 90 21.196 -6.400 1.040 1.00 0.00 C ATOM 1485 NE ARG A 90 21.222 -7.858 0.940 1.00 0.00 N ATOM 1486 CZ ARG A 90 22.197 -8.618 1.434 1.00 0.00 C ATOM 1487 NH1 ARG A 90 23.224 -8.065 2.066 1.00 0.00 N ATOM 1488 NH2 ARG A 90 22.144 -9.937 1.297 1.00 0.00 N ATOM 0 H ARG A 90 17.643 -7.736 4.126 1.00 0.00 H new ATOM 0 HA ARG A 90 19.306 -5.471 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.772 -7.634 3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.862 -6.884 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.525 -4.861 2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 90 21.523 -6.083 3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.536 -5.996 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 90 22.193 -6.005 0.843 1.00 0.00 H new ATOM 0 HE ARG A 90 20.448 -8.320 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.270 -7.052 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.968 -8.653 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.356 -10.368 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 90 22.891 -10.519 1.675 1.00 0.00 H new ATOM 1502 N GLU A 91 16.859 -5.154 2.430 1.00 0.00 N ATOM 1503 CA GLU A 91 16.041 -4.194 1.694 1.00 0.00 C ATOM 1504 C GLU A 91 15.478 -3.095 2.595 1.00 0.00 C ATOM 1505 O GLU A 91 15.579 -1.911 2.274 1.00 0.00 O ATOM 1506 CB GLU A 91 14.895 -4.918 0.987 1.00 0.00 C ATOM 1507 CG GLU A 91 15.360 -5.992 0.016 1.00 0.00 C ATOM 1508 CD GLU A 91 15.429 -5.493 -1.415 1.00 0.00 C ATOM 1509 OE1 GLU A 91 16.450 -4.871 -1.778 1.00 0.00 O ATOM 1510 OE2 GLU A 91 14.464 -5.726 -2.172 1.00 0.00 O ATOM 0 H GLU A 91 16.577 -6.126 2.302 1.00 0.00 H new ATOM 0 HA GLU A 91 16.689 -3.715 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.247 -5.373 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.293 -4.187 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.344 -6.350 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.681 -6.843 0.068 1.00 0.00 H new ATOM 1517 N ILE A 92 14.867 -3.486 3.711 1.00 0.00 N ATOM 1518 CA ILE A 92 14.272 -2.518 4.634 1.00 0.00 C ATOM 1519 C ILE A 92 15.247 -1.390 4.977 1.00 0.00 C ATOM 1520 O ILE A 92 14.896 -0.212 4.909 1.00 0.00 O ATOM 1521 CB ILE A 92 13.768 -3.193 5.934 1.00 0.00 C ATOM 1522 CG1 ILE A 92 12.640 -2.364 6.554 1.00 0.00 C ATOM 1523 CG2 ILE A 92 14.896 -3.387 6.940 1.00 0.00 C ATOM 1524 CD1 ILE A 92 13.083 -0.995 7.021 1.00 0.00 C ATOM 0 H ILE A 92 14.770 -4.460 3.998 1.00 0.00 H new ATOM 0 HA ILE A 92 13.414 -2.088 4.117 1.00 0.00 H new ATOM 0 HB ILE A 92 13.386 -4.180 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.841 -2.248 5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.221 -2.910 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.504 -3.863 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 92 15.669 -4.019 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 92 15.323 -2.418 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.233 -0.464 7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.861 -1.103 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.474 -0.431 6.174 1.00 0.00 H new ATOM 1536 N MET A 93 16.468 -1.758 5.355 1.00 0.00 N ATOM 1537 CA MET A 93 17.489 -0.780 5.719 1.00 0.00 C ATOM 1538 C MET A 93 17.694 0.249 4.609 1.00 0.00 C ATOM 1539 O MET A 93 17.583 1.453 4.838 1.00 0.00 O ATOM 1540 CB MET A 93 18.812 -1.484 6.024 1.00 0.00 C ATOM 1541 CG MET A 93 18.795 -2.280 7.318 1.00 0.00 C ATOM 1542 SD MET A 93 19.796 -3.777 7.227 1.00 0.00 S ATOM 1543 CE MET A 93 21.180 -3.324 8.269 1.00 0.00 C ATOM 0 H MET A 93 16.775 -2.729 5.417 1.00 0.00 H new ATOM 0 HA MET A 93 17.145 -0.256 6.611 1.00 0.00 H new ATOM 0 HB2 MET A 93 19.056 -2.153 5.199 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.606 -0.739 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 93 19.160 -1.652 8.131 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.767 -2.549 7.561 1.00 0.00 H new ATOM 0 HE1 MET A 93 21.889 -4.151 8.312 1.00 0.00 H new ATOM 0 HE2 MET A 93 21.674 -2.444 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 93 20.821 -3.101 9.274 1.00 0.00 H new ATOM 1553 N ARG A 94 18.002 -0.233 3.410 1.00 0.00 N ATOM 1554 CA ARG A 94 18.229 0.644 2.265 1.00 0.00 C ATOM 1555 C ARG A 94 17.048 1.586 2.045 1.00 0.00 C ATOM 1556 O ARG A 94 17.225 2.796 1.902 1.00 0.00 O ATOM 1557 CB ARG A 94 18.476 -0.185 1.003 1.00 0.00 C ATOM 1558 CG ARG A 94 19.751 -1.011 1.058 1.00 0.00 C ATOM 1559 CD ARG A 94 20.620 -0.781 -0.170 1.00 0.00 C ATOM 1560 NE ARG A 94 21.807 -1.633 -0.168 1.00 0.00 N ATOM 1561 CZ ARG A 94 22.845 -1.456 0.647 1.00 0.00 C ATOM 1562 NH1 ARG A 94 22.845 -0.461 1.526 1.00 0.00 N ATOM 1563 NH2 ARG A 94 23.885 -2.276 0.584 1.00 0.00 N ATOM 0 H ARG A 94 18.101 -1.227 3.205 1.00 0.00 H new ATOM 0 HA ARG A 94 19.111 1.248 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 94 17.628 -0.851 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 94 18.522 0.483 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.313 -0.754 