USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 630 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 25 HIS : no HE2:sc= -0.305 K(o=-0.31,f=-7.3!) USER MOD Set 1.2: A 63 HIS :FLIP no HD1:sc=-0.00631 F(o=-0.96,f=-0.31) USER MOD Set 2.1: A 47 TYR OH : rot 0:sc= -0.698 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= -0.142 (180deg=-0.87) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 36 GLN :FLIP amide:sc= 0.797 F(o=-0.29,f=0.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.219 USER MOD Single : A 42 GLN : amide:sc= -0.0958 K(o=-0.096,f=-0.63) USER MOD Single : A 49 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.029) USER MOD Single : A 50 SER OG : rot -34:sc= 0.812 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.133 (180deg=-0.702) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0283 (180deg=-0.543) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= -2.39 (180deg=-2.5!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.99 K(o=-2,f=-10!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= -1.01 (180deg=-3.23!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0576 (180deg=-0.646) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0887 (180deg=-0.593) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -7.243 -1.411 14.237 1.00 1.00 N ATOM 110 CA ASP A 7 -6.758 -0.065 13.932 1.00 1.00 C ATOM 111 C ASP A 7 -5.780 -0.114 12.761 1.00 1.00 C ATOM 112 O ASP A 7 -4.565 -0.089 12.949 1.00 1.00 O ATOM 113 CB ASP A 7 -6.069 0.535 15.170 1.00 1.00 C ATOM 114 CG ASP A 7 -4.921 -0.364 15.642 1.00 1.00 C ATOM 115 OD1 ASP A 7 -4.872 -1.508 15.220 1.00 1.00 O ATOM 116 OD2 ASP A 7 -4.109 0.110 16.420 1.00 1.00 O ATOM 0 HA ASP A 7 -7.605 0.564 13.657 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.686 1.528 14.933 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -6.796 0.657 15.973 1.00 1.00 H new ATOM 121 N GLY A 8 -6.316 -0.189 11.547 1.00 1.00 N ATOM 122 CA GLY A 8 -5.488 -0.245 10.337 1.00 1.00 C ATOM 123 C GLY A 8 -6.243 -0.950 9.229 1.00 1.00 C ATOM 124 O GLY A 8 -7.408 -1.308 9.402 1.00 1.00 O ATOM 0 H GLY A 8 -7.320 -0.213 11.370 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -5.220 0.763 10.022 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -4.557 -0.771 10.547 1.00 1.00 H new ATOM 128 N VAL A 9 -5.570 -1.159 8.090 1.00 1.00 N ATOM 129 CA VAL A 9 -6.181 -1.838 6.932 1.00 1.00 C ATOM 130 C VAL A 9 -5.508 -3.198 6.734 1.00 1.00 C ATOM 131 O VAL A 9 -4.292 -3.291 6.643 1.00 1.00 O ATOM 132 CB VAL A 9 -6.014 -0.970 5.666 1.00 1.00 C ATOM 133 CG1 VAL A 9 -6.764 -1.613 4.486 1.00 1.00 C ATOM 134 CG2 VAL A 9 -6.582 0.433 5.930 1.00 1.00 C ATOM 0 H VAL A 9 -4.603 -0.869 7.942 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.246 -1.986 7.114 1.00 1.00 H new ATOM 0 HB VAL A 9 -4.955 -0.897 5.419 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -6.641 -0.995 3.597 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -6.359 -2.607 4.296 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.824 -1.693 4.729 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -6.465 1.047 5.037 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.640 0.356 6.181 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -6.045 0.893 6.760 1.00 1.00 H new ATOM 144 N TYR A 10 -6.325 -4.248 6.661 1.00 1.00 N ATOM 145 CA