USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 669 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: C 77 ASN :FLIP amide:sc= 0.501 F(o=-12!,f=-2.9) USER MOD Set 1.2: C 80 ASN : amide:sc= -3.45! C(o=-2.9!,f=-7.9!) USER MOD Set 2.1: C 71 THR OG1 : rot -140:sc= 0.897 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.761 X(o=1.7,f=2.1) USER MOD Set 3.1: C 26 LYS NZ :NH3+ 143:sc= 0.704 (180deg=0.123) USER MOD Set 3.2: C 41 SER OG : rot 180:sc= 0.0538 USER MOD Set 3.3: C 42 ASN : amide:sc= -1.14 K(o=-0.38,f=-1) USER MOD Set 4.1: C 35 GLN :FLIP amide:sc= -0.396 X(o=-4.8,f=-4.4) USER MOD Set 4.2: C 83 ASN : amide:sc= -3.98! C(o=-4.4!,f=-4.8!) USER MOD Set 5.1: C 30 SER OG : rot -87:sc= 0.727 USER MOD Set 5.2: C 32 ASN : amide:sc= 0.648 K(o=1.4,f=0.68) USER MOD Single : C 9 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -0.605 K(o=-0.6,f=-4!) USER MOD Single : C 15 SER OG : rot 82:sc= 0.612 USER MOD Single : C 17 ASN : amide:sc= -1.07! C(o=-1.1!,f=-4.1!) USER MOD Single : C 19 LYS NZ :NH3+ -170:sc= -0.0146 (180deg=-0.15) USER MOD Single : C 21 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.4) USER MOD Single : C 22 LYS NZ :NH3+ -170:sc= -0.208 (180deg=-0.63) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 164:sc= -3.13 (180deg=-3.91!) USER MOD Single : C 34 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.35) USER MOD Single : C 37 LYS NZ :NH3+ 164:sc= -0.0181 (180deg=-0.209) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.105 USER MOD Single : C 40 SER OG : rot 29:sc= -1.89! USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -114:sc= 0.952 (180deg=0.753) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.321 F(o=-2.6!,f=-0.32) USER MOD Single : C 59 ASN : amide:sc= -0.496 K(o=-0.5,f=-8.1!) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 31:sc= 1.25 USER MOD Single : C 67 ASN : amide:sc= 0.443 K(o=0.44,f=-0.06) USER MOD Single : C 69 LYS NZ :NH3+ 141:sc= 0.902 (180deg=0.113) USER MOD Single : C 70 SER OG : rot 85:sc= 0.329 USER MOD Single : C 76 SER OG : rot 61:sc= 0.173 USER MOD Single : C 81 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.14) USER MOD Single : C 85 LYS NZ :NH3+ 151:sc= -0.0329 (180deg=-0.507) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 165:sc=-0.00982 (180deg=-0.156) USER MOD Single : C 93 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.156 -3.584 -1.595 1.00 0.00 N ATOM 126 CA GLN C 9 -10.240 -3.694 -0.466 1.00 0.00 C ATOM 127 C GLN C 9 -10.082 -5.144 -0.014 1.00 0.00 C ATOM 128 O GLN C 9 -9.610 -5.416 1.090 1.00 0.00 O ATOM 129 CB GLN C 9 -10.752 -2.828 0.683 1.00 0.00 C ATOM 130 CG GLN C 9 -10.591 -1.341 0.426 1.00 0.00 C ATOM 131 CD GLN C 9 -11.733 -0.521 0.979 1.00 0.00 C ATOM 132 OE1 GLN C 9 -11.699 -0.067 2.123 1.00 0.00 O ATOM 133 NE2 GLN C 9 -12.761 -0.331 0.166 1.00 0.00 N ATOM 0 HA GLN C 9 -9.257 -3.343 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.805 -3.049 0.855 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.218 -3.093 1.595 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -9.657 -1.000 0.871 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.514 -1.169 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -12.747 -0.726 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -13.567 0.210 0.480 1.00 0.00 H new ATOM 142 N MET C 10 -10.485 -6.069 -0.874 1.00 0.00 N ATOM 143 CA MET C 10 -10.414 -7.493 -0.573 1.00 0.00 C ATOM 144 C MET C 10 -9.012 -8.041 -0.859 1.00 0.00 C ATOM 145 O MET C 10 -8.019 -7.345 -0.641 1.00 0.00 O ATOM 146 CB MET C 10 -11.475 -8.257 -1.371 1.00 0.00 C ATOM 147 CG MET C 10 -12.903 -7.995 -0.913 1.00 0.00 C ATOM 148 SD MET C 10 -13.491 -6.330 -1.289 1.00 0.00 S ATOM 149 CE MET C 10 -15.046 -6.340 -0.400 1.00 0.00 C ATOM 0 H MET C 10 -10.868 -5.856 -1.795 1.00 0.00 H new ATOM 0 HA MET C 10 -10.616 -7.633 0.489 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.387 -7.988 -2.424 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.271 -9.325 -1.297 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.566 -8.720 -1.385 1.00 0.00 H new ATOM 0 HG3 MET C 10 -12.966 -8.159 0.163 1.00 0.00 H new ATOM 0 HE1 MET C 10 -15.544 -5.379 -0.527 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.683 -7.133 -0.791 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.858 -6.514 0.659 1.00 0.00 H new ATOM 159 N ASN C 11 -8.930 -9.281 -1.353 1.00 0.00 N ATOM 160 CA ASN C 11 -7.643 -9.964 -1.562 1.00 0.00 C ATOM 161 C ASN C 11 -6.659 -9.156 -2.400 1.00 0.00 C ATOM 162 O ASN C 11 -5.461 -9.422 -2.358 1.00 0.00 O ATOM 163 CB ASN C 11 -7.840 -11.336 -2.213 1.00 0.00 C ATOM 164 CG ASN C 11 -8.208 -12.413 -1.212 1.00 0.00 C ATOM 165 OD1 ASN C 11 -7.331 -13.015 -0.588 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.495 -12.682 -1.065 1.00 0.00 N ATOM 0 H ASN C 11 -9.743 -9.837 -1.618 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.216 -10.081 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.623 -11.266 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -6.924 -11.623 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.793 -13.411 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.189 -12.161 -1.600 1.00 0.00 H new ATOM 173 N SER C 12 -7.148 -8.174 -3.148 1.00 0.00 N ATOM 174 CA SER C 12 -6.279 -7.326 -3.952 1.00 0.00 C ATOM 175 C SER C 12 -5.177 -6.689 -3.112 1.00 0.00 C ATOM 176 O SER C 12 -4.068 -6.492 -3.597 1.00 0.00 O ATOM 177 CB SER C 12 -7.094 -6.247 -4.655 1.00 0.00 C ATOM 178 OG SER C 12 -8.027 -6.835 -5.538 1.00 0.00 O ATOM 0 H SER C 12 -8.140 -7.946 -3.214 1.00 0.00 H new ATOM 0 HA SER C 12 -5.802 -7.959 -4.700 1.00 0.00 H new ATOM 0 HB2 SER C 12 -7.615 -5.637 -3.917 1.00 0.00 H new ATOM 0 HB3 SER C 12 -6.430 -5.582 -5.207 1.00 0.00 H new ATOM 0 HG SER C 12 -8.545 -6.132 -5.982 1.00 0.00 H new ATOM 184 N ILE C 13 -5.469 -6.381 -1.851 1.00 0.00 N ATOM 185 CA ILE C 13 -4.457 -5.812 -0.972 1.00 0.00 C ATOM 186 C ILE C 13 -3.688 -6.909 -0.242 1.00 0.00 C ATOM 187 O ILE C 13 -2.529 -6.733 0.111 1.00 0.00 O ATOM 188 CB ILE C 13 -5.053 -4.823 0.059 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.087 -5.508 0.962 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.673 -3.627 -0.644 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.540 -5.935 2.308 1.00 0.00 C ATOM 0 H ILE C 13 -6.385 -6.514 -1.422 1.00 0.00 H new ATOM 0 HA ILE C 13 -3.774 -5.254 -1.613 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.237 -4.474 0.691 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -6.924 -4.828 1.120 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.481 -6.384 0.447 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.087 -2.943 0.097 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -4.910 -3.112 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.468 -3.967 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.331 -6.411 2.888 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -4.723 -6.641 2.161 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.172 -5.061 2.845 1.00 0.00 H new ATOM 203 N ASN C 14 -4.333 -8.049 -0.030 1.00 0.00 N ATOM 204 CA ASN C 14 -3.715 -9.147 0.707 1.00 0.00 C ATOM 205 C ASN C 14 -2.652 -9.825 -0.134 1.00 0.00 C ATOM 206 O ASN C 14 -1.571 -10.142 0.357 1.00 0.00 O ATOM 207 CB ASN C 14 -4.744 -10.183 1.116 1.00 0.00 C ATOM 208 CG ASN C 14 -5.836 -9.629 2.008 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.878 -9.183 1.532 1.00 0.00 O ATOM 210 ND2 ASN C 14 -5.603 -9.649 3.308 1.00 0.00 N ATOM 0 H ASN C 14 -5.281 -8.239 -0.356 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.262 -8.719 1.601 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.198 -10.607 0.220 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.241 -10.999 1.635 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.301 -9.286 3.957 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -4.725 -10.028 3.663 1.00 0.00 H new ATOM 217 N SER C 15 -2.968 -10.057 -1.400 1.00 0.00 N ATOM 218 CA SER C 15 -1.997 -10.609 -2.333 1.00 0.00 C ATOM 219 C SER C 15 -0.783 -9.691 -2.404 1.00 0.00 C ATOM 220 O SER C 15 0.354 -10.142 -2.558 1.00 0.00 O ATOM 221 CB SER C 15 -2.635 -10.773 -3.712 1.00 0.00 C ATOM 222 OG SER C 15 -3.859 -11.483 -3.617 1.00 0.00 O ATOM 0 H SER C 15 -3.886 -9.872 -1.804 1.00 0.00 H new ATOM 0 HA SER C 15 -1.674 -11.591 -1.987 1.00 0.00 H new ATOM 0 HB2 SER C 15 -2.811 -9.793 -4.156 1.00 0.00 H new ATOM 0 HB3 SER C 15 -1.951 -11.304 -4.374 1.00 0.00 H new ATOM 0 HG SER C 15 -4.573 -10.869 -3.347 1.00 0.00 H new ATOM 228 N VAL C 16 -1.036 -8.396 -2.261 1.00 0.00 N ATOM 229 CA VAL C 16 0.030 -7.416 -2.202 1.00 0.00 C ATOM 230 C VAL C 16 0.736 -7.485 -0.853 1.00 0.00 C ATOM 231 O VAL C 16 1.948 -7.307 -0.783 1.00 0.00 O ATOM 232 CB VAL C 16 -0.494 -5.987 -2.442 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.633 -4.974 -2.358 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.174 -5.892 -3.792 1.00 0.00 C ATOM 0 H VAL C 16 -1.974 -8.004 -2.184 1.00 0.00 H new ATOM 0 HA VAL C 16 0.737 -7.654 -2.997 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.221 -5.761 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL C 16 0.237 -3.974 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL C 16 1.089 -5.018 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL C 16 1.384 -5.202 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.538 -4.876 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.461 -6.144 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.013 -6.587 -3.827 1.00 0.00 H new ATOM 244 N ASN C 17 -0.010 -7.781 0.215 1.00 0.00 N ATOM 245 CA ASN C 17 0.595 -7.887 1.549 1.00 0.00 C ATOM 246 C ASN C 17 1.674 -8.958 1.552 1.00 0.00 C ATOM 247 O ASN C 17 2.741 -8.781 2.140 1.00 0.00 O ATOM 248 CB ASN C 17 -0.448 -8.214 2.622 1.00 0.00 C ATOM 249 CG ASN C 17 -1.002 -6.984 3.317 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.435 -6.501 4.298 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.116 -6.472 2.828 1.00 0.00 N ATOM 0 H ASN C 17 -1.016 -7.949 0.187 1.00 0.00 H new ATOM 0 HA ASN C 17 1.034 -6.918 1.785 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.270 -8.765 2.164 1.00 0.00 H new ATOM 0 HB3 ASN C 17 0.001 -8.872 3.366 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.534 -5.650 3.264 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.559 -6.898 2.014 1.00 0.00 H new ATOM 258 N ASP C 18 1.391 -10.058 0.868 1.00 0.00 N ATOM 259 CA ASP C 18 2.333 -11.165 0.756 1.00 0.00 C ATOM 260 C ASP C 18 3.460 -10.839 -0.219 1.00 0.00 C ATOM 261 