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 94 19.497 -2.068 1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 94 20.036 -0.976 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 94 20.925 0.265 -0.208 1.00 0.00 H new ATOM 0 HE ARG A 94 21.843 -2.409 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 94 22.047 0.172 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 94 23.643 -0.330 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 94 23.890 -3.043 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.680 -2.140 1.208 1.00 0.00 H new ATOM 1577 N LEU A 95 15.845 1.022 2.012 1.00 0.00 N ATOM 1578 CA LEU A 95 14.634 1.808 1.801 1.00 0.00 C ATOM 1579 C LEU A 95 14.515 2.942 2.816 1.00 0.00 C ATOM 1580 O LEU A 95 14.357 4.104 2.447 1.00 0.00 O ATOM 1581 CB LEU A 95 13.400 0.908 1.888 1.00 0.00 C ATOM 1582 CG LEU A 95 12.995 0.232 0.577 1.00 0.00 C ATOM 1583 CD1 LEU A 95 11.721 -0.579 0.765 1.00 0.00 C ATOM 1584 CD2 LEU A 95 12.815 1.268 -0.524 1.00 0.00 C ATOM 0 H LEU A 95 15.682 0.022 2.129 1.00 0.00 H new ATOM 0 HA LEU A 95 14.697 2.249 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.585 0.136 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.560 1.503 2.246 1.00 0.00 H new ATOM 0 HG LEU A 95 13.793 -0.449 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.449 -1.052 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.886 -1.346 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.914 0.080 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.527 0.769 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.037 1.974 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.752 1.803 -0.677 1.00 0.00 H new ATOM 1596 N TYR A 96 14.578 2.594 4.095 1.00 0.00 N ATOM 1597 CA TYR A 96 14.462 3.577 5.168 1.00 0.00 C ATOM 1598 C TYR A 96 15.460 4.724 5.005 1.00 0.00 C ATOM 1599 O TYR A 96 15.074 5.862 4.744 1.00 0.00 O ATOM 1600 CB TYR A 96 14.670 2.901 6.526 1.00 0.00 C ATOM 1601 CG TYR A 96 13.838 3.500 7.636 1.00 0.00 C ATOM 1602 CD1 TYR A 96 14.318 4.557 8.399 1.00 0.00 C ATOM 1603 CD2 TYR A 96 12.571 3.006 7.924 1.00 0.00 C ATOM 1604 CE1 TYR A 96 13.560 5.106 9.417 1.00 0.00 C ATOM 1605 CE2 TYR A 96 11.807 3.550 8.938 1.00 0.00 C ATOM 1606 CZ TYR A 96 12.306 4.599 9.681 1.00 0.00 C ATOM 1607 OH TYR A 96 11.547 5.143 10.692 1.00 0.00 O ATOM 0 H TYR A 96 14.709 1.635 4.417 1.00 0.00 H new ATOM 0 HA TYR A 96 13.458 3.999 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.430 1.842 6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 96 15.724 2.967 6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.300 4.957 8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.178 2.183 7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.948 5.927 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.824 3.156 9.148 1.00 0.00 H new ATOM 0 HH TYR A 96 10.689 4.672 10.747 1.00 0.00 H new ATOM 1617 N GLY A 97 16.739 4.418 5.184 1.00 0.00 N ATOM 1618 CA GLY A 97 17.776 5.431 5.081 1.00 0.00 C ATOM 1619 C GLY A 97 17.697 6.278 3.820 1.00 0.00 C ATOM 1620 O GLY A 97 17.395 7.468 3.883 1.00 0.00 O ATOM 0 H GLY A 97 17.080 3.481 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.716 6.086 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.750 4.943 5.117 1.00 0.00 H new ATOM 1624 N LYS A 98 18.000 5.668 2.680 1.00 0.00 N ATOM 1625 CA LYS A 98 17.999 6.374 1.398 1.00 0.00 C ATOM 1626 C LYS A 98 16.717 7.171 1.159 1.00 0.00 C ATOM 1627 O LYS A 98 16.759 8.392 1.017 1.00 0.00 O ATOM 1628 CB LYS A 98 18.204 5.382 0.253 1.00 0.00 C ATOM 1629 CG LYS A 98 19.668 5.099 -0.052 1.00 0.00 C ATOM 1630 CD LYS A 98 20.036 5.515 -1.467 1.00 0.00 C ATOM 1631 CE LYS A 98 21.320 4.845 -1.930 1.00 0.00 C ATOM 1632 NZ LYS A 98 22.202 5.787 -2.673 1.00 0.00 N ATOM 0 H LYS A 98 18.251 4.682 2.614 1.00 0.00 H new ATOM 0 HA LYS A 98 18.822 7.087 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 98 17.705 4.445 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 98 17.723 5.771 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 98 20.298 5.632 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 98 19.868 4.036 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 98 19.224 5.256 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 98 20.154 6.598 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 98 21.856 4.451 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 21.076 3.996 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 23.066 5.291 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 21.701 6.144 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 22.456 6.585 -2.056 1.00 0.00 H new ATOM 1646 N VAL A 99 15.589 6.482 1.084 1.00 0.00 N ATOM 1647 CA VAL A 99 14.309 7.139 0.823 1.00 0.00 C ATOM 1648 C VAL A 99 14.035 8.307 1.774 1.00 0.00 C ATOM 1649 O VAL A 99 14.035 9.465 1.362 1.00 0.00 O ATOM 1650 CB VAL A 99 13.137 6.139 0.912 1.00 0.00 C ATOM 1651 CG1 VAL A 99 11.822 6.809 0.535 1.00 0.00 C ATOM 1652 CG2 VAL A 99 13.391 4.930 