TYR A 10 -5.838 -5.619 6.496 1.00 1.00 C ATOM 146 C TYR A 10 -5.658 -5.922 5.020 1.00 1.00 C ATOM 147 O TYR A 10 -6.449 -5.480 4.186 1.00 1.00 O ATOM 148 CB TYR A 10 -6.886 -6.604 7.080 1.00 1.00 C ATOM 149 CG TYR A 10 -6.837 -6.624 8.613 1.00 1.00 C ATOM 150 CD1 TYR A 10 -7.162 -5.471 9.337 1.00 1.00 C ATOM 151 CD2 TYR A 10 -6.472 -7.793 9.293 1.00 1.00 C ATOM 152 CE1 TYR A 10 -7.122 -5.486 10.737 1.00 1.00 C ATOM 153 CE2 TYR A 10 -6.431 -7.808 10.692 1.00 1.00 C ATOM 154 CZ TYR A 10 -6.757 -6.655 11.415 1.00 1.00 C ATOM 155 OH TYR A 10 -6.717 -6.664 12.793 1.00 1.00 O ATOM 0 H TYR A 10 -7.341 -4.174 6.714 1.00 1.00 H new ATOM 0 HA TYR A 10 -4.885 -5.728 7.014 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.884 -6.315 6.749 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.700 -7.607 6.695 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -7.444 -4.568 8.815 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -6.222 -8.684 8.737 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.373 -4.595 11.294 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -6.148 -8.710 11.214 1.00 1.00 H new ATOM 0 HH TYR A 10 -6.446 -7.552 13.107 1.00 1.00 H new ATOM 165 N VAL A 11 -4.607 -6.695 4.716 1.00 1.00 N ATOM 166 CA VAL A 11 -4.295 -7.095 3.339 1.00 1.00 C ATOM 167 C VAL A 11 -4.613 -8.566 3.163 1.00 1.00 C ATOM 168 O VAL A 11 -4.247 -9.399 3.995 1.00 1.00 O ATOM 169 CB VAL A 11 -2.813 -6.837 3.019 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.538 -7.141 1.528 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.486 -5.367 3.319 1.00 1.00 C ATOM 0 H VAL A 11 -3.955 -7.058 5.411 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.900 -6.502 2.653 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.187 -7.485 3.632 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.487 -6.956 1.307 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.775 -8.184 1.320 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.158 -6.497 0.905 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.437 -5.175 3.095 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -3.113 -4.722 2.703 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.676 -5.160 4.372 1.00 1.00 H new ATOM 181 N LEU A 12 -5.307 -8.882 2.074 1.00 1.00 N ATOM 182 CA LEU A 12 -5.690 -10.258 1.785 1.00 1.00 C ATOM 183 C LEU A 12 -4.553 -11.043 1.136 1.00 1.00 C ATOM 184 O LEU A 12 -4.275 -12.183 1.499 1.00 1.00 O ATOM 185 CB LEU A 12 -6.956 -10.266 0.876 1.00 1.00 C ATOM 186 CG LEU A 12 -7.869 -11.490 1.198 1.00 1.00 C ATOM 187 CD1 LEU A 12 -7.082 -12.816 0.994 1.00 1.00 C ATOM 188 CD2 LEU A 12 -8.438 -11.406 2.669 1.00 1.00 C ATOM 0 H LEU A 12 -5.615 -8.203 1.378 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.918 -10.753 2.729 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.517 -9.342 1.019 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.656 -10.298 -0.171 1.00 1.00 H new ATOM 0 HG LEU A 12 -8.715 -11.473 0.511 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.730 -13.662 1.222 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -6.746 -12.884 -0.041 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -6.218 -12.832 1.658 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.070 -12.272 2.865 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.611 -11.393 3.379 