O ASP C 18 4.488 -11.514 -0.243 1.00 0.00 O ATOM 262 CB ASP C 18 1.612 -12.443 0.318 1.00 0.00 C ATOM 263 CG ASP C 18 0.821 -13.076 1.444 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.426 -13.046 1.396 1.00 0.00 O ATOM 265 OD2 ASP C 18 1.444 -13.607 2.386 1.00 0.00 O1- ATOM 0 H ASP C 18 0.509 -10.209 0.378 1.00 0.00 H new ATOM 0 HA ASP C 18 2.772 -11.326 1.741 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.940 -12.212 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP C 18 2.344 -13.159 -0.056 1.00 0.00 H new ATOM 270 N LYS C 19 3.260 -9.813 -1.029 1.00 0.00 N ATOM 271 CA LYS C 19 4.271 -9.385 -1.987 1.00 0.00 C ATOM 272 C LYS C 19 5.213 -8.389 -1.324 1.00 0.00 C ATOM 273 O LYS C 19 6.398 -8.312 -1.647 1.00 0.00 O ATOM 274 CB LYS C 19 3.604 -8.747 -3.208 1.00 0.00 C ATOM 275 CG LYS C 19 4.584 -8.253 -4.262 1.00 0.00 C ATOM 276 CD LYS C 19 3.873 -7.552 -5.409 1.00 0.00 C ATOM 277 CE LYS C 19 2.939 -8.490 -6.162 1.00 0.00 C ATOM 278 NZ LYS C 19 3.670 -9.620 -6.798 1.00 0.00 N1+ ATOM 0 H LYS C 19 2.404 -9.258 -1.044 1.00 0.00 H new ATOM 0 HA LYS C 19 4.842 -10.253 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.933 -9.475 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.990 -7.910 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.297 -7.568 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS C 19 5.156 -9.096 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS C 19 3.303 -6.708 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS C 19 4.612 -7.146 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS C 19 2.191 -8.885 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS C 19 2.403 -7.929 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 3.028 -10.134 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 4.475 -9.250 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 4.018 -10.267 -6.062 1.00 0.00 H new ATOM 292 N LEU C 20 4.662 -7.632 -0.392 1.00 0.00 N ATOM 293 CA LEU C 20 5.406 -6.616 0.335 1.00 0.00 C ATOM 294 C LEU C 20 6.168 -7.238 1.490 1.00 0.00 C ATOM 295 O LEU C 20 7.311 -6.871 1.765 1.00 0.00 O ATOM 296 CB LEU C 20 4.436 -5.564 0.851 1.00 0.00 C ATOM 297 CG LEU C 20 3.582 -4.910 -0.231 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.616 -3.918 0.386 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.463 -4.234 -1.269 1.00 0.00 C ATOM 0 H LEU C 20 3.683 -7.704 -0.116 1.00 0.00 H new ATOM 0 HA LEU C 20 6.128 -6.150 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.778 -6.024 1.588 1.00 0.00 H new ATOM 0 HB3 LEU C 20 5.001 -4.789 1.369 1.00 0.00 H new ATOM 0 HG LEU C 20 3.002 -5.685 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.014 -3.460 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.963 -4.435 1.089 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.175 -3.144 0.912 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.837 -3.773 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.071 -3.468 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.114 -4.975 -1.732 1.00 0.00 H new ATOM 311 N ASN C 21 5.531 -8.184 2.160 1.00 0.00 N ATOM 312 CA ASN C 21 6.178 -8.941 3.220 1.00 0.00 C ATOM 313 C ASN C 21 7.103 -9.995 2.607 1.00 0.00 C ATOM 314 O ASN C 21 6.897 -11.200 2.757 1.00 0.00 O ATOM 315 CB ASN C 21 5.124 -9.584 4.131 1.00 0.00 C ATOM 316 CG ASN C 21 4.627 -8.641 5.220 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.174 -8.616 6.320 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.591 -7.853 4.934 1.00 0.00 N ATOM 0 H ASN C 21 4.561 -8.447 1.988 1.00 0.00 H new ATOM 0 HA ASN C 21 6.781 -8.270 3.832 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.278 -9.910 3.526 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.547 -10.475 4.594 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.232 -7.207 5.637 1.00 0.00 H new ATOM 0 HD22 ASN C 21 3.157 -7.896 4.012 1.00 0.00 H new ATOM 325 N LYS C 22 8.129 -9.509 1.914 1.00 0.00 N ATOM 326 CA LYS C 22 9.031 -10.354 1.134 1.00 0.00 C ATOM 327 C LYS C 22 10.373 -10.567 1.834 1.00 0.00 C ATOM 328 O LYS C 22 11.308 -11.118 1.252 1.00 0.00 O ATOM 329 CB LYS C 22 9.239 -9.744 -0.265 1.00 0.00 C ATOM 330 CG LYS C 22 9.261 -8.216 -0.287 1.00 0.00 C ATOM 331 CD LYS C 22 10.581 -7.637 0.200 1.00 0.00 C ATOM 332 CE LYS C 22 10.380 -6.314 0.933 1.00 0.00 C ATOM 333 NZ LYS C 22 9.501 -5.357 0.192 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.360 -8.516 1.877 1.00 0.00 H new ATOM 0 HA LYS C 22 8.566 -11.335 1.036 1.00 0.00 H new ATOM 0 HB2 LYS C 22 10.178 -10.115 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.444 -10.094 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.070 -7.869 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.451 -7.837 0.336 1.00 0.00 H new ATOM 0 HD2 LYS C 22 11.069 -8.351 0.864 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.247 -7.485 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.946 -6.511 1.913 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.351 -5.849 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.539 -4.425 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 9.831 -5.273 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.522 -5.708 0.200 1.00 0.00 H new ATOM 347 N GLY C 23 10.468 -10.116 3.074 1.00 0.00 N ATOM 348 CA GLY C 23 11.660 -10.351 3.860 1.00 0.00 C ATOM 349 C GLY C 23 12.179 -9.067 4.447 1.00 0.00 C ATOM 350 O GLY C 23 12.222 -8.898 5.663 1.00 0.00 O ATOM 0 H GLY C 23 9.737 -9.589 3.552 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.439 -11.058 4.660 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.428 -10.806 3.235 1.00 0.00 H new ATOM 354 N LYS C 24 12.545 -8.154 3.567 1.00 0.00 N ATOM 355 CA LYS C 24 12.984 -6.828 3.962 1.00 0.00 C ATOM 356 C LYS C 24 11.776 -5.950 4.288 1.00 0.00 C ATOM 357 O LYS C 24 10.694 -6.472 4.552 1.00 0.00 O ATOM 358 CB LYS C 24 13.804 -6.209 2.841 1.00 0.00 C ATOM 359 CG LYS C 24 15.087 -6.963 2.516 1.00 0.00 C ATOM 360 CD LYS C 24 16.208 -6.633 3.485 1.00 0.00 C ATOM 361 CE LYS C 24 16.755 -5.230 3.262 1.00 0.00 C ATOM 362 NZ LYS C 24 17.876 -4.921 4.187 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.547 -8.310 2.559 1.00 0.00 H new ATOM 0 HA LYS C 24 13.605 -6.904 4.855 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.189 -6.157 1.943 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.057 -5.185 3.114 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.892 -8.035 2.540 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.403 -6.719 1.502 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.842 -6.722 4.508 1.00 0.00 H new ATOM 0 HD3 LYS C 24 17.013 -7.359 3.370 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.097 -5.133 2.232 1.00 0.00 H new ATOM 0 HE3 LYS C 24 15.956 -4.502 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.221 -3.957 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.544 -4.989 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.649 -5.600 4.035 1.00 0.00 H new ATOM 376 N GLY C 25 11.962 -4.629 4.255 1.00 0.00 N ATOM 377 CA GLY C 25 10.905 -3.700 4.634 1.00 0.00 C ATOM 378 C GLY C 25 9.583 -3.993 3.983 1.00 0.00 C ATOM 379 O GLY C 25 9.521 -4.375 2.820 1.00 0.00 O ATOM 0 H GLY C 25 12.834 -4.183 3.970 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.781 -3.726 5.717 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.212 -2.687 4.373 1.00 0.00 H new ATOM 383 N LYS C 26 8.524 -3.782 4.723 1.00 0.00 N ATOM 384 CA LYS C 26 7.250 -4.339 4.340 1.00 0.00 C ATOM 385 C LYS C 26 6.079 -3.488 4.809 1.00 0.00 C ATOM 386 O LYS C 26 6.069 -3.016 5.944 1.00 0.00 O ATOM 387 CB LYS C 26 7.196 -5.732 4.944 1.00 0.00 C ATOM 388 CG LYS C 26 7.369 -5.737 6.460 1.00 0.00 C ATOM 389 CD LYS C 26 7.798 -7.101 6.966 1.00 0.00 C ATOM 390 CE LYS C 26 9.312 -7.204 7.011 1.00 0.00 C ATOM 391 NZ LYS C 26 9.773 -8.584 7.315 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.516 -3.235 5.584 1.00 0.00 H new ATOM 0 HA LYS C 26 7.163 -4.371 3.254 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.241 -6.193 4.692 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.975 -6.347 4.494 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.112 -4.992 6.745 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.431 -5.450 6.935 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.387 -7.271 7.961 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.395 -7.879 6.317 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.724 -6.888 6.053 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.699 -6.519 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.634 -8.791 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.980 -8.665 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.029 -9.263 7.058 1.00 0.00 H new ATOM 405 N LEU C 27 5.108 -3.285 3.925 1.00 0.00 N ATOM 406 CA LEU C 27 3.888 -2.576 4.285 1.00 0.00 C ATOM 407 C LEU C 27 2.829 -3.569 4.748 1.00 0.00 C ATOM 408 O LEU C 27 2.533 -4.541 4.048 1.00 0.00 O ATOM 409 CB LEU C 27 3.292 -1.781 3.109 1.00 0.00 C ATOM 410 CG LEU C 27 4.208 -0.787 2.388 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.111 -1.489 1.383 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.379 0.282 1.691 1.00 0.00 C ATOM 0 H LEU C 27 5.143 -3.601 2.956 1.00 0.00 H new ATOM 0 HA LEU C 27 4.162 -1.879 5.077 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.925 -2.496 2.372 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.426 -1.232 3.479 1.00 0.00 H new ATOM 0 HG LEU C 27 4.844 -0.316 3.137 1.00 0.00 H new ATOM 0 HD11 LEU C 27 5.747 -0.754 0.890 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.734 -2.219 1.901 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.500 -1.998 0.638 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.042 0.982 1.182 1.00 0.00 H new ATOM 0 HD22 LEU C 27 2.719 -0.188 0.962 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.782 0.818 2.429 1.00 0.00 H new ATOM 424 N SER C 28 2.277 -3.337 5.920 1.00 0.00 N ATOM 425 CA SER C 28 1.115 -4.079 6.371 1.00 0.00 C ATOM 426 C SER C 28 -0.143 -3.268 6.043 1.00 0.00 C ATOM 427 O SER C 28 -0.495 -2.333 6.765 1.00 0.00 O ATOM 428 CB SER C 28 1.209 -4.332 7.875 1.00 0.00 C ATOM 429 OG SER C 28 2.425 -4.984 8.205 1.00 0.00 O ATOM 0 H SER C 28 2.615 -2.638 6.581 1.00 0.00 H new ATOM 0 HA SER C 28 1.069 -5.043 5.865 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.142 -3.386 8.412 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.366 -4.942 8.198 1.00 0.00 H new ATOM 0 HG SER C 28 2.464 -5.134 9.173 1.00 0.00 H new ATOM 435 N LEU