0.022 1.00 0.00 C ATOM 0 H VAL A 99 15.529 5.470 1.199 1.00 0.00 H new ATOM 0 HA VAL A 99 14.384 7.534 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 99 13.064 5.798 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.011 6.084 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.628 7.638 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.885 7.185 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.552 4.238 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.497 5.256 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.305 4.429 0.341 1.00 0.00 H new ATOM 1662 N GLN A 100 13.769 7.994 3.036 1.00 0.00 N ATOM 1663 CA GLN A 100 13.449 9.013 4.034 1.00 0.00 C ATOM 1664 C GLN A 100 14.518 10.101 4.151 1.00 0.00 C ATOM 1665 O GLN A 100 14.275 11.261 3.817 1.00 0.00 O ATOM 1666 CB GLN A 100 13.235 8.363 5.402 1.00 0.00 C ATOM 1667 CG GLN A 100 11.843 7.781 5.590 1.00 0.00 C ATOM 1668 CD GLN A 100 11.045 8.507 6.656 1.00 0.00 C ATOM 1669 OE1 GLN A 100 10.304 9.444 6.362 1.00 0.00 O ATOM 1670 NE2 GLN A 100 11.193 8.075 7.903 1.00 0.00 N ATOM 0 H GLN A 100 13.768 7.040 3.396 1.00 0.00 H new ATOM 0 HA GLN A 100 12.533 9.497 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.972 7.571 5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.417 9.105 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.304 7.827 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.927 6.728 5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.819 7.294 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.681 8.524 8.662 1.00 0.00 H new ATOM 1679 N GLU A 101 15.681 9.732 4.673 1.00 0.00 N ATOM 1680 CA GLU A 101 16.771 10.683 4.892 1.00 0.00 C ATOM 1681 C GLU A 101 17.082 11.540 3.667 1.00 0.00 C ATOM 1682 O GLU A 101 17.010 12.767 3.733 1.00 0.00 O ATOM 1683 CB GLU A 101 18.033 9.949 5.345 1.00 0.00 C ATOM 1684 CG GLU A 101 17.813 9.046 6.548 1.00 0.00 C ATOM 1685 CD GLU A 101 19.034 8.961 7.442 1.00 0.00 C ATOM 1686 OE1 GLU A 101 19.549 10.024 7.847 1.00 0.00 O ATOM 1687 OE2 GLU A 101 19.475 7.831 7.738 1.00 0.00 O ATOM 0 H GLU A 101 15.897 8.776 4.955 1.00 0.00 H new ATOM 0 HA GLU A 101 16.432 11.362 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.412 9.351 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.802 10.682 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.968 9.418 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.548 8.046 6.204 1.00 0.00 H new ATOM 1694 N LYS A 102 17.442 10.904 2.560 1.00 0.00 N ATOM 1695 CA LYS A 102 17.779 11.637 1.342 1.00 0.00 C ATOM 1696 C LYS A 102 16.704 12.670 1.021 1.00 0.00 C ATOM 1697 O LYS A 102 17.004 13.838 0.775 1.00 0.00 O ATOM 1698 CB LYS A 102 17.949 10.674 0.166 1.00 0.00 C ATOM 1699 CG LYS A 102 18.782 11.245 -0.970 1.00 0.00 C ATOM 1700 CD LYS A 102 17.904 11.798 -2.080 1.00 0.00 C ATOM 1701 CE LYS A 102 18.556 12.990 -2.764 1.00 0.00 C ATOM 1702 NZ LYS A 102 18.051 14.283 -2.226 1.00 0.00 N ATOM 0 H LYS A 102 17.509 9.890 2.478 1.00 0.00 H new ATOM 0 HA LYS A 102 18.723 12.157 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.416 9.756 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.965 10.403 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.428 12.035 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.433 10.468 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.709 11.017 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.940 12.096 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.637 12.939 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.364 12.943 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.817 14.986 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.264 14.621 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.718 14.147 -1.250 1.00 0.00 H new ATOM 1716 N GLY A 103 15.452 12.233 1.033 1.00 0.00 N ATOM 1717 CA GLY A 103 14.353 13.135 0.751 1.00 0.00 C ATOM 1718 C GLY A 103 13.285 12.492 -0.105 1.00 0.00 C ATOM 1719 O GLY A 103 12.944 13.002 -1.171 1.00 0.00 O ATOM 0 H GLY A 103 15.178 11.271 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.910 13.469 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.735 14.022 0.245 1.00 0.00 H new ATOM 1723 N TYR A 104 12.760 11.365 0.360 1.00 0.00 N ATOM 1724 CA TYR A 104 11.725 10.652 -0.385 1.00 0.00 C ATOM 1725 C TYR A 104 10.632 10.123 0.537 1.00 0.00 C ATOM 1726 O TYR A 104 10.798 10.074 1.756 1.00 0.00 O ATOM 1727 CB TYR A 104 12.341 9.498 -1.180 1.00 0.00 C ATOM 1728 CG TYR A 104 12.741 9.878 -2.588 1.00 0.00 C ATOM 1729 CD1 TYR A 104 13.969 10.475 -2.844 1.00 0.00 C ATOM 1730 CD2 TYR A 104 11.892 9.639 -3.661 1.00 0.00 C ATOM 1731 CE1 TYR A 104 14.339 10.823 -4.130 1.00 0.00 C ATOM 1732 CE2 TYR A 104 12.254 9.985 -4.949 1.00 0.00 C ATOM 1733 CZ TYR A 104 13.478 10.577 -5.178 1.00 0.00 C ATOM 1734 OH TYR A 104 13.842 10.924 -6.459 1.00 0.00 O ATOM 0 H TYR A 104 13.029 10.927 1.241 1.00 0.00 H new ATOM 0 HA TYR A 104 11.269 11.362 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.219 