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -9.026 -10.495 2.780 1.00 1.00 H new ATOM 200 N SER A 13 -3.894 -10.422 0.175 1.00 1.00 N ATOM 201 CA SER A 13 -2.799 -11.087 -0.525 1.00 1.00 C ATOM 202 C SER A 13 -1.986 -10.097 -1.317 1.00 1.00 C ATOM 203 O SER A 13 -2.431 -8.983 -1.592 1.00 1.00 O ATOM 204 CB SER A 13 -3.366 -12.158 -1.465 1.00 1.00 C ATOM 205 OG SER A 13 -4.147 -11.532 -2.474 1.00 1.00 O ATOM 0 H SER A 13 -4.090 -9.472 -0.139 1.00 1.00 H new ATOM 0 HA SER A 13 -2.148 -11.552 0.215 1.00 1.00 H new ATOM 0 HB2 SER A 13 -2.554 -12.727 -1.918 1.00 1.00 H new ATOM 0 HB3 SER A 13 -3.976 -12.865 -0.903 1.00 1.00 H new ATOM 0 HG SER A 13 -4.509 -12.214 -3.077 1.00 1.00 H new ATOM 211 N VAL A 14 -0.781 -10.530 -1.680 1.00 1.00 N ATOM 212 CA VAL A 14 0.163 -9.721 -2.453 1.00 1.00 C ATOM 213 C VAL A 14 0.480 -10.447 -3.750 1.00 1.00 C ATOM 214 O VAL A 14 0.674 -11.659 -3.749 1.00 1.00 O ATOM 215 CB VAL A 14 1.473 -9.510 -1.657 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.417 -8.555 -2.426 1.00 1.00 C ATOM 217 CG2 VAL A 14 1.150 -8.917 -0.279 1.00 1.00 C ATOM 0 H VAL A 14 -0.428 -11.458 -1.445 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.284 -8.748 -2.659 1.00 1.00 H new ATOM 0 HB VAL A 14 1.969 -10.472 -1.531 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.335 -8.414 -1.856 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.656 -8.985 -3.399 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.926 -7.592 -2.566 1.00 1.00 H new ATOM 0 HG21 VAL A 14 2.074 -8.769 0.279 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.645 -7.959 -0.404 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.501 -9.601 0.268 1.00 1.00 H new ATOM 227 N LYS A 15 0.524 -9.693 -4.841 1.00 1.00 N ATOM 228 CA LYS A 15 0.837 -10.253 -6.162 1.00 1.00 C ATOM 229 C LYS A 15 2.168 -11.016 -6.115 1.00 1.00 C ATOM 230 O LYS A 15 2.293 -12.022 -5.420 1.00 1.00 O ATOM 231 CB LYS A 15 0.909 -9.108 -7.186 1.00 1.00 C ATOM 232 CG LYS A 15 -0.451 -8.338 -7.261 1.00 1.00 C ATOM 233 CD LYS A 15 -1.434 -9.040 -8.265 1.00 1.00 C ATOM 234 CE LYS A 15 -1.232 -8.477 -9.680 1.00 1.00 C ATOM 235 NZ LYS A 15 -1.662 -7.056 -9.676 1.00 1.00 N ATOM 0 H LYS A 15 0.347 -8.688 -4.843 1.00 1.00 H new ATOM 0 HA LYS A 15 0.056 -10.954 -6.457 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.707 -8.418 -6.911 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.159 -9.509 -8.168 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.905 -8.295 -6.271 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.275 -7.310 -7.576 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.260 -10.116 -8.265 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -2.465 -8.884 -7.947 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -0.186 -8.557 -9.976 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -1.813 -9.049 -10.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -2.036 -6.804 -10.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.403 -6.920 -8.