C 29 -0.807 -3.624 4.952 1.00 0.00 N ATOM 436 CA LEU C 29 -1.878 -2.799 4.389 1.00 0.00 C ATOM 437 C LEU C 29 -3.206 -3.022 5.082 1.00 0.00 C ATOM 438 O LEU C 29 -3.681 -4.155 5.180 1.00 0.00 O ATOM 439 CB LEU C 29 -2.044 -3.104 2.900 1.00 0.00 C ATOM 440 CG LEU C 29 -0.749 -3.163 2.093 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.015 -3.748 0.717 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.128 -1.781 1.973 1.00 0.00 C ATOM 0 H LEU C 29 -0.625 -4.483 4.433 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.588 -1.759 4.540 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.559 -4.059 2.798 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.691 -2.344 2.461 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.044 -3.809 2.617 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.084 -3.785 0.151 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.416 -4.756 0.822 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.736 -3.124 0.189 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.794 -1.845 1.395 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.826 -1.111 1.471 1.00 0.00 H new ATOM 0 HD23 LEU C 29 0.094 -1.394 2.968 1.00 0.00 H new ATOM 454 N SER C 30 -3.813 -1.935 5.551 1.00 0.00 N ATOM 455 CA SER C 30 -5.170 -1.999 6.037 1.00 0.00 C ATOM 456 C SER C 30 -5.907 -0.698 5.742 1.00 0.00 C ATOM 457 O SER C 30 -5.416 0.390 6.051 1.00 0.00 O ATOM 458 CB SER C 30 -5.199 -2.292 7.540 1.00 0.00 C ATOM 459 OG SER C 30 -6.531 -2.365 8.027 1.00 0.00 O ATOM 0 H SER C 30 -3.383 -1.011 5.601 1.00 0.00 H new ATOM 0 HA SER C 30 -5.675 -2.813 5.517 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.685 -3.232 7.739 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.656 -1.513 8.075 1.00 0.00 H new ATOM 0 HG SER C 30 -6.837 -1.468 8.277 1.00 0.00 H new ATOM 465 N MET C 31 -7.083 -0.819 5.142 1.00 0.00 N ATOM 466 CA MET C 31 -7.912 0.333 4.836 1.00 0.00 C ATOM 467 C MET C 31 -9.173 0.273 5.679 1.00 0.00 C ATOM 468 O MET C 31 -9.900 -0.720 5.650 1.00 0.00 O ATOM 469 CB MET C 31 -8.271 0.352 3.350 1.00 0.00 C ATOM 470 CG MET C 31 -7.071 0.151 2.442 1.00 0.00 C ATOM 471 SD MET C 31 -7.340 -1.135 1.214 1.00 0.00 S ATOM 472 CE MET C 31 -7.634 -2.550 2.272 1.00 0.00 C ATOM 0 H MET C 31 -7.485 -1.712 4.857 1.00 0.00 H new ATOM 0 HA MET C 31 -7.362 1.246 5.065 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.005 -0.429 3.150 1.00 0.00 H new ATOM 0 HB3 MET C 31 -8.745 1.304 3.110 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.842 1.089 1.936 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.201 -0.106 3.047 1.00 0.00 H new ATOM 0 HE1 MET C 31 -8.091 -3.351 1.690 1.00 0.00 H new ATOM 0 HE2 MET C 31 -6.688 -2.897 2.687 1.00 0.00 H new ATOM 0 HE3 MET C 31 -8.303 -2.265 3.084 1.00 0.00 H new ATOM 482 N ASN C 32 -9.422 1.323 6.436 1.00 0.00 N ATOM 483 CA ASN C 32 -10.527 1.336 7.376 1.00 0.00 C ATOM 484 C ASN C 32 -11.370 2.586 7.193 1.00 0.00 C ATOM 485 O ASN C 32 -11.092 3.623 7.796 1.00 0.00 O ATOM 486 CB ASN C 32 -10.004 1.266 8.817 1.00 0.00 C ATOM 487 CG ASN C 32 -9.244 -0.015 9.110 1.00 0.00 C ATOM 488 OD1 ASN C 32 -8.024 -0.089 8.925 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.955 -1.031 9.573 1.00 0.00 N ATOM 0 H ASN C 32 -8.872 2.182 6.419 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.149 0.462 7.182 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.352 2.119 9.003 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.844 1.350 9.507 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.498 -1.916 9.791 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.960 -0.929 9.712 1.00 0.00 H new ATOM 496 N GLY C 33 -12.387 2.482 6.347 1.00 0.00 N ATOM 497 CA GLY C 33 -13.310 3.584 6.132 1.00 0.00 C ATOM 498 C GLY C 33 -12.639 4.821 5.548 1.00 0.00 C ATOM 499 O GLY C 33 -12.400 4.887 4.343 1.00 0.00 O ATOM 0 H GLY C 33 -12.592 1.646 5.800 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.105 3.258 5.461 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.780 3.846 7.080 1.00 0.00 H new ATOM 503 N ASN C 34 -12.327 5.797 6.399 1.00 0.00 N ATOM 504 CA ASN C 34 -11.719 7.049 5.949 1.00 0.00 C ATOM 505 C ASN C 34 -10.209 7.015 6.113 1.00 0.00 C ATOM 506 O ASN C 34 -9.548 8.052 6.038 1.00 0.00 O ATOM 507 CB ASN C 34 -12.253 8.239 6.753 1.00 0.00 C ATOM 508 CG ASN C 34 -11.919 8.150 8.237 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.771 7.801 9.056 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.667 8.415 8.594 1.00 0.00 N ATOM 0 H ASN C 34 -12.485 5.745 7.405 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.976 7.163 4.896 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.837 9.161 6.347 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.335 8.297 6.632 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.387 8.332 9.571 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.986 8.702 7.891 1.00 0.00 H new ATOM 517 N GLN C 35 -9.663 5.843 6.353 1.00 0.00 N ATOM 518 CA GLN C 35 -8.270 5.739 6.718 1.00 0.00 C ATOM 519 C GLN C 35 -7.573 4.602 5.998 1.00 0.00 C ATOM 520 O GLN C 35 -8.165 3.565 5.706 1.00 0.00 O ATOM 521 CB GLN C 35 -8.138 5.539 8.223 1.00 0.00 C ATOM 522 CG GLN C 35 -6.704 5.345 8.675 1.00 0.00 C ATOM 523 CD GLN C 35 -6.593 5.063 10.159 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.690 3.799 10.532 1.00 0.00 O flip ATOM 525 NE2 GLN C 35 -6.438 5.977 10.964 1.00 0.00 N flip ATOM 0 H GLN C 35 -10.160 4.954 6.302 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.789 6.670 6.419 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.561 6.403 8.736 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.727 4.671 8.521 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.260 4.520 8.118 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.127 6.238 8.435 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.368 6.940 10.635 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.380 5.773 11.962 1.00 0.00 H new ATOM 534 N LEU C 36 -6.306 4.822 5.725 1.00 0.00 N ATOM 535 CA LEU C 36 -5.423 3.800 5.217 1.00 0.00 C ATOM 536 C LEU C 36 -4.156 3.815 6.061 1.00 0.00 C ATOM 537 O LEU C 36 -3.430 4.802 6.066 1.00 0.00 O ATOM 538 CB LEU C 36 -5.137 4.061 3.734 1.00 0.00 C ATOM 539 CG LEU C 36 -4.008 3.246 3.092 1.00 0.00 C ATOM 540 CD1 LEU C 36 -4.121 1.770 3.430 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.030 3.433 1.584 1.00 0.00 C ATOM 0 H LEU C 36 -5.856 5.728 5.852 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.876 2.811 5.285 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.053 3.873 3.174 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.902 5.119 3.615 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.062 3.610 3.494 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -3.304 1.225 2.957 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -4.067 1.639 4.511 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -5.073 1.385 3.065 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -3.226 2.852 1.133 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -4.988 3.094 1.189 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -3.892 4.488 1.346 1.00 0.00 H new ATOM 553 N LYS C 37 -3.928 2.744 6.811 1.00 0.00 N ATOM 554 CA LYS C 37 -2.786 2.666 7.713 1.00 0.00 C ATOM 555 C LYS C 37 -1.953 1.432 7.342 1.00 0.00 C ATOM 556 O LYS C 37 -2.346 0.289 7.592 1.00 0.00 O ATOM 557 CB LYS C 37 -3.267 2.574 9.175 1.00 0.00 C ATOM 558 CG LYS C 37 -4.149 1.367 9.476 1.00 0.00 C ATOM 559 CD LYS C 37 -4.535 1.306 10.945 1.00 0.00 C ATOM 560 CE LYS C 37 -5.184 -0.024 11.298 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.214 -1.149 11.237 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.521 1.914 6.812 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.174 3.563 7.616 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.396 2.544 9.830 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.819 3.481 9.420 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.050 1.413 8.864 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.623 0.453 9.200 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.648 1.454 11.561 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.223 2.120 11.175 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.609 0.034 12.300 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.009 -0.219 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -4.607 -1.974 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.033 -1.398 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -3.323 -0.864 11.690 1.00 0.00 H new ATOM 575 N ALA C 38 -0.834 1.659 6.696 1.00 0.00 N ATOM 576 CA ALA C 38 0.095 0.590 6.382 1.00 0.00 C ATOM 577 C ALA C 38 1.380 0.764 7.173 1.00 0.00 C ATOM 578 O ALA C 38 2.077 1.763 7.024 1.00 0.00 O ATOM 579 CB ALA C 38 0.387 0.566 4.889 1.00 0.00 C ATOM 0 H ALA C 38 -0.540 2.581 6.374 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.358 -0.362 6.660 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.085 -0.241 4.668 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.540 0.404 4.339 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.825 1.518 4.589 1.00 0.00 H new ATOM 585 N THR C 39 1.705 -0.201 8.008 1.00 0.00 N ATOM 586 CA THR C 39 2.883 -0.085 8.843 1.00 0.00 C ATOM 587 C THR C 39 4.053 -0.813 8.206 1.00 0.00 C ATOM 588 O THR C 39 3.870 -1.814 7.518 1.00 0.00 O ATOM 589 CB THR C 39 2.630 -0.640 10.255 1.00 0.00 C ATOM 590 OG1 THR C 39 2.149 -1.985 10.168 1.00 0.00 O ATOM 591 CG2 THR C 39 1.627 0.223 11.004 1.00 0.00 C ATOM 0 H THR C 39 1.177 -1.066 8.126 1.00 0.00 H new ATOM 0 HA THR C 39 3.121 0.975 8.933 1.00 0.00 H new ATOM 0 HB THR C 39 3.571 -0.627 10.805 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.991 -2.335 11.070 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.464 -0.189 12.000 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.014 1.238 11.090 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.683 0.239 10.459 1.00 0.00 H new ATOM 599 N SER C 40 5.243 -0.301 8.436 1.00 0.00 N ATOM 600 CA SER C 40 6.438 -0.829 7.810 1.00 0.00 C ATOM 601 C SER C 40 7.304 -1.538 8.833 1.00 0.00 C ATOM 602 O SER C 40 7.743 -0.940 9.816 1.00 0.00 O ATOM 603 CB SER C 40 7.210 0.305 7.146 1.00 0.00 C ATOM 604 OG SER C 40 7.537 1.317 8.083 1.00 0.00 O ATOM 0 H SER C 40 5.410 0.489 9.059 1.00 0.00 H new ATOM 0 HA SER C 40 6.152 -1.555 7.049 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.122 -0.087 6.696 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.614 0.731 6.339 