9.130 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.627 8.676 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 104 14.646 10.670 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.933 9.175 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.298 11.285 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 104 11.582 9.793 -5.772 1.00 0.00 H new ATOM 0 HH TYR A 104 14.817 10.871 -6.548 1.00 0.00 H new ATOM 1744 N THR A 105 9.512 9.723 -0.061 1.00 0.00 N ATOM 1745 CA THR A 105 8.382 9.190 0.691 1.00 0.00 C ATOM 1746 C THR A 105 7.827 7.938 0.015 1.00 0.00 C ATOM 1747 O THR A 105 8.020 7.733 -1.184 1.00 0.00 O ATOM 1748 CB THR A 105 7.282 10.246 0.819 1.00 0.00 C ATOM 1749 OG1 THR A 105 7.814 11.548 0.653 1.00 0.00 O ATOM 1750 CG2 THR A 105 6.568 10.209 2.154 1.00 0.00 C ATOM 0 H THR A 105 9.364 9.759 -1.070 1.00 0.00 H new ATOM 0 HA THR A 105 8.732 8.921 1.688 1.00 0.00 H new ATOM 0 HB THR A 105 6.564 10.010 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.095 12.208 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.801 10.983 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.103 9.233 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.286 10.384 2.955 1.00 0.00 H new ATOM 1758 N ILE A 106 7.142 7.102 0.789 1.00 0.00 N ATOM 1759 CA ILE A 106 6.565 5.870 0.261 1.00 0.00 C ATOM 1760 C ILE A 106 5.044 5.869 0.383 1.00 0.00 C ATOM 1761 O ILE A 106 4.498 6.075 1.466 1.00 0.00 O ATOM 1762 CB ILE A 106 7.126 4.632 0.987 1.00 0.00 C ATOM 1763 CG1 ILE A 106 8.656 4.686 1.034 1.00 0.00 C ATOM 1764 CG2 ILE A 106 6.656 3.357 0.302 1.00 0.00 C ATOM 1765 CD1 ILE A 106 9.229 4.370 2.398 1.00 0.00 C ATOM 0 H ILE A 106 6.973 7.255 1.783 1.00 0.00 H new ATOM 0 HA ILE A 106 6.839 5.824 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 106 6.751 4.631 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.059 3.981 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.986 5.680 0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.061 2.492 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.567 3.315 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.003 3.350 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 106 10.317 4.427 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.855 5.090 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.929 3.365 2.695 1.00 0.00 H new ATOM 1777 N ILE A 107 4.367 5.630 -0.737 1.00 0.00 N ATOM 1778 CA ILE A 107 2.908 5.596 -0.759 1.00 0.00 C ATOM 1779 C ILE A 107 2.405 4.367 -1.517 1.00 0.00 C ATOM 1780 O ILE A 107 3.078 3.867 -2.419 1.00 0.00 O ATOM 1781 CB ILE A 107 2.306 6.870 -1.405 1.00 0.00 C ATOM 1782 CG1 ILE A 107 3.409 7.852 -1.817 1.00 0.00 C ATOM 1783 CG2 ILE A 107 1.331 7.540 -0.446 1.00 0.00 C ATOM 1784 CD1 ILE A 107 2.884 9.115 -2.464 1.00 0.00 C ATOM 0 H ILE A 107 4.806 5.457 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 107 2.581 5.548 0.280 1.00 0.00 H new ATOM 0 HB ILE A 107 1.766 6.571 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.993 8.120 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.087 7.354 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.916 8.433 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.524 6.848 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.854 7.819 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.720 9.763 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.325 8.858 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.229 9.636 -1.766 1.00 0.00 H new ATOM 1796 N PRO A 108 1.213 3.858 -1.157 1.00 0.00 N ATOM 1797 CA PRO A 108 0.629 2.683 -1.806 1.00 0.00 C ATOM 1798 C PRO A 108 -0.010 3.019 -3.148 1.00 0.00 C ATOM 1799 O PRO A 108 -0.640 4.066 -3.301 1.00 0.00 O ATOM 1800 CB PRO A 108 -0.435 2.232 -0.809 1.00 0.00 C ATOM 1801 CG PRO A 108 -0.863 3.485 -0.124 1.00 0.00 C ATOM 1802 CD PRO A 108 0.345 4.386 -0.087 1.00 0.00 C ATOM 0 HA PRO A 108 1.378 1.924 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.272 1.750 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.032 1.510 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.685 3.959 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -1.220 3.274 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.074 5.426 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.840 4.351 0.883 1.00 0.00 H new ATOM 1810 N LEU A 109 0.153 2.125 -4.119 1.00 0.00 N ATOM 1811 CA LEU A 109 -0.414 2.333 -5.446 1.00 0.00 C ATOM 1812 C LEU A 109 -1.519 1.312 -5.739 1.00 0.00 C ATOM 1813 O LEU A 109 -2.685 1.552 -5.427 1.00 0.00 O ATOM 1814 CB LEU A 109 0.691 2.275 -6.510 1.00 0.00 C ATOM 1815 CG LEU A 109 0.385 3.024 -7.810 1.00 0.00 C ATOM 1816 CD1 LEU A 109 -0.966 2.605 -8.368 1.00 0.00 C ATOM 1817 CD2 LEU A 109 0.425 4.526 -7.577 1.00 0.00 C ATOM 0 H LEU A 109 0.671 1.253 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.868 3.324 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.607 2.682 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.888 1.230 