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -0.849 -6.448 -9.453 1.00 1.00 H new ATOM 249 N GLU A 16 3.166 -10.553 -6.862 1.00 1.00 N ATOM 250 CA GLU A 16 4.465 -11.227 -6.866 1.00 1.00 C ATOM 251 C GLU A 16 5.560 -10.323 -7.419 1.00 1.00 C ATOM 252 O GLU A 16 6.446 -9.895 -6.691 1.00 1.00 O ATOM 253 CB GLU A 16 4.378 -12.520 -7.701 1.00 1.00 C ATOM 254 CG GLU A 16 5.686 -13.327 -7.581 1.00 1.00 C ATOM 255 CD GLU A 16 5.586 -14.649 -8.340 1.00 1.00 C ATOM 256 OE1 GLU A 16 4.687 -14.797 -9.152 1.00 1.00 O ATOM 257 OE2 GLU A 16 6.417 -15.509 -8.097 1.00 1.00 O ATOM 0 H GLU A 16 3.106 -9.730 -7.462 1.00 1.00 H new ATOM 0 HA GLU A 16 4.723 -11.473 -5.836 1.00 1.00 H new ATOM 0 HB2 GLU A 16 3.538 -13.125 -7.360 1.00 1.00 H new ATOM 0 HB3 GLU A 16 4.190 -12.274 -8.746 1.00 1.00 H new ATOM 0 HG2 GLU A 16 6.517 -12.740 -7.973 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.902 -13.522 -6.531 1.00 1.00 H new ATOM 264 N ASP A 17 5.509 -10.064 -8.720 1.00 1.00 N ATOM 265 CA ASP A 17 6.525 -9.236 -9.385 1.00 1.00 C ATOM 266 C ASP A 17 6.118 -7.772 -9.364 1.00 1.00 C ATOM 267 O ASP A 17 6.108 -7.107 -10.403 1.00 1.00 O ATOM 268 CB ASP A 17 6.717 -9.714 -10.835 1.00 1.00 C ATOM 269 CG ASP A 17 5.414 -9.602 -11.628 1.00 1.00 C ATOM 270 OD1 ASP A 17 4.358 -9.616 -11.015 1.00 1.00 O ATOM 271 OD2 ASP A 17 5.498 -9.510 -12.840 1.00 1.00 O ATOM 0 H ASP A 17 4.778 -10.412 -9.341 1.00 1.00 H new ATOM 0 HA ASP A 17 7.468 -9.337 -8.847 1.00 1.00 H new ATOM 0 HB2 ASP A 17 7.493 -9.119 -11.318 1.00 1.00 H new ATOM 0 HB3 ASP A 17 7.060 -10.748 -10.838 1.00 1.00 H new ATOM 276 N VAL A 18 5.783 -7.276 -8.165 1.00 1.00 N ATOM 277 CA VAL A 18 5.368 -5.877 -7.977 1.00 1.00 C ATOM 278 C VAL A 18 6.248 -5.202 -6.912 1.00 1.00 C ATOM 279 O VAL A 18 6.812 -5.891 -6.059 1.00 1.00 O ATOM 280 CB VAL A 18 3.883 -5.838 -7.539 1.00 1.00 C ATOM 281 CG1 VAL A 18 3.007 -6.427 -8.654 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.687 -6.637 -6.238 1.00 1.00 C ATOM 0 H VAL A 18 5.791 -7.826 -7.306 1.00 1.00 H new ATOM 0 HA VAL A 18 5.484 -5.337 -8.917 1.00 1.00 H new ATOM 0 HB VAL A 18 3.592 -4.804 -7.356 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.961 -6.400 -8.348 1.00 1.00 H new ATOM 0 HG12 VAL A 18 3.133 -5.841 -9.564 1.00 1.00 H new ATOM 0 HG13 VAL A 18 3.304 -7.459 -8.843 1.00 1.00 H new ATOM 0 HG21 VAL A 18 2.638 -6.600 -5.943 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.982 -7.674 -6.400 1.00 1.00 H new ATOM 0 HG23 VAL A 18 4.301 -6.204 -5.449 1.00 1.00 H new ATOM 292 N PRO A 19 6.366 -3.885 -6.919 1.00 1.00 N ATOM 293 CA PRO A 19 7.186 -3.161 -5.894 1.00 1.00 C ATOM 294 C PRO A 19 6.694 -3.433 -4.465 1.00 1.00 C ATOM 295 O PRO A 19 7.379 -3.116 -3.501 1.00 1.00 O ATOM 296 CB PRO A 19 7.041 -1.661 -6.296 1.00 1.00 C ATOM 297 CG PRO A 19 5.801 -1.605 -7.142 1.00 1.00 C ATOM 298 CD PRO A 19 5.775 -2.931 -7.896 1.00 1.00 C ATOM 0 HA PRO A 19 8.226 -3.488 -5.882 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.948 -1.024 -5.417 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.913 -1.315 -6.850 1.00 1.00 H new ATOM 0 HG2 PRO A 19 4.909 -1.483 -6.527 1.00 1.00 H new ATOM 0 HG3 PRO A 19 5.831 -0.760 -7.830 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.761 -3.216 -8.175 1.00 1.00 H new ATOM 0 HD3 PRO A 19 6.358 -2.883 -8.816 1.00 1.00 H new ATOM 306 N ALA A 20 5.503 -4.012 -4.339 1.00 1.00 N ATOM 307 CA ALA A 20 4.924 -4.309 -3.020 1.00 1.00 C ATOM 308 C ALA A 20 5.495 -5.616 -2.470 1.00 1.00 C ATOM 309 O ALA A 20 5.566 -5.818 -1.257 1.00 1.00 O ATOM 310 CB ALA A 20 3.390 -4.410 -3.162 1.00 1.00 C ATOM 0 H ALA A 20 4.917 -4.286 -5.128 1.00 1.00 H new ATOM 0 HA ALA A 20 5.175 -3.511 -2.321 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.948 -4.630 -2.190 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.996 -3.464 -3.534 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.141 -5.207 -3.863 1.00 1.00 H new ATOM 316 N ALA A 21 5.896 -6.500 -3.382 1.00 1.00 N ATOM 317 CA ALA A 21 6.456 -7.790 -3.012 1.00 1.00 C ATOM 318 C ALA A 21 7.854 -7.608 -2.430 1.00 1.00 C ATOM 319 O ALA A 21 8.699 -6.931 -3.016 1.00 1.00 O ATOM 320 CB ALA A 21 6.527 -8.687 -4.256 1.00 1.00 C ATOM 0 H ALA A 21 5.841 -6.341 -4.388 1.00 1.00 H new ATOM 0 HA ALA A 21 5.819 -8.255 -2.259 1.00 1.00 H new ATOM 0 HB1 ALA A 21 6.946 -9.655 -3.983 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.525 -8.827 -4.661 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.160 -8.216 -5.008 1.00 1.00 H new ATOM 326 N GLY A 22 8.089 -8.223 -1.273 1.00 1.00 N ATOM 327 CA GLY A 22 9.387 -8.150 -0.583 1.00 1.00 C ATOM 328 C GLY A 22 9.364 -7.107 0.522 1.00 1.00 C ATOM 329 O GLY A 22 10.249 -7.089 1.375 1.00 1.00 O ATOM 0 H GLY A 22 7.392 -8.785 -0.784 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.633 -9.125 -0.162 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.170 -7.906 -1.301 1.00 1.00 H new ATOM 333 N ILE A 23 8.346 -6.230 0.501 1.00 1.00 N ATOM 334 CA ILE A 23 8.205 -5.166 1.515 1.00 1.00 C ATOM 335 C ILE A 23 6.942 -5.385 2.347 1.00 1.00 C ATOM 336 O ILE A 23 6.998 -5.393 3.574 1.00 1.00 O ATOM 337 CB ILE A 23 8.142 -3.798 0.801 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.416 -3.618 -0.074 1.00 1.00 C ATOM 339 CG2 ILE A 23 8.065 -2.652 1.838 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.325 -2.334 -0.912 1.00 1.00 C ATOM 0 H ILE A 23 7.609 -6.235 -0.204 1.00 1.00 H new ATOM 0 HA ILE A 23 9.063 -5.190 2.187 1.00 1.00 H new ATOM 0 HB ILE A 23 7.251 -3.766 0.174 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.299 -3.579 0.564 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.536 -4.479 -0.732 1.00 1.00 H new ATOM 0 HG21 ILE A 23 8.021 -1.694 1.319 1.00 1.00 H new ATOM 0 HG22 ILE A 23 7.171 -2.774 2.450 1.00 1.00 H new ATOM 0 HG23 ILE A 23 8.948 -2.679 2.476 1.00 1.00 H new ATOM 0 HD11 ILE A 23 10.226 -2.229 -1.516 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.455 -2.387 -1.566 1.00 1.00 H new ATOM 0 HD13 ILE A 23 9.229 -1.473 -0.250 1.00 1.00 H new ATOM 352 N LEU A 24 5.800 -5.553 1.669 1.00 1.00 N ATOM 353 CA LEU A 24 4.506 -5.757 2.342 1.00 1.00 C ATOM 354 C LEU A 24 4.131 -7.224 2.300 1.00 1.00 C ATOM 355 O LEU A 24 4.497 -7.941 1.369 1.00 1.00 O ATOM 356 CB LEU A 24 3.425 -4.927 1.623 1.00 1.00 C ATOM 357 CG LEU A 24 3.650 -3.385 1.852 1.00 1.00 C ATOM 358 CD1 LEU A 24 3.087 -2.588 0.663 1.00 1.00 C ATOM 359 CD2 LEU A 24 2.954 -2.928 3.163 1.00 1.00 C ATOM 0 H LEU A 24 5.743 -5.552 0.651 1.00 1.00 H new ATOM 0 HA LEU A 24 4.583 -5.439 3.382 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.444 -5.146 0.555 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.439 -5.212 1.990 1.00 1.00 H new ATOM 0 HG LEU A 24 4.721 -3.199 1.935 1.00 1.00 H new ATOM 0 HD11 LEU A 24 3.247 -1.523 0.830 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.595 -2.892 -0.252 1.00 1.00 H new ATOM 0 HD13 LEU A 24 2.019 -2.784 0.567 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.118 -1.860 3.309 1.00 1.00 H new ATOM 0 HD22 LEU