1.00 0.00 H new ATOM 0 HG SER C 40 7.632 0.920 8.974 1.00 0.00 H new ATOM 610 N SER C 41 7.534 -2.819 8.618 1.00 0.00 N ATOM 611 CA SER C 41 8.386 -3.572 9.506 1.00 0.00 C ATOM 612 C SER C 41 9.803 -3.610 8.952 1.00 0.00 C ATOM 613 O SER C 41 10.056 -3.103 7.852 1.00 0.00 O ATOM 614 CB SER C 41 7.835 -4.982 9.736 1.00 0.00 C ATOM 615 OG SER C 41 8.546 -5.656 10.762 1.00 0.00 O ATOM 0 H SER C 41 7.144 -3.353 7.841 1.00 0.00 H new ATOM 0 HA SER C 41 8.409 -3.076 10.476 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.780 -4.923 10.002 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.899 -5.554 8.811 1.00 0.00 H new ATOM 0 HG SER C 41 8.170 -6.552 10.886 1.00 0.00 H new ATOM 621 N ASN C 42 10.715 -4.198 9.720 1.00 0.00 N ATOM 622 CA ASN C 42 12.142 -4.186 9.401 1.00 0.00 C ATOM 623 C ASN C 42 12.674 -2.763 9.416 1.00 0.00 C ATOM 624 O ASN C 42 13.585 -2.418 8.663 1.00 0.00 O ATOM 625 CB ASN C 42 12.427 -4.852 8.052 1.00 0.00 C ATOM 626 CG ASN C 42 12.474 -6.362 8.152 1.00 0.00 C ATOM 627 OD1 ASN C 42 11.752 -6.970 8.940 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.339 -6.977 7.368 1.00 0.00 N ATOM 0 H ASN C 42 10.488 -4.696 10.581 1.00 0.00 H new ATOM 0 HA ASN C 42 12.658 -4.765 10.167 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.657 -4.562 7.337 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.377 -4.487 7.663 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.426 -7.993 7.403 1.00 0.00 H new ATOM 0 HD22 ASN C 42 13.920 -6.437 6.727 1.00 0.00 H new ATOM 635 N ALA C 43 12.069 -1.946 10.276 1.00 0.00 N ATOM 636 CA ALA C 43 12.486 -0.564 10.506 1.00 0.00 C ATOM 637 C ALA C 43 12.260 0.333 9.289 1.00 0.00 C ATOM 638 O ALA C 43 12.730 1.472 9.253 1.00 0.00 O ATOM 639 CB ALA C 43 13.936 -0.515 10.949 1.00 0.00 C ATOM 0 H ALA C 43 11.267 -2.228 10.839 1.00 0.00 H new ATOM 0 HA ALA C 43 11.856 -0.171 11.304 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.231 0.521 11.116 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.053 -1.079 11.874 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.568 -0.952 10.175 1.00 0.00 H new ATOM 645 N GLY C 44 11.542 -0.173 8.298 1.00 0.00 N ATOM 646 CA GLY C 44 11.156 0.663 7.183 1.00 0.00 C ATOM 647 C GLY C 44 12.150 0.671 6.041 1.00 0.00 C ATOM 648 O GLY C 44 12.201 1.637 5.284 1.00 0.00 O ATOM 0 H GLY C 44 11.222 -1.140 8.246 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.190 0.325 6.807 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.020 1.684 7.539 1.00 0.00 H new ATOM 652 N TYR C 45 12.948 -0.383 5.913 1.00 0.00 N ATOM 653 CA TYR C 45 13.834 -0.517 4.754 1.00 0.00 C ATOM 654 C TYR C 45 13.023 -0.853 3.502 1.00 0.00 C ATOM 655 O TYR C 45 11.805 -0.955 3.572 1.00 0.00 O ATOM 656 CB TYR C 45 14.913 -1.575 5.001 1.00 0.00 C ATOM 657 CG TYR C 45 16.052 -1.080 5.873 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.006 -1.198 7.257 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.177 -0.489 5.305 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.044 -0.743 8.048 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.218 -0.032 6.091 1.00 0.00 C ATOM 662 CZ TYR C 45 18.147 -0.161 7.461 1.00 0.00 C ATOM 663 OH TYR C 45 19.184 0.294 8.247 1.00 0.00 O ATOM 0 H TYR C 45 13.003 -1.149 6.585 1.00 0.00 H new ATOM 0 HA TYR C 45 14.336 0.438 4.598 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.457 -2.446 5.471 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.315 -1.904 4.043 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.144 -1.653 7.722 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.237 -0.386 4.232 1.00 0.00 H new ATOM 0 HE1 TYR C 45 16.991 -0.843 9.122 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.083 0.424 5.633 1.00 0.00 H new ATOM 0 HH TYR C 45 19.884 0.676 7.677 1.00 0.00 H new ATOM 673 N GLY C 46 13.693 -1.021 2.370 1.00 0.00 N ATOM 674 CA GLY C 46 12.992 -1.238 1.110 1.00 0.00 C ATOM 675 C GLY C 46 12.911 -2.701 0.711 1.00 0.00 C ATOM 676 O GLY C 46 12.992 -3.588 1.562 1.00 0.00 O ATOM 0 H GLY C 46 14.710 -1.012 2.297 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.983 -0.834 1.190 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.497 -0.681 0.321 1.00 0.00 H new ATOM 680 N ILE C 47 12.719 -2.936 -0.590 1.00 0.00 N ATOM 681 CA ILE C 47 12.705 -4.281 -1.170 1.00 0.00 C ATOM 682 C ILE C 47 13.908 -5.072 -0.734 1.00 0.00 C ATOM 683 O ILE C 47 13.788 -6.092 -0.065 1.00 0.00 O ATOM 684 CB ILE C 47 12.778 -4.239 -2.699 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.634 -3.433 -3.277 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.781 -5.649 -3.279 1.00 0.00 C ATOM 687 CD1 ILE C 47 11.741 -3.230 -4.764 1.00 0.00 C ATOM 0 H ILE C 47 12.568 -2.194 -1.274 1.00 0.00 H new ATOM 0 HA ILE C 47 11.775 -4.737 -0.831 1.00 0.00 H new ATOM 0 HB ILE C 47 13.712 -3.749 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.694 -3.937 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.599 -2.460 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.833 -5.595 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.645 -6.196 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.867 -6.165 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE C 47 10.890 -2.645 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE C 47 12.665 -2.699 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE C 47 11.745 -4.199 -5.264 1.00 0.00 H new ATOM 699 N SER C 48 15.058 -4.592 -1.182 1.00 0.00 N ATOM 700 CA SER C 48 16.329 -5.214 -0.918 1.00 0.00 C ATOM 701 C SER C 48 17.410 -4.492 -1.722 1.00 0.00 C ATOM 702 O SER C 48 18.206 -3.732 -1.168 1.00 0.00 O ATOM 703 CB SER C 48 16.294 -6.709 -1.264 1.00 0.00 C ATOM 704 OG SER C 48 17.500 -7.359 -0.893 1.00 0.00 O ATOM 0 H SER C 48 15.126 -3.746 -1.747 1.00 0.00 H new ATOM 0 HA SER C 48 16.555 -5.135 0.145 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.454 -7.181 -0.755 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.128 -6.832 -2.334 1.00 0.00 H new ATOM 0 HG SER C 48 17.444 -8.309 -1.126 1.00 0.00 H new ATOM 710 N TYR C 49 17.413 -4.709 -3.038 1.00 0.00 N ATOM 711 CA TYR C 49 18.348 -4.024 -3.927 1.00 0.00 C ATOM 712 C TYR C 49 17.685 -3.626 -5.248 1.00 0.00 C ATOM 713 O TYR C 49 18.033 -2.600 -5.833 1.00 0.00 O ATOM 714 CB TYR C 49 19.587 -4.889 -4.199 1.00 0.00 C ATOM 715 CG TYR C 49 20.499 -5.045 -2.993 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.739 -6.293 -2.413 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.119 -3.935 -2.424 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.566 -6.420 -1.315 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.945 -4.061 -1.328 1.00 0.00 C ATOM 720 CZ TYR C 49 22.166 -5.304 -0.778 1.00 0.00 C ATOM 721 OH TYR C 49 22.991 -5.431 0.315 1.00 0.00 O ATOM 0 H TYR C 49 16.779 -5.353 -3.510 1.00 0.00 H new ATOM 0 HA TYR C 49 18.662 -3.113 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.265 -5.876 -4.530 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.155 -4.448 -5.018 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.270 -7.172 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.949 -2.957 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR C 49 21.742 -7.392 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR C 49 22.417 -3.188 -0.902 1.00 0.00 H new ATOM 0 HH TYR C 49 23.335 -4.549 0.569 1.00 0.00 H new ATOM 731 N GLU C 50 16.730 -4.422 -5.721 1.00 0.00 N ATOM 732 CA GLU C 50 16.049 -4.128 -6.980 1.00 0.00 C ATOM 733 C GLU C 50 14.891 -3.167 -6.755 1.00 0.00 C ATOM 734 O GLU C 50 14.611 -2.782 -5.623 1.00 0.00 O ATOM 735 CB GLU C 50 15.548 -5.421 -7.627 1.00 0.00 C ATOM 736 CG GLU C 50 14.528 -6.167 -6.784 1.00 0.00 C ATOM 737 CD GLU C 50 14.072 -7.453 -7.433 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.702 -8.502 -7.198 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.072 -7.424 -8.176 1.00 0.00 O1- ATOM 0 H GLU C 50 16.411 -5.271 -5.255 1.00 0.00 H new ATOM 0 HA GLU C 50 16.763 -3.653 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.105 -5.185 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.399 -6.076 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.960 -6.389 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.664 -5.525 -6.611 1.00 0.00 H new ATOM 746 N ASP C 51 14.225 -2.786 -7.836 1.00 0.00 N ATOM 747 CA ASP C 51 13.175 -1.774 -7.772 1.00 0.00 C ATOM 748 C ASP C 51 11.856 -2.279 -8.321 1.00 0.00 C ATOM 749 O ASP C 51 11.822 -3.010 -9.308 1.00 0.00 O ATOM 750 CB ASP C 51 13.592 -0.531 -8.557 1.00 0.00 C ATOM 751 CG ASP C 51 12.493 0.510 -8.615 1.00 0.00 C ATOM 752 OD1 ASP C 51 12.232 1.153 -7.579 1.00 0.00 O ATOM 753 OD2 ASP C 51 11.892 0.691 -9.697 1.00 0.00 O1- ATOM 0 H ASP C 51 14.392 -3.162 -8.770 1.00 0.00 H new ATOM 0 HA ASP C 51 13.036 -1.530 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP C 51 14.479 -0.094 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP C 51 13.869 -0.820 -9.571 1.00 0.00 H new ATOM 758 N LYS C 52 10.772 -1.872 -7.670 1.00 0.00 N ATOM 759 CA LYS C 52 9.433 -2.154 -8.154 1.00 0.00 C ATOM 760 C LYS C 52 8.664 -0.862 -8.312 1.00 0.00 C ATOM 761 O LYS C 52 8.923 0.121 -7.615 1.00 0.00 O ATOM 762 CB LYS C 52 8.655 -3.075 -7.211 1.00 0.00 C ATOM 763 CG LYS C 52 9.273 -4.443 -7.026 1.00 0.00 C ATOM 764 CD LYS C 52 9.724 -5.046 -8.343 1.00 0.00 C ATOM 765 CE LYS C 52 9.788 -6.563 -8.274 1.00 0.00 C ATOM 766 NZ LYS C 52 10.683 -7.044 -7.193 1.00 0.00 N1+ ATOM 0 H LYS C 52 10.799 -1.342 -6.799 1.00 0.00 H new ATOM 0 HA LYS C 52 9.540 -2.661 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.572 -2.592 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS C 52 7.642 -3.196 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.126 -4.367 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS C 52 8.550 -5.107 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS C 52 9.037 -4.746 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS C 52 10.706 -4.652 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS C 52 8.785 -6.959 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.136 -6.953 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.502 -7.530 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.012 -6.235 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 10.163 -7.705 -6.580 1.00 0.00 H new ATOM 780 N ASN C 53 7.707 -0.884 -9.212 1.00 0.00 N ATOM 781 CA ASN C 53 6.874 0.281 -9.477 1.00 0.00 C ATOM 782 C ASN C 53 5.549 0.163 -8.746 1.00 0.00 C ATOM 783 O ASN C 53 4.728 -0.701 -9.050 1.00 0.00 O ATOM 784 CB ASN C 53 