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 109 1.149 2.766 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.163 3.150 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.959 1.534 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.746 2.830 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.206 5.045 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.318 4.798 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.416 4.814 -7.226 1.00 0.00 H new ATOM 1829 N LYS A 110 -1.157 0.174 -6.332 1.00 0.00 N ATOM 1830 CA LYS A 110 -2.136 -0.860 -6.653 1.00 0.00 C ATOM 1831 C LYS A 110 -1.745 -2.201 -6.046 1.00 0.00 C ATOM 1832 O LYS A 110 -0.645 -2.707 -6.265 1.00 0.00 O ATOM 1833 CB LYS A 110 -2.288 -0.998 -8.170 1.00 0.00 C ATOM 1834 CG LYS A 110 -0.964 -1.049 -8.916 1.00 0.00 C ATOM 1835 CD LYS A 110 -1.144 -0.726 -10.391 1.00 0.00 C ATOM 1836 CE LYS A 110 -0.069 -1.383 -11.240 1.00 0.00 C ATOM 1837 NZ LYS A 110 1.123 -0.506 -11.405 1.00 0.00 N ATOM 0 H LYS A 110 -0.199 -0.053 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.091 -0.558 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.853 -1.904 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.874 -0.159 -8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.266 -0.341 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.523 -2.040 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.127 -1.063 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.113 0.354 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.233 -2.323 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.479 -1.626 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.833 -0.991 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.840 0.381 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.530 -0.294 -10.472 1.00 0.00 H new ATOM 1851 N LEU A 111 -2.675 -2.776 -5.299 1.00 0.00 N ATOM 1852 CA LEU A 111 -2.478 -4.061 -4.668 1.00 0.00 C ATOM 1853 C LEU A 111 -3.590 -5.005 -5.096 1.00 0.00 C ATOM 1854 O LEU A 111 -4.764 -4.709 -4.930 1.00 0.00 O ATOM 1855 CB LEU A 111 -2.471 -3.914 -3.145 1.00 0.00 C ATOM 1856 CG LEU A 111 -3.797 -3.442 -2.536 1.00 0.00 C ATOM 1857 CD1 LEU A 111 -4.428 -4.546 -1.702 1.00 0.00 C ATOM 1858 CD2 LEU A 111 -3.585 -2.192 -1.694 1.00 0.00 C ATOM 0 H LEU A 111 -3.588 -2.359 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.515 -4.467 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.206 -4.875 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.688 -3.208 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.478 -3.196 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.368 -4.191 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.619 -5.414 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.750 -4.826 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.537 -1.873 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.885 -2.411 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.181 -1.396 -2.320 1.00 0.00 H new ATOM 1870 N TYR A 112 -3.207 -6.133 -5.650 1.00 0.00 N ATOM 1871 CA TYR A 112 -4.157 -7.135 -6.113 1.00 0.00 C ATOM 1872 C TYR A 112 -3.710 -8.507 -5.655 1.00 0.00 C ATOM 1873 O TYR A 112 -2.519 -8.715 -5.416 1.00 0.00 O ATOM 1874 CB TYR A 112 -4.273 -7.100 -7.636 1.00 0.00 C ATOM 1875 CG TYR A 112 -3.033 -6.589 -8.336 1.00 0.00 C ATOM 1876 CD1 TYR A 112 -1.981 -7.445 -8.641 1.00 0.00 C ATOM 1877 CD2 TYR A 112 -2.916 -5.252 -8.693 1.00 0.00 C ATOM 1878 CE1 TYR A 112 -0.847 -6.981 -9.280 1.00 0.00 C ATOM 1879 CE2 TYR A 112 -1.786 -4.780 -9.333 1.00 0.00 C ATOM 1880 CZ TYR A 112 -0.754 -5.648 -9.625 1.00 0.00 C ATOM 1881 OH TYR A 112 0.373 -5.183 -10.260 1.00 0.00 O ATOM 0 H TYR A 112 -2.230 -6.387 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.137 -6.915 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.493 -8.105 -7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.119 -6.470 -7.911 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.051 -8.489 -8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.722 -4.570 -8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.037 -7.658 -9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.711 -3.737 -9.603 1.00 0.00 H new ATOM 0 HH TYR A 112 0.763 -5.901 -10.801 1.00 0.00 H new ATOM 1891 N TRP A 113 -4.635 -9.452 -5.518 1.00 0.00 N ATOM 1892 CA TRP A 113 -4.239 -10.782 -5.072 1.00 0.00 C ATOM 1893 C TRP A 113 -4.320 -11.814 -6.184 1.00 0.00 C ATOM 1894 O TRP A 113 -5.357 -12.013 -6.815 1.00 0.00 O ATOM 1895 CB TRP A 113 -5.007 -11.233 -3.820 1.00 0.00 C ATOM 1896 CG TRP A 113 -6.443 -10.912 -3.845 1.00 0.00 C ATOM 1897 CD1 TRP A 113 -7.245 -11.041 -4.900 1.00 0.00 C ATOM 1898 CD2 TRP A 113 -7.240 -10.429 -2.772 1.00 0.00 C ATOM 1899 NE1 TRP A 113 -8.524 -10.649 -4.584 1.00 0.00 N ATOM 1900 CE2 TRP A 113 -8.544 -10.268 -3.267 1.00 0.00 C ATOM 1901 CE3 TRP A 113 -6.976 -10.111 -1.443 1.00 0.00 C ATOM 1902 CZ2 TRP A 113 -9.584 -9.802 -2.476 1.00 0.00 C ATOM 1903 CZ3 TRP A 113 -8.007 -9.651 -0.655 1.00 0.00 