A 24 1.884 -3.125 3.095 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.371 -3.477 4.007 1.00 1.00 H new ATOM 371 N HIS A 25 3.397 -7.668 3.323 1.00 1.00 N ATOM 372 CA HIS A 25 2.963 -9.063 3.421 1.00 1.00 C ATOM 373 C HIS A 25 1.542 -9.141 3.965 1.00 1.00 C ATOM 374 O HIS A 25 1.071 -8.240 4.662 1.00 1.00 O ATOM 375 CB HIS A 25 3.930 -9.825 4.340 1.00 1.00 C ATOM 376 CG HIS A 25 4.005 -9.149 5.683 1.00 1.00 C ATOM 377 ND1 HIS A 25 4.699 -7.970 5.888 1.00 1.00 N ATOM 378 CD2 HIS A 25 3.484 -9.495 6.909 1.00 1.00 C ATOM 379 CE1 HIS A 25 4.579 -7.652 7.188 1.00 1.00 C ATOM 380 NE2 HIS A 25 3.851 -8.545 7.861 1.00 1.00 N ATOM 0 H HIS A 25 3.090 -7.079 4.097 1.00 1.00 H new ATOM 0 HA HIS A 25 2.971 -9.516 2.429 1.00 1.00 H new ATOM 0 HB2 HIS A 25 3.594 -10.855 4.460 1.00 1.00 H new ATOM 0 HB3 HIS A 25 4.921 -9.863 3.887 1.00 1.00 H new ATOM 0 HD1 HIS A 25 5.209 -7.439 5.182 1.00 1.00 H new ATOM 0 HD2 HIS A 25 2.882 -10.370 7.104 1.00 1.00 H new ATOM 0 HE1 HIS A 25 5.021 -6.775 7.637 1.00 1.00 H new ATOM 389 N ALA A 26 0.865 -10.233 3.624 1.00 1.00 N ATOM 390 CA ALA A 26 -0.509 -10.451 4.060 1.00 1.00 C ATOM 391 C ALA A 26 -0.603 -10.408 5.585 1.00 1.00 C ATOM 392 O ALA A 26 0.217 -11.012 6.278 1.00 1.00 O ATOM 393 CB ALA A 26 -0.999 -11.814 3.552 1.00 1.00 C ATOM 0 H ALA A 26 1.247 -10.982 3.046 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.135 -9.659 3.650 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.026 -11.976 3.878 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.957 -11.833 2.463 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.362 -12.602 3.953 1.00 1.00 H new ATOM 399 N GLY A 27 -1.608 -9.692 6.099 1.00 1.00 N ATOM 400 CA GLY A 27 -1.817 -9.562 7.549 1.00 1.00 C ATOM 401 C GLY A 27 -1.215 -8.264 8.079 1.00 1.00 C ATOM 402 O GLY A 27 -1.357 -7.953 9.261 1.00 1.00 O ATOM 0 H GLY A 27 -2.293 -9.191 5.532 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.884 -9.587 7.769 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.366 -10.411 8.062 1.00 1.00 H new ATOM 406 N ASP A 28 -0.536 -7.502 7.210 1.00 1.00 N ATOM 407 CA ASP A 28 0.080 -6.232 7.623 1.00 1.00 C ATOM 408 C ASP A 28 -0.980 -5.139 7.725 1.00 1.00 C ATOM 409 O ASP A 28 -1.767 -4.946 6.795 1.00 1.00 O ATOM 410 CB ASP A 28 1.156 -5.817 6.604 1.00 1.00 C ATOM 411 CG ASP A 28 1.882 -4.542 7.059 1.00 1.00 C ATOM 412 OD1 ASP A 28 1.465 -3.967 8.051 1.00 1.00 O ATOM 413 OD2 ASP A 28 2.848 -4.174 6.411 1.00 1.00 O ATOM 0 H ASP A 28 -0.400 -7.739 6.227 1.00 1.00 H new ATOM 0 HA ASP A 28 0.542 -6.369 8.601 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.876 -6.626 6.481 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.695 -5.650 5.631 1.00 1.00 H new ATOM 418 N LEU A 29 -0.996 -4.416 8.858 1.00 1.00 N ATOM 419 CA LEU A 29 -1.966 -3.332 9.076 1.00 1.00 C ATOM 420 C LEU A 29 -1.300 -1.989 8.797 1.00 1.00 C ATOM 421 O LEU A 29 -0.321 -1.634 9.452 1.00 1.00 O ATOM 422 CB LEU A 29 -2.464 -3.366 10.549 1.00 1.00 C ATOM 423 CG LEU A 29 -2.745 -4.812 10.998 1.00 1.00 C ATOM 424 CD1 LEU A 29 -3.283 -4.800 12.441 1.00 1.00 C ATOM 425 CD2 LEU A 29 -3.766 -5.493 10.054 1.00 1.00 C ATOM 0 H LEU A 29 -0.350 -4.563 9.634 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.813 -3.465 8.403 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.715 -2.917 11.201 