6.655 0.485 -10.981 1.00 0.00 C ATOM 785 CG ASN C 53 6.600 -0.817 -11.752 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.414 -1.378 -11.890 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 7.624 -1.316 -12.218 1.00 0.00 N flip ATOM 0 H ASN C 53 7.480 -1.700 -9.780 1.00 0.00 H new ATOM 0 HA ASN C 53 7.398 1.160 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN C 53 5.725 1.033 -11.136 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.460 1.103 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.522 -0.850 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN C 53 7.574 -2.195 -12.733 1.00 0.00 H new ATOM 794 N TRP C 54 5.362 1.037 -7.770 1.00 0.00 N ATOM 795 CA TRP C 54 4.215 0.978 -6.883 1.00 0.00 C ATOM 796 C TRP C 54 3.145 2.010 -7.234 1.00 0.00 C ATOM 797 O TRP C 54 3.432 2.984 -7.925 1.00 0.00 O ATOM 798 CB TRP C 54 4.690 1.228 -5.469 1.00 0.00 C ATOM 799 CG TRP C 54 4.362 0.107 -4.570 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.152 -0.935 -4.202 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.119 -0.077 -3.948 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.446 -1.771 -3.365 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.184 -1.255 -3.196 1.00 0.00 C ATOM 804 CE3 TRP C 54 1.954 0.661 -3.963 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.094 -1.708 -2.460 1.00 0.00 C ATOM 806 CZ3 TRP C 54 0.892 0.220 -3.246 1.00 0.00 C ATOM 807 CH2 TRP C 54 0.962 -0.959 -2.501 1.00 0.00 C ATOM 0 H TRP C 54 6.002 1.806 -7.572 1.00 0.00 H new ATOM 0 HA TRP C 54 3.763 -0.008 -6.988 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.768 1.387 -5.472 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.234 2.142 -5.090 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.174 -1.085 -4.517 1.00 0.00 H new ATOM 0 HE1 TRP C 54 4.801 -2.629 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP C 54 1.889 1.574 -4.536 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.146 -2.618 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 -0.025 0.791 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.095 -1.283 -1.944 1.00 0.00 H new ATOM 818 N GLY C 55 1.913 1.814 -6.739 1.00 0.00 N ATOM 819 CA GLY C 55 0.874 2.779 -7.010 1.00 0.00 C ATOM 820 C GLY C 55 -0.291 2.746 -6.036 1.00 0.00 C ATOM 821 O GLY C 55 -0.618 1.712 -5.461 1.00 0.00 O ATOM 0 H GLY C 55 1.632 1.017 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.312 3.777 -6.998 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.493 2.610 -8.017 1.00 0.00 H new ATOM 825 N ILE C 56 -0.912 3.895 -5.847 1.00 0.00 N ATOM 826 CA ILE C 56 -2.161 3.981 -5.097 1.00 0.00 C ATOM 827 C ILE C 56 -3.261 4.549 -5.981 1.00 0.00 C ATOM 828 O ILE C 56 -3.040 5.525 -6.699 1.00 0.00 O ATOM 829 CB ILE C 56 -2.014 4.856 -3.836 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.906 4.296 -2.956 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.328 4.920 -3.064 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.726 5.032 -1.649 1.00 0.00 C ATOM 0 H ILE C 56 -0.573 4.789 -6.203 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.422 2.971 -4.780 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.754 5.870 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.119 3.248 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.033 4.325 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.200 5.543 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.103 5.348 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.621 3.915 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.082 4.572 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.480 6.075 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.650 4.981 -1.073 1.00 0.00 H new ATOM 844 N PHE C 57 -4.439 3.936 -5.934 1.00 0.00 N ATOM 845 CA PHE C 57 -5.556 4.361 -6.766 1.00 0.00 C ATOM 846 C PHE C 57 -6.836 4.469 -5.940 1.00 0.00 C ATOM 847 O PHE C 57 -7.019 3.743 -4.961 1.00 0.00 O ATOM 848 CB PHE C 57 -5.787 3.373 -7.920 1.00 0.00 C ATOM 849 CG PHE C 57 -4.574 3.106 -8.767 1.00 0.00 C ATOM 850 CD1 PHE C 57 -4.325 3.860 -9.899 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.689 2.093 -8.431 1.00 0.00 C ATOM 852 CE1 PHE C 57 -3.215 3.611 -10.682 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.577 1.841 -9.211 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.340 2.601 -10.337 1.00 0.00 C ATOM 0 H PHE C 57 -4.644 3.142 -5.327 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.305 5.340 -7.175 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.141 2.428 -7.507 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.582 3.759 -8.558 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -5.006 4.652 -10.174 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.871 1.495 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -3.032 4.207 -11.564 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.894 1.050 -8.939 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.471 2.406 -10.948 1.00 0.00 H new ATOM 864 N VAL C 58 -7.706 5.387 -6.329 1.00 0.00 N ATOM 865 CA VAL C 58 -9.030 5.491 -5.735 1.00 0.00 C ATOM 866 C VAL C 58 -10.034 5.882 -6.814 1.00 0.00 C ATOM 867 O VAL C 58 -9.788 6.798 -7.598 1.00 0.00 O ATOM 868 CB VAL C 58 -9.083 6.501 -4.555 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.934 7.941 -5.029 1.00 0.00 C ATOM 870 CG2 VAL C 58 -10.372 6.329 -3.764 1.00 0.00 C ATOM 0 H VAL C 58 -7.518 6.075 -7.058 1.00 0.00 H new ATOM 0 HA VAL C 58 -9.284 4.516 -5.319 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.237 6.285 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.977 8.613 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.976 8.060 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.742 8.182 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.392 7.044 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -11.226 6.504 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.422 5.316 -3.365 1.00 0.00 H new ATOM 880 N ASN C 59 -11.131 5.141 -6.890 1.00 0.00 N ATOM 881 CA ASN C 59 -12.178 5.386 -7.880 1.00 0.00 C ATOM 882 C ASN C 59 -11.614 5.355 -9.298 1.00 0.00 C ATOM 883 O ASN C 59 -12.127 6.016 -10.202 1.00 0.00 O ATOM 884 CB ASN C 59 -12.878 6.724 -7.612 1.00 0.00 C ATOM 885 CG ASN C 59 -13.572 6.752 -6.266 1.00 0.00 C ATOM 886 OD1 ASN C 59 -14.003 5.721 -5.756 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.681 7.931 -5.677 1.00 0.00 N ATOM 0 H ASN C 59 -11.323 4.354 -6.270 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.913 4.586 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.145 7.530 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.609 6.913 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.136 8.006 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.310 8.765 -6.133 1.00 0.00 H new ATOM 894 N GLY C 60 -10.540 4.596 -9.481 1.00 0.00 N ATOM 895 CA GLY C 60 -9.963 4.419 -10.800 1.00 0.00 C ATOM 896 C GLY C 60 -8.930 5.473 -11.165 1.00 0.00 C ATOM 897 O GLY C 60 -8.388 5.446 -12.268 1.00 0.00 O ATOM 0 H GLY C 60 -10.056 4.097 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -9.498 3.434 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.762 4.435 -11.541 1.00 0.00 H new ATOM 901 N GLU C 61 -8.650 6.401 -10.258 1.00 0.00 N ATOM 902 CA GLU C 61 -7.659 7.440 -10.528 1.00 0.00 C ATOM 903 C GLU C 61 -6.441 7.259 -9.631 1.00 0.00 C ATOM 904 O GLU C 61 -6.525 6.641 -8.568 1.00 0.00 O ATOM 905 CB GLU C 61 -8.257 8.833 -10.319 1.00 0.00 C ATOM 906 CG GLU C 61 -8.487 9.185 -8.862 1.00 0.00 C ATOM 907 CD GLU C 61 -9.195 10.506 -8.688 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.509 11.535 -8.496 1.00 0.00 O ATOM 909 OE2 GLU C 61 -10.444 10.524 -8.737 1.00 0.00 O1- ATOM 0 H GLU C 61 -9.088 6.457 -9.339 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.351 7.348 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -7.592 9.574 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -9.205 8.896 -10.853 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -9.075 8.397 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.528 9.220 -8.345 1.00 0.00 H new ATOM 916 N LYS C 62 -5.316 7.803 -10.063 1.00 0.00 N ATOM 917 CA LYS C 62 -4.073 7.688 -9.322 1.00 0.00 C ATOM 918 C LYS C 62 -4.052 8.634 -8.131 1.00 0.00 C ATOM 919 O LYS C 62 -4.374 9.816 -8.251 1.00 0.00 O ATOM 920 CB LYS C 62 -2.886 7.981 -10.235 1.00 0.00 C ATOM 921 CG LYS C 62 -2.692 6.943 -11.326 1.00 0.00 C ATOM 922 CD LYS C 62 -1.513 7.275 -12.228 1.00 0.00 C ATOM 923 CE LYS C 62 -0.203 7.299 -11.458 1.00 0.00 C ATOM 924 NZ LYS C 62 0.961 7.521 -12.353 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.239 8.333 -10.931 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.999 6.666 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.024 8.959 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.979 8.038 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.536 5.965 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -3.599 6.875 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -1.450 6.539 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.676 8.245 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.238 8.087 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.077 6.356 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.835 7.531 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.010 6.755 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.854 8.433 -12.842 1.00 0.00 H new ATOM 938 N VAL C 63 -3.683 8.095 -6.982 1.00 0.00 N ATOM 939 CA VAL C 63 -3.544 8.877 -5.765 1.00 0.00 C ATOM 940 C VAL C 63 -2.083 9.193 -5.505 1.00 0.00 C ATOM 941 O VAL C 63 -1.708 10.340 -5.273 1.00 0.00 O ATOM 942 CB VAL C 63 -4.098 8.128 -4.549 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.958 8.955 -3.279 1.00 0.00 C ATOM 944 CG2 VAL C 63 -5.540 7.726 -4.774 1.00 0.00 C ATOM 0 H VAL C 63 -3.471 7.104 -6.866 1.00 0.00 H new ATOM 0 HA VAL C 63 -4.112 9.796 -5.908 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.508 7.221 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.360 8.396 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.905 9.173 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -4.508 9.889 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.911 7.196 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -6.144 8.618 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -5.604 7.075 -5.646 1.00 0.00 H new ATOM 954 N TYR C 64 -1.258 8.162 -5.566 1.00 0.00 N ATOM 955 CA TYR C 64 0.138 8.279 -5.193 1.00 0.00 C ATOM 956 C TYR C 64 