C ATOM 1904 CH2 TRP A 113 -9.299 -9.500 -1.172 1.00 0.00 C ATOM 0 H TRP A 113 -5.631 -9.329 -5.702 1.00 0.00 H new ATOM 0 HA TRP A 113 -3.189 -10.705 -4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.889 -12.310 -3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.557 -10.766 -2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.934 -11.403 -5.869 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -9.321 -10.643 -5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.981 -10.223 -1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -10.581 -9.682 -2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.816 -9.403 0.379 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.087 -9.138 -0.529 1.00 0.00 H new ATOM 1915 N LYS A 114 -3.190 -12.474 -6.406 1.00 0.00 N ATOM 1916 CA LYS A 114 -3.078 -13.506 -7.422 1.00 0.00 C ATOM 1917 C LYS A 114 -2.866 -14.848 -6.747 1.00 0.00 C ATOM 1918 O LYS A 114 -2.306 -14.915 -5.654 1.00 0.00 O ATOM 1919 CB LYS A 114 -1.919 -13.206 -8.374 1.00 0.00 C ATOM 1920 CG LYS A 114 -0.567 -13.125 -7.684 1.00 0.00 C ATOM 1921 CD LYS A 114 0.149 -14.468 -7.693 1.00 0.00 C ATOM 1922 CE LYS A 114 0.710 -14.814 -6.322 1.00 0.00 C ATOM 1923 NZ LYS A 114 1.293 -13.625 -5.639 1.00 0.00 N ATOM 0 H LYS A 114 -2.328 -12.307 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.997 -13.531 -8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.880 -13.980 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.114 -12.262 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.052 -12.379 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.703 -12.791 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.543 -15.248 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.959 -14.444 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.082 -15.235 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.476 -15.583 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.131 -13.914 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.569 -12.917 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.587 -13.213 -4.996 1.00 0.00 H new ATOM 1937 N ASN A 115 -3.333 -15.913 -7.379 1.00 0.00 N ATOM 1938 CA ASN A 115 -3.204 -17.244 -6.803 1.00 0.00 C ATOM 1939 C ASN A 115 -4.166 -17.389 -5.629 1.00 0.00 C ATOM 1940 O ASN A 115 -5.037 -18.259 -5.638 1.00 0.00 O ATOM 1941 CB ASN A 115 -1.764 -17.509 -6.347 1.00 0.00 C ATOM 1942 CG ASN A 115 -1.164 -18.731 -7.016 1.00 0.00 C ATOM 1943 OD1 ASN A 115 -0.886 -18.723 -8.215 1.00 0.00 O ATOM 1944 ND2 ASN A 115 -0.961 -19.791 -6.242 1.00 0.00 N ATOM 0 H ASN A 115 -3.802 -15.884 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 115 -3.454 -17.980 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.149 -16.637 -6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.747 -17.644 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.560 -20.642 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.206 -19.754 -5.253 1.00 0.00 H new ATOM 1951 N ASN A 116 -4.020 -16.523 -4.621 1.00 0.00 N ATOM 1952 CA ASN A 116 -4.903 -16.571 -3.460 1.00 0.00 C ATOM 1953 C ASN A 116 -4.636 -15.458 -2.436 1.00 0.00 C ATOM 1954 O ASN A 116 -5.382 -15.344 -1.463 1.00 0.00 O ATOM 1955 CB ASN A 116 -4.790 -17.932 -2.769 1.00 0.00 C ATOM 1956 CG ASN A 116 -5.996 -18.243 -1.903 1.00 0.00 C ATOM 1957 OD1 ASN A 116 -5.976 -18.029 -0.691 1.00 0.00 O ATOM 1958 ND2 ASN A 116 -7.055 -18.749 -2.524 1.00 0.00 N ATOM 0 H ASN A 116 -3.309 -15.792 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.912 -16.415 -3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.677 -18.711 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -3.890 -17.951 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.896 -18.977 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.027 -18.910 -3.531 1.00 0.00 H new ATOM 1965 N LYS A 117 -3.592 -14.640 -2.619 1.00 0.00 N ATOM 1966 CA LYS A 117 -3.324 -13.582 -1.639 1.00 0.00 C ATOM 1967 C LYS A 117 -2.892 -12.260 -2.260 1.00 0.00 C ATOM 1968 O LYS A 117 -2.562 -12.178 -3.443 1.00 0.00 O ATOM 1969 CB LYS A 117 -2.297 -14.049 -0.606 1.00 0.00 C ATOM 1970 CG LYS A 117 -2.923 -14.647 0.645 1.00 0.00 C ATOM 1971 CD LYS A 117 -2.439 -16.068 0.891 1.00 0.00 C ATOM 1972 CE LYS A 117 -1.375 -16.115 1.978 1.00 0.00 C ATOM 1973 NZ LYS A 117 -0.265 -17.043 1.629 1.00 0.00 N ATOM 0 H LYS A 117 -2.942 -14.685 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.276 -13.386 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.643 -14.790 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.670 -13.204 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.680 -14.025 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.008 -14.644 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.282 -16.696 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.035 -16.481 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.975 -15.114 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.829 -16.430 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.439 -17.046 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.643 -18.004 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.186 -16.729 0.746 1.00 0.00 H new ATOM 1987 N VAL A 118 -2.976 -11.216 -1.427 1.00 0.00 N ATOM 1988 CA VAL A 118 -2.688 -9.834 -1.831 1.00 0.00 C ATOM 1989 C VAL A 118 -1.222 -9.424 -1.777 1.00 0.00 C ATOM 1990 O VAL A 118 -0.521 -9.635 -0.787 1.00 0.00 O ATOM 1991 CB VAL A 118 -3.476 -8.808 -0.972 1.00 0.00 C ATOM 1992 CG1 VAL A 118 -4.663 -8.250 -1.744 1.00 0.00 C ATOM 1993 CG2 VAL A 118 -3.930 -9.408 0.355 1.00 0.00 C ATOM 0 H VAL A 118 -3.247 -11.306 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.001 -9.820 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.795 -7.987 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.198 -7.534 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -4.308 -7.752 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -5.334 -9.064 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.477 -8.658 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.578 -10.263 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -3.059 -9.733 0.924 1.00 0.00 H new ATOM 2003 N LYS A 119 -0.821 -8.734 -2.840 1.00 0.00 N ATOM 2004 CA LYS A 119 0.500 -8.157 -2.972 1.00 0.00 C ATOM 2005 C LYS A 119 0.319 -6.669 -3.284 1.00 0.00 C ATOM 2006 O LYS A 119 -0.383 -6.311 -4.230 1.00 0.00 O ATOM 2007 CB LYS A 119 1.292 -8.847 -4.085 1.00 0.00 C ATOM 2008 CG LYS A 119 1.900 -10.175 -3.666 1.00 0.00 C ATOM 2009 CD LYS A 119 3.246 -10.407 -4.331 1.00 0.00 C ATOM 2010 CE LYS A 119 3.089 -11.055 -5.697 1.00 0.00 C ATOM 2011 NZ LYS A 119 4.099 -10.554 -6.670 1.00 0.00 N ATOM 0 H LYS A 119 -1.421 -8.560 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 119 1.064 -8.291 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.635 -9.011 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.088 -8.182 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.020 -10.195 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.220 -10.986 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.770 -9.457 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.863 -11.042 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.185 -12.136 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.088 -10.857 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.453 -11.347 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.660 -9.846 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.891 -10.119 -6.155 1.00 0.00 H new ATOM 2025 N VAL A 120 0.913 -5.806 -2.476 1.00 0.00 N ATOM 2026 CA VAL A 120 0.772 -4.364 -2.670 1.00 0.00 C ATOM 2027 C VAL A 120 2.059 -3.748 -3.201 1.00 0.00 C ATOM 2028 O VAL A 120 3.146 -4.006 -2.682 1.00 0.00 O ATOM 2029 CB VAL A 120 0.401 -3.663 -1.348 1.00 0.00 C ATOM 2030 CG1 VAL A 120 0.129 -2.184 -1.581 1.00 0.00 C ATOM 2031 CG2 VAL A 120 -0.799 -4.341 -0.700 1.00 0.00 C ATOM 0 H VAL A 120 1.495 -6.072 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.025 -4.219 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 120 1.247 -3.747 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.131 -1.708 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.020 -1.710 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.698 -2.072 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.045 -3.832 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.653 -4.294 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.559 -5.384 -0.491 1.00 0.00 H new ATOM 2041 N LEU A 121 1.925 -2.917 -4.227 1.00 0.00 N ATOM 2042 CA LEU A 121 3.072 -2.244 -4.815 1.00 0.00 C ATOM 2043 C LEU A 121 3.173 -0.824 -4.274 1.00 0.00 C ATOM 2044 O LEU A 121 2.219 -0.050 -4.360 1.00 0.00 O ATOM 2045 CB LEU A 121 2.954 -2.217 -6.340 1.00 0.00 C ATOM 2046 CG LEU A 121 4.288 -2.172 -7.089 1.00 0.00 C ATOM 2047 CD1 LEU A 121 4.660 -3.555 -7.602 1.00 0.00 C ATOM 2048 CD2 LEU A 121 4.226 -1.174 -8.235 1.00 0.00 C ATOM 0 H LEU A 121 1.033 -2.694 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 121 3.974 -2.794 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.402 -3.100 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.362 -1.348 -6.629 1.00 0.00 H new ATOM 0 HG LEU A 121 5.061 -1.845 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.611 -3.503 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.750 -4.243 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.886 -3.912 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.184 -1.157 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.440 -1.468 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.009 -0.181 -7.841 1.00 0.00 H new ATOM 2060 N ILE A 122 4.325 -0.484 -3.709 1.00 0.00 N ATOM 2061 CA ILE A 122 4.528 0.848 -3.151 1.00 0.00 C ATOM 2062 C ILE A 122 5.407 1.697 -4.057 1.00 0.00 C ATOM 2063 O ILE A 122 6.522 1.308 -4.402 1.00 0.00 O ATOM 2064 CB ILE A 122 5.156 0.798 -1.742 1.00 0.00 C ATOM 2065 CG1 ILE A 122 6.241 -0.286 -1.667 1.00 0.00 C ATOM 2066 CG2 