0.948 7.179 -5.870 1.00 0.00 C ATOM 957 O TYR C 64 0.387 6.193 -6.340 1.00 0.00 O ATOM 958 CB TYR C 64 0.256 8.176 -3.666 1.00 0.00 C ATOM 959 CG TYR C 64 1.629 8.484 -3.119 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.459 7.471 -2.656 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.093 9.790 -3.064 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.713 7.752 -2.154 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.343 10.080 -2.566 1.00 0.00 C ATOM 964 CZ TYR C 64 4.153 9.060 -2.112 1.00 0.00 C ATOM 965 OH TYR C 64 5.402 9.354 -1.611 1.00 0.00 O ATOM 0 H TYR C 64 -1.535 7.229 -5.873 1.00 0.00 H new ATOM 0 HA TYR C 64 0.531 9.242 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.463 8.858 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.025 7.168 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.117 6.447 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.463 10.593 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.346 6.954 -1.796 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.688 11.103 -2.531 1.00 0.00 H new ATOM 0 HH TYR C 64 5.553 10.321 -1.656 1.00 0.00 H new ATOM 975 N THR C 65 2.255 7.361 -5.936 1.00 0.00 N ATOM 976 CA THR C 65 3.141 6.347 -6.473 1.00 0.00 C ATOM 977 C THR C 65 4.466 6.388 -5.715 1.00 0.00 C ATOM 978 O THR C 65 4.779 7.399 -5.079 1.00 0.00 O ATOM 979 CB THR C 65 3.400 6.576 -7.980 1.00 0.00 C ATOM 980 OG1 THR C 65 3.959 5.401 -8.580 1.00 0.00 O ATOM 981 CG2 THR C 65 4.351 7.742 -8.206 1.00 0.00 C ATOM 0 H THR C 65 2.728 8.208 -5.622 1.00 0.00 H new ATOM 0 HA THR C 65 2.668 5.372 -6.353 1.00 0.00 H new ATOM 0 HB THR C 65 2.439 6.805 -8.442 1.00 0.00 H new ATOM 0 HG1 THR C 65 3.628 4.606 -8.112 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.513 7.877 -9.275 1.00 0.00 H new ATOM 0 HG22 THR C 65 3.919 8.651 -7.787 1.00 0.00 H new ATOM 0 HG23 THR C 65 5.303 7.535 -7.718 1.00 0.00 H new ATOM 989 N PHE C 66 5.235 5.307 -5.764 1.00 0.00 N ATOM 990 CA PHE C 66 6.546 5.283 -5.128 1.00 0.00 C ATOM 991 C PHE C 66 7.335 4.056 -5.553 1.00 0.00 C ATOM 992 O PHE C 66 6.870 3.253 -6.363 1.00 0.00 O ATOM 993 CB PHE C 66 6.422 5.331 -3.598 1.00 0.00 C ATOM 994 CG PHE C 66 5.779 4.123 -2.968 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.555 3.063 -2.521 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.405 4.058 -2.802 1.00 0.00 C ATOM 997 CE1 PHE C 66 5.975 1.964 -1.919 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.818 2.958 -2.204 1.00 0.00 C ATOM 999 CZ PHE C 66 4.604 1.913 -1.760 1.00 0.00 C ATOM 0 H PHE C 66 4.975 4.440 -6.235 1.00 0.00 H new ATOM 0 HA PHE C 66 7.085 6.172 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.418 5.456 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.845 6.214 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.627 3.098 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.786 4.875 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.591 1.147 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.745 2.916 -2.084 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.147 1.056 -1.288 1.00 0.00 H new ATOM 1009 N ASN C 67 8.530 3.928 -5.001 1.00 0.00 N ATOM 1010 CA ASN C 67 9.415 2.820 -5.311 1.00 0.00 C ATOM 1011 C ASN C 67 9.717 2.033 -4.042 1.00 0.00 C ATOM 1012 O ASN C 67 10.232 2.584 -3.070 1.00 0.00 O ATOM 1013 CB ASN C 67 10.704 3.349 -5.944 1.00 0.00 C ATOM 1014 CG ASN C 67 10.462 3.980 -7.303 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.158 5.170 -7.405 1.00 0.00 O ATOM 1016 ND2 ASN C 67 10.611 3.199 -8.357 1.00 0.00 N ATOM 0 H ASN C 67 8.913 4.590 -4.326 1.00 0.00 H new ATOM 0 HA ASN C 67 8.930 2.153 -6.024 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.157 4.085 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.417 2.531 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN C 67 10.474 3.576 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.863 2.218 -8.234 1.00 0.00 H new ATOM 1023 N GLU C 68 9.394 0.745 -4.066 1.00 0.00 N ATOM 1024 CA GLU C 68 9.455 -0.111 -2.887 1.00 0.00 C ATOM 1025 C GLU C 68 10.863 -0.218 -2.303 1.00 0.00 C ATOM 1026 O GLU C 68 11.029 -0.524 -1.127 1.00 0.00 O ATOM 1027 CB GLU C 68 8.943 -1.493 -3.285 1.00 0.00 C ATOM 1028 CG GLU C 68 8.852 -2.510 -2.162 1.00 0.00 C ATOM 1029 CD GLU C 68 7.848 -2.181 -1.083 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.771 -2.965 -0.108 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.139 -1.167 -1.210 1.00 0.00 O1- ATOM 0 H GLU C 68 9.081 0.263 -4.908 1.00 0.00 H new ATOM 0 HA GLU C 68 8.836 0.331 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU C 68 7.954 -1.380 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.596 -1.893 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.598 -3.480 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU C 68 9.836 -2.612 -1.703 1.00 0.00 H new ATOM 1038 N LYS C 69 11.880 0.038 -3.109 1.00 0.00 N ATOM 1039 CA LYS C 69 13.250 -0.124 -2.647 1.00 0.00 C ATOM 1040 C LYS C 69 13.751 1.114 -1.926 1.00 0.00 C ATOM 1041 O LYS C 69 14.926 1.191 -1.573 1.00 0.00 O ATOM 1042 CB LYS C 69 14.180 -0.422 -3.804 1.00 0.00 C ATOM 1043 CG LYS C 69 14.307 0.731 -4.771 1.00 0.00 C ATOM 1044 CD LYS C 69 15.330 0.417 -5.851 1.00 0.00 C ATOM 1045 CE LYS C 69 16.738 0.401 -5.277 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.772 0.205 -6.323 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.787 0.355 -4.074 1.00 0.00 H new ATOM 0 HA LYS C 69 13.247 -0.962 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.167 -0.673 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS C 69 13.816 -1.299 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.339 0.936 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.603 1.632 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.105 -0.550 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.265 1.160 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.926 1.340 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.817 -0.396 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.597 0.803 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 18.063 -0.793 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.382 0.468 -7.250 1.00 0.00 H new ATOM 1060 N SER C 70 12.883 2.089 -1.732 1.00 0.00 N ATOM 1061 CA SER C 70 13.267 3.271 -0.996 1.00 0.00 C ATOM 1062 C SER C 70 13.324 2.943 0.499 1.00 0.00 C ATOM 1063 O SER C 70 14.104 2.089 0.927 1.00 0.00 O ATOM 1064 CB SER C 70 12.290 4.415 -1.274 1.00 0.00 C ATOM 1065 OG SER C 70 12.260 4.730 -2.656 1.00 0.00 O ATOM 0 H SER C 70 11.921 2.084 -2.070 1.00 0.00 H new ATOM 0 HA SER C 70 14.256 3.596 -1.321 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.291 4.135 -0.939 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.583 5.296 -0.702 1.00 0.00 H new ATOM 0 HG SER C 70 11.626 4.139 -3.113 1.00 0.00 H new ATOM 1071 N THR C 71 12.504 3.604 1.293 1.00 0.00 N ATOM 1072 CA THR C 71 12.318 3.218 2.664 1.00 0.00 C ATOM 1073 C THR C 71 10.833 3.144 2.957 1.00 0.00 C ATOM 1074 O THR C 71 10.149 4.168 3.027 1.00 0.00 O ATOM 1075 CB THR C 71 13.006 4.198 3.626 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.890 5.536 3.124 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.471 3.836 3.816 1.00 0.00 C ATOM 0 H THR C 71 11.957 4.414 1.003 1.00 0.00 H new ATOM 0 HA THR C 71 12.776 2.241 2.818 1.00 0.00 H new ATOM 0 HB THR C 71 12.512 4.133 4.595 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.731 6.016 3.275 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.935 4.545 4.501 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.547 2.830 4.229 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.983 3.873 2.854 1.00 0.00 H new ATOM 1085 N VAL C 72 10.341 1.927 3.108 1.00 0.00 N ATOM 1086 CA VAL C 72 8.921 1.678 3.282 1.00 0.00 C ATOM 1087 C VAL C 72 8.357 2.441 4.480 1.00 0.00 C ATOM 1088 O VAL C 72 7.167 2.730 4.533 1.00 0.00 O ATOM 1089 CB VAL C 72 8.647 0.160 3.437 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.174 -0.124 3.549 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.227 -0.609 2.262 1.00 0.00 C ATOM 0 H VAL C 72 10.915 1.084 3.113 1.00 0.00 H new ATOM 0 HA VAL C 72 8.415 2.039 2.387 1.00 0.00 H new ATOM 0 HB VAL C 72 9.131 -0.167 4.357 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.018 -1.197 3.656 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.769 0.391 4.421 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.666 0.229 2.651 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.025 -1.673 2.388 1.00 0.00 H new ATOM 0 HG22 VAL C 72 8.769 -0.260 1.337 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.304 -0.447 2.217 1.00 0.00 H new ATOM 1101 N GLY C 73 9.215 2.812 5.414 1.00 0.00 N ATOM 1102 CA GLY C 73 8.747 3.505 6.601 1.00 0.00 C ATOM 1103 C GLY C 73 8.456 4.957 6.340 1.00 0.00 C ATOM 1104 O GLY C 73 7.470 5.496 6.851 1.00 0.00 O ATOM 0 H GLY C 73 10.221 2.649 5.376 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.845 3.017 6.971 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.499 3.423 7.386 1.00 0.00 H new ATOM 1108 N ASN C 74 9.292 5.597 5.537 1.00 0.00 N ATOM 1109 CA ASN C 74 9.016 6.961 5.140 1.00 0.00 C ATOM 1110 C ASN C 74 7.809 6.969 4.229 1.00 0.00 C ATOM 1111 O ASN C 74 6.927 7.814 4.350 1.00 0.00 O ATOM 1112 CB ASN C 74 10.214 7.614 4.438 1.00 0.00 C ATOM 1113 CG ASN C 74 11.363 7.901 5.386 1.00 0.00 C ATOM 1114 OD1 ASN C 74 11.337 8.880 6.131 1.00 0.00 O ATOM 1115 ND2 ASN C 74 12.401 7.085 5.329 1.00 0.00 N ATOM 0 H ASN C 74 10.151 5.200 5.156 1.00 0.00 H new ATOM 0 HA ASN C 74 8.818 7.546 6.038 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.562 6.960 3.639 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.893 8.545 3.971 1.00 0.00 H new ATOM 0 HD21 ASN C 74 13.218 7.257 5.915 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.385 6.283 4.699 1.00 0.00 H new ATOM 1122 N ILE C 75 7.751 5.983 3.346 1.00 0.00 N ATOM 1123 CA ILE C 75 6.661 5.878 2.398 1.00 0.00 C ATOM 1124 C ILE C 75 5.334 5.626 3.108 1.00 0.00 C ATOM 1125 O ILE C 75 4.434 6.466 3.068 1.00 0.00 O ATOM 1126 CB ILE C 75 6.900 4.741 1.388 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.232 4.924 0.651 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.749 4.681 0.402 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.316 6.198 -0.161 1.00 0.00 C ATOM 0 H ILE C 75 8.450 5.244 3.269 1.00 0.00 H new ATOM 0 HA ILE C 75 6.617 6.829 1.867 1.00 0.00 H new ATOM 0 HB ILE C 75 6.952 3.799 1.934 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.043 