ILE A 122 4.078 0.570 -0.689 1.00 0.00 C ATOM 2067 CD1 ILE A 122 5.710 -1.676 -1.381 1.00 0.00 C ATOM 0 H ILE A 122 5.128 -1.107 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 122 3.540 1.301 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 122 5.631 1.758 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.786 -0.304 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.956 -0.015 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.536 0.537 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.355 1.384 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.571 -0.375 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.540 -2.382 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 122 5.190 -1.677 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 122 5.018 -1.970 -2.170 1.00 0.00 H new ATOM 2079 N ALA A 123 4.894 2.861 -4.438 1.00 0.00 N ATOM 2080 CA ALA A 123 5.628 3.771 -5.305 1.00 0.00 C ATOM 2081 C ALA A 123 6.280 4.887 -4.498 1.00 0.00 C ATOM 2082 O ALA A 123 5.611 5.600 -3.751 1.00 0.00 O ATOM 2083 CB ALA A 123 4.702 4.352 -6.362 1.00 0.00 C ATOM 0 H ALA A 123 3.972 3.196 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 123 6.418 3.207 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 123 5.263 5.031 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.285 3.545 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.893 4.897 -5.877 1.00 0.00 H new ATOM 2089 N LEU A 124 7.589 5.034 -4.657 1.00 0.00 N ATOM 2090 CA LEU A 124 8.334 6.066 -3.948 1.00 0.00 C ATOM 2091 C LEU A 124 8.533 7.287 -4.837 1.00 0.00 C ATOM 2092 O LEU A 124 9.055 7.179 -5.947 1.00 0.00 O ATOM 2093 CB LEU A 124 9.689 5.521 -3.490 1.00 0.00 C ATOM 2094 CG LEU A 124 9.620 4.449 -2.401 1.00 0.00 C ATOM 2095 CD1 LEU A 124 9.355 3.082 -3.013 1.00 0.00 C ATOM 2096 CD2 LEU A 124 10.908 4.431 -1.588 1.00 0.00 C ATOM 0 H LEU A 124 8.157 4.451 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 124 7.760 6.365 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 124 10.208 5.107 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.293 6.351 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 124 8.794 4.691 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.309 2.332 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 124 8.407 3.101 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.159 2.831 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.841 3.663 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.750 4.214 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.055 5.404 -1.118 1.00 0.00 H new ATOM 2108 N ALA A 125 8.109 8.446 -4.348 1.00 0.00 N ATOM 2109 CA ALA A 125 8.237 9.682 -5.108 1.00 0.00 C ATOM 2110 C ALA A 125 8.820 10.801 -4.254 1.00 0.00 C ATOM 2111 O ALA A 125 8.812 10.729 -3.026 1.00 0.00 O ATOM 2112 CB ALA A 125 6.885 10.096 -5.668 1.00 0.00 C ATOM 0 H ALA A 125 7.675 8.555 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 125 8.924 9.499 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 125 6.993 11.021 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.507 9.312 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.184 10.252 -4.848 1.00 0.00 H new ATOM 2118 N LYS A 126 9.325 11.837 -4.916 1.00 0.00 N ATOM 2119 CA LYS A 126 9.912 12.976 -4.220 1.00 0.00 C ATOM 2120 C LYS A 126 8.901 14.111 -4.090 1.00 0.00 C ATOM 2121 O LYS A 126 8.000 14.251 -4.916 1.00 0.00 O ATOM 2122 CB LYS A 126 11.157 13.466 -4.961 1.00 0.00 C ATOM 2123 CG LYS A 126 11.940 14.524 -4.200 1.00 0.00 C ATOM 2124 CD LYS A 126 13.329 14.719 -4.787 1.00 0.00 C ATOM 2125 CE LYS A 126 14.027 15.922 -4.174 1.00 0.00 C ATOM 2126 NZ LYS A 126 15.490 15.914 -4.448 1.00 0.00 N ATOM 0 H LYS A 126 9.339 11.911 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 126 10.199 12.653 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 126 11.809 12.616 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.858 13.872 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 126 11.397 15.469 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 126 12.024 14.233 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 126 13.927 13.824 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 126 13.254 14.851 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 126 13.588 16.837 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.859 15.929 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 15.956 16.638 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 15.881 14.979 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.656 16.120 -5.454 1.00 0.00 H new ATOM 2140 N GLY A 127 9.058 14.919 -3.047 1.00 0.00 N ATOM 2141 CA GLY A 127 8.152 16.031 -2.828 1.00 0.00 C ATOM 2142 C GLY A 127 8.631 17.307 -3.489 1.00 0.00 C ATOM 2143 O GLY A 127 9.079 18.234 -2.813 1.00 0.00 O ATOM 0 H GLY A 127 9.796 14.824 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.166 15.774 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 127 8.041 16.200 -1.757 1.00 0.00 H new