4.916 1.380 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.389 4.072 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.922 3.875 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.819 4.496 0.939 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.678 5.629 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.288 6.253 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.529 6.202 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.192 7.058 0.497 1.00 0.00 H new ATOM 1141 N SER C 76 5.242 4.480 3.777 1.00 0.00 N ATOM 1142 CA SER C 76 3.979 3.989 4.311 1.00 0.00 C ATOM 1143 C SER C 76 3.274 4.996 5.187 1.00 0.00 C ATOM 1144 O SER C 76 2.188 5.451 4.859 1.00 0.00 O ATOM 1145 CB SER C 76 4.184 2.695 5.090 1.00 0.00 C ATOM 1146 OG SER C 76 4.753 1.697 4.270 1.00 0.00 O ATOM 0 H SER C 76 6.038 3.869 3.963 1.00 0.00 H new ATOM 0 HA SER C 76 3.341 3.804 3.447 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.832 2.880 5.946 1.00 0.00 H new ATOM 0 HB3 SER C 76 3.229 2.347 5.483 1.00 0.00 H new ATOM 0 HG SER C 76 5.631 1.995 3.954 1.00 0.00 H new ATOM 1152 N ASN C 77 3.882 5.352 6.293 1.00 0.00 N ATOM 1153 CA ASN C 77 3.170 6.167 7.274 1.00 0.00 C ATOM 1154 C ASN C 77 2.926 7.602 6.805 1.00 0.00 C ATOM 1155 O ASN C 77 2.069 8.287 7.363 1.00 0.00 O ATOM 1156 CB ASN C 77 3.810 6.114 8.660 1.00 0.00 C ATOM 1157 CG ASN C 77 2.978 5.269 9.625 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.645 5.348 9.506 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.521 4.570 10.482 1.00 0.00 N flip ATOM 0 H ASN C 77 4.840 5.104 6.541 1.00 0.00 H new ATOM 0 HA ASN C 77 2.184 5.711 7.368 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.815 5.698 8.583 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.912 7.125 9.054 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.539 4.535 10.542 1.00 0.00 H new ATOM 0 HD22 ASN C 77 2.953 4.026 11.132 1.00 0.00 H new ATOM 1166 N ASP C 78 3.638 8.067 5.776 1.00 0.00 N ATOM 1167 CA ASP C 78 3.257 9.332 5.147 1.00 0.00 C ATOM 1168 C ASP C 78 2.007 9.130 4.316 1.00 0.00 C ATOM 1169 O ASP C 78 1.155 10.005 4.242 1.00 0.00 O ATOM 1170 CB ASP C 78 4.340 9.919 4.253 1.00 0.00 C ATOM 1171 CG ASP C 78 5.428 10.637 5.030 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.104 11.329 6.018 1.00 0.00 O ATOM 1173 OD2 ASP C 78 6.611 10.536 4.646 1.00 0.00 O1- ATOM 0 H ASP C 78 4.453 7.606 5.372 1.00 0.00 H new ATOM 0 HA ASP C 78 3.088 10.037 5.961 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.790 9.120 3.664 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.884 10.616 3.549 1.00 0.00 H new ATOM 1178 N ILE C 79 1.919 7.973 3.678 1.00 0.00 N ATOM 1179 CA ILE C 79 0.710 7.568 2.971 1.00 0.00 C ATOM 1180 C ILE C 79 -0.456 7.499 3.945 1.00 0.00 C ATOM 1181 O ILE C 79 -1.603 7.786 3.603 1.00 0.00 O ATOM 1182 CB ILE C 79 0.887 6.178 2.315 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.902 6.240 1.175 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.446 5.634 1.814 1.00 0.00 C ATOM 1185 CD1 ILE C 79 2.236 4.881 0.605 1.00 0.00 C ATOM 0 H ILE C 79 2.677 7.292 3.635 1.00 0.00 H new ATOM 0 HA ILE C 79 0.514 8.306 2.193 1.00 0.00 H new ATOM 0 HB ILE C 79 1.267 5.497 3.077 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.509 6.874 0.380 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.816 6.711 1.536 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.292 4.656 1.358 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.138 5.539 2.651 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -0.863 6.318 1.075 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.962 4.993 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.658 4.251 1.389 1.00 0.00 H new ATOM 0 HD13 ILE C 79 1.330 4.417 0.215 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.145 7.138 5.173 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.175 6.877 6.149 1.00 0.00 C ATOM 1199 C ASN C 80 -1.631 8.137 6.842 1.00 0.00 C ATOM 1200 O ASN C 80 -2.805 8.257 7.172 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.705 5.867 7.189 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.103 4.623 6.574 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.493 4.186 5.495 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.855 4.038 7.270 1.00 0.00 N ATOM 0 H ASN C 80 0.809 7.020 5.515 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.021 6.462 5.602 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.033 6.339 7.838 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.548 5.583 7.819 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.299 3.191 6.915 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.151 4.433 8.163 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.722 9.080 7.063 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.107 10.349 7.670 1.00 0.00 C ATOM 1213 C LYS C 81 -2.180 11.005 6.807 1.00 0.00 C ATOM 1214 O LYS C 81 -3.034 11.732 7.297 1.00 0.00 O ATOM 1215 CB LYS C 81 0.105 11.278 7.839 1.00 0.00 C ATOM 1216 CG LYS C 81 0.656 11.829 6.535 1.00 0.00 C ATOM 1217 CD LYS C 81 1.974 12.554 6.740 1.00 0.00 C ATOM 1218 CE LYS C 81 2.508 13.112 5.432 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.881 13.662 5.580 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.269 8.994 6.836 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.506 10.161 8.667 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.178 12.112 8.482 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.897 10.733 8.353 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.797 11.013 5.826 1.00 0.00 H new ATOM 0 HG3 LYS C 81 -0.070 12.512 6.094 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.837 13.365 7.455 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.705 11.869 7.171 1.00 0.00 H new ATOM 0 HE2 LYS C 81 2.512 12.326 4.677 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.841 13.895 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.123 14.224 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.923 14.268 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.559 12.880 5.681 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.152 10.678 5.523 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.129 11.170 4.563 1.00 0.00 C ATOM 1235 C LEU C 82 -4.538 10.713 4.941 1.00 0.00 C ATOM 1236 O LEU C 82 -5.512 11.390 4.624 1.00 0.00 O ATOM 1237 CB LEU C 82 -2.787 10.637 3.170 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.304 10.705 2.781 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.120 10.238 1.343 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.769 12.122 2.952 1.00 0.00 C ATOM 0 H LEU C 82 -1.448 10.062 5.116 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.099 12.260 4.567 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.114 9.599 3.107 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.363 11.198 2.434 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.740 10.045 3.441 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.065 10.290 1.076 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.469 9.210 1.247 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.695 10.880 0.676 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.284 12.150 2.671 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.333 12.803 2.314 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.875 12.428 3.993 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.614 9.592 5.665 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.884 8.918 5.985 1.00 0.00 C ATOM 1254 C ASN C 83 -6.845 8.921 4.801 1.00 0.00 C ATOM 1255 O ASN C 83 -7.646 9.842 4.613 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.518 9.512 7.241 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.203 8.675 8.474 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.971 8.656 9.432 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.074 7.960 8.449 1.00 0.00 N ATOM 0 H ASN C 83 -3.795 9.121 6.049 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.658 7.873 6.196 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.154 10.529 7.388 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.598 9.576 7.109 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.825 7.372 9.244 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.462 8.002 7.634 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.753 7.859 4.016 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.413 7.778 2.725 1.00 0.00 C ATOM 1268 C ILE C 84 -8.920 7.637 2.820 1.00 0.00 C ATOM 1269 O ILE C 84 -9.453 6.631 3.282 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.832 6.629 1.891 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.371 6.931 1.593 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.616 6.432 0.597 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.166 8.258 0.891 1.00 0.00 C ATOM 0 H ILE C 84 -6.216 7.026 4.259 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.219 8.730 2.231 1.00 0.00 H new ATOM 0 HB ILE C 84 -6.909 5.701 2.458 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -4.809 6.931 2.527 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -4.961 6.133 0.974 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.179 5.611 0.029 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.654 6.199 0.833 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.575 7.346 0.004 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.103 8.412 0.708 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.701 8.254 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.547 9.064 1.518 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.576 8.673 2.352 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.012 8.715 2.224 1.00 0.00 C ATOM 1287 C LYS C 85 -11.402 8.268 0.818 1.00 0.00 C ATOM 1288 O LYS C 85 -10.986 8.870 -0.174 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.502 10.141 2.492 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.728 11.211 1.690 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.503 11.709 2.452 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.233 11.638 1.603 1.00 0.00 C ATOM 1293 NZ LYS C 85 -8.399 12.319 0.292 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.115 9.529 2.043 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.475 8.044 2.948 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.562 10.207 2.245 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.409 10.356 3.556 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.416 10.794 0.732 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.388 12.051 1.472 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.668 12.738 2.772 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.370 11.112 3.354 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -7.407 12.096 2.147 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -7.966 10.594 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -7.479 12.683 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.766 11.642 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.068 13.109 0.393 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.171 7.204 0.732 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.541 6.673 -0.557 1.00 0.00 C ATOM 1309 C GLY C 86 -13.333 5.391 -0.426 1.00 0.00 C ATOM 1310 O GLY C 86 -13.111 4.627 0.510 1.00 0.00 O ATOM 0 H GLY C 86 -12.548 6.696 1.532 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.131 7.412 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.643 6.488 -1.146 1.00 0.00 H new ATOM 1314 N PRO C 87 -14.266 5.118 -1.348 1.00 0.00 N ATOM 1315 CA PRO C 87 -15.102 3.921 -1.282 1.00 0.00 C ATOM 1316 C PRO C 87 -14.372 2.690 -1.808 1.00 0.00 C ATOM 1317 O PRO C 87 -14.524 1.590 -1.273 1.00 0.00 O ATOM 1318 CB PRO C 87 -16.272 4.282 -2.191 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.653 5.145 -3.228 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.607 5.961 -2.512 1.00 0.00 C ATOM 0 HA PRO C 87 -15.395 3.665 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.729 3.394 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -17.056 4.809 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -15.206 4.545 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -16.398 5.788 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.738 6.147 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.993 6.933 -2.207 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.576 2.881 -2.853 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.763 1.810 -3.391 1.00 0.00 C ATOM 1330 C TYR C 88 -11.296 2.197 -3.269 1.00 0.00 C ATOM 1331 O TYR C 88 -10.778 2.954 -4.091 1.00 0.00 O ATOM 1332 CB TYR C 88 -13.102 1.530 -4.860 1.00 0.00 C ATOM 1333 CG TYR C 88 -14.574 1.637 -5.193 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -15.073 2.764 -5.832 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -15.462 0.621 -4.867 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -16.414 2.878 -6.136 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -16.806 0.728 -5.172 1.00 0.00 C ATOM 1338 CZ TYR C 88 -17.276 1.857 -5.805 1.00 0.00 C ATOM 1339 OH TYR C 88 -18.616 1.971 -6.104 1.00 0.00 O ATOM 0 H TYR C 88 -13.480 3.771 -3.342 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.966 0.902 -2.824 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.548 2.228 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.756 0.528 -5.116 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.399 3.566 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.098 -0.265 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.785 3.763 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -17.485 -0.071 -4.915 1.00 0.00 H new ATOM 0 HH TYR C 88 -19.087 1.165 -5.806 1.00 0.00 H new ATOM 1349 N ILE C 89 -10.639 1.690 -2.242 1.00 0.00 N ATOM 1350 CA ILE C 89 -9.257 2.055 -1.970 1.00 0.00 C ATOM 1351 C ILE C 89 -8.312 0.983 -2.482 1.00 0.00 C ATOM 1352 O ILE C 89 -8.454 -0.193 -2.151 1.00 0.00 O ATOM 1353 CB ILE C 89 -9.023 2.269 -0.462 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -10.013 3.305 0.071 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -7.589 2.711 -0.199 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -10.015 3.435 1.579 1.00 0.00 C ATOM 0 H ILE C 89 -11.039 1.024 -1.581 1.00 0.00 H new ATOM 0 HA ILE C 89 -9.056 2.992 -2.490 1.00 0.00 H new ATOM 0 HB ILE C 89 -9.185 1.325 0.059 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -9.779 4.275 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -11.016 3.039 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -7.444 2.857 0.871 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -6.901 1.946 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -7.395 3.647 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -10.743 4.189 1.878 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -10.280 2.477 2.026 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -9.023 3.733 1.920 1.00 0.00 H new ATOM 1368 N GLU C 90 -7.359 1.394 -3.301 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.406 0.469 -3.880 1.00 0.00 C ATOM 1370 C GLU C 90 -4.986 0.872 -3.537 1.00 0.00 C ATOM 1371 O GLU C 90 -4.561 1.991 -3.827 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.547 0.439 -5.391 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.927 0.044 -5.874 1.00 0.00 C ATOM 1374 CD GLU C 90 -8.026 0.079 -7.383 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -8.499 1.095 -7.931 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.616 -0.903 -8.030 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.226 2.366 -3.579 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.614 -0.518 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -6.303 1.424 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.817 -0.259 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.164 -0.959 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -8.669 0.718 -5.445 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.260 -0.040 -2.929 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.853 0.160 -2.678 1.00 0.00 C ATOM 1385 C ILE C 91 -2.093 -1.078 -3.187 1.00 0.00 C ATOM 1386 O ILE C 91 -2.068 -2.134 -2.554 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.602 0.478 -1.166 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.179 0.987 -0.933 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.877 -0.730 -0.282 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -0.950 1.570 0.445 1.00 0.00 C ATOM 0 H ILE C 91 -4.626 -0.933 -2.598 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.477 1.028 -3.219 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.302 1.266 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.480 0.165 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.949 1.747 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.691 -0.468 0.760 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.916 -1.038 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -2.221 -1.550 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE C 91 0.083 1.908 0.530 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.622 2.414 0.599 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.146 0.808 1.200 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.512 -0.958 -4.383 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.898 -2.097 -5.059 1.00 0.00 C ATOM 1404 C LYS C 92 0.146 -1.621 -6.063 1.00 0.00 C ATOM 1405 O LYS C 92 0.041 -0.524 -6.600 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.996 -2.889 -5.777 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.877 -2.012 -6.658 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.334 -1.878 -8.072 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.546 -3.143 -8.889 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.982 -3.378 -9.200 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.455 -0.081 -4.902 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.399 -2.732 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.537 -3.665 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.617 -3.393 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.882 -2.433 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.963 -1.022 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.822 -1.040 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -1.269 -1.648 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.982 -3.072 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.150 -3.998 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -4.062 -4.089 -9.955 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -4.470 -3.722 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.419 -2.488 -9.514 1.00 0.00 H new ATOM 1424 N GLN C 93 1.152 -2.431 -6.323 1.00 0.00 N ATOM 1425 CA GLN C 93 2.136 -2.061 -7.320 1.00 0.00 C ATOM 1426 C GLN C 93 1.657 -2.479 -8.702 1.00 0.00 C ATOM 1427 O GLN C 93 0.748 -3.299 -8.835 1.00 0.00 O ATOM 1428 CB GLN C 93 3.522 -2.624 -6.988 1.00 0.00 C ATOM 1429 CG GLN C 93 3.581 -4.136 -6.844 1.00 0.00 C ATOM 1430 CD GLN C 93 3.692 -4.846 -8.180 1.00 0.00 C ATOM 1431 OE1 GLN C 93 3.181 -5.951 -8.352 1.00 0.00 O ATOM 1432 NE2 GLN C 93 4.386 -4.229 -9.126 1.00 0.00 N ATOM 0 H GLN C 93 1.309 -3.331 -5.869 1.00 0.00 H new ATOM 0 HA GLN C 93 2.244 -0.976 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.218 -2.321 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN C 93 3.869 -2.171 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN C 93 4.435 -4.405 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN C 93 2.687 -4.483 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN C 93 4.794 -3.312 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN C 93 4.512 -4.671 -10.037 1.00 0.00 H new ATOM 1441 N ILE C 94 2.283 -1.921 -9.716 1.00 0.00 N ATOM 1442 CA ILE C 94 1.739 -1.947 -11.060 1.00 0.00 C ATOM 1443 C ILE C 94 2.666 -2.645 -12.046 1.00 0.00 C ATOM 1444 O ILE C 94 3.089 -3.780 -11.761 1.00 0.00 O ATOM 1445 CB ILE C 94 1.477 -0.501 -11.514 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.629 0.402 -11.038 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.143 -0.019 -10.978 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.258 1.852 -10.848 1.00 0.00 C ATOM 1449 OXT ILE C 94 2.943 -2.069 -13.117 1.00 0.00 O ATOM 0 H ILE C 94 3.178 -1.439 -9.635 1.00 0.00 H new ATOM 0 HA ILE C 94 0.810 -2.517 -11.042 1.00 0.00 H new ATOM 0 HB ILE C 94 1.433 -0.461 -12.602 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.011 0.013 -10.094 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.442 0.341 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE C 94 -0.032 1.006 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.654 -0.661 -11.354 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.154 -0.055 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.132 2.410 -10.512 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.906 2.264 -11.793 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.468 1.931 -10.101 1.00 0.00 H new