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.370 -2.768 10.645 1.00 1.00 H new ATOM 0 HG LEU A 29 -1.817 -5.382 10.958 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -3.483 -5.822 12.763 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -2.542 -4.350 13.102 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -4.205 -4.220 12.481 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -3.949 -6.513 10.391 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.702 -4.934 10.066 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -3.367 -5.512 9.040 1.00 1.00 H new ATOM 437 N ILE A 30 -1.837 -1.237 7.830 1.00 1.00 N ATOM 438 CA ILE A 30 -1.290 0.076 7.476 1.00 1.00 C ATOM 439 C ILE A 30 -2.014 1.147 8.280 1.00 1.00 C ATOM 440 O ILE A 30 -3.234 1.096 8.431 1.00 1.00 O ATOM 441 CB ILE A 30 -1.463 0.333 5.968 1.00 1.00 C ATOM 442 CG1 ILE A 30 -0.767 -0.808 5.177 1.00 1.00 C ATOM 443 CG2 ILE A 30 -0.812 1.692 5.598 1.00 1.00 C ATOM 444 CD1 ILE A 30 -1.067 -0.689 3.683 1.00 1.00 C ATOM 0 H ILE A 30 -2.649 -1.515 7.279 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.225 0.104 7.708 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.523 0.361 5.717 1.00 1.00 H new ATOM 0 HG12 ILE A 30 0.310 -0.767 5.341 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.109 -1.775 5.546 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -0.934 1.875 4.530 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.294 2.492 6.161 1.00 1.00 H new ATOM 0 HG23 ILE A 30 0.250 1.665 5.843 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.570 -1.498 3.147 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -2.143 -0.754 3.522 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -0.702 0.269 3.314 1.00 1.00 H new ATOM 456 N THR A 31 -1.248 2.116 8.795 1.00 1.00 N ATOM 457 CA THR A 31 -1.804 3.219 9.595 1.00 1.00 C ATOM 458 C THR A 31 -1.905 4.498 8.775 1.00 1.00 C ATOM 459 O THR A 31 -2.906 5.207 8.848 1.00 1.00 O ATOM 460 CB THR A 31 -0.906 3.481 10.810 1.00 1.00 C ATOM 461 OG1 THR A 31 0.359 3.957 10.379 1.00 1.00 O ATOM 462 CG2 THR A 31 -0.715 2.188 11.602 1.00 1.00 C ATOM 0 H THR A 31 -0.236 2.160 8.672 1.00 1.00 H new ATOM 0 HA THR A 31 -2.804 2.928 9.918 1.00 1.00 H new ATOM 0 HB THR A 31 -1.380 4.230 11.445 1.00 1.00 H new ATOM 0 HG1 THR A 31 0.929 4.124 11.159 1.00 1.00 H new ATOM 0 HG21 THR A 31 -0.076 2.380 12.464 1.00 1.00 H new ATOM 0 HG22 THR A 31 -1.684 1.823 11.943 1.00 1.00 H new ATOM 0 HG23 THR A 31 -0.248 1.437 10.965 1.00 1.00 H new ATOM 470 N GLU A 32 -0.858 4.812 8.005 1.00 1.00 N ATOM 471 CA GLU A 32 -0.849 6.040 7.199 1.00 1.00 C ATOM 472 C GLU A 32 0.056 5.893 5.982 1.00 1.00 C ATOM 473 O GLU A 32 0.891 4.996 5.912 1.00 1.00 O ATOM 474 CB GLU A 32 -0.385 7.205 8.093 1.00 1.00 C ATOM 475 CG GLU A 32 -0.406 8.548 7.329 1.00 1.00 C ATOM 476 CD GLU A 32 -0.199 9.729 8.287 1.00 1.00 C ATOM 477 OE1 GLU A 32 0.241 9.505 9.403 1.00 1.00 O ATOM 478 OE2 GLU A 32 -0.502 10.840 7.887 1.00 1.00 O ATOM 0 H GLU A 32 -0.016 4.242 7.922 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.854 6.239 6.826 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.031 7.273 8.968 1.00 1.00 H new ATOM 0 HB3 GLU A 32 0.624 7.007 8.456 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.375 8.550 6.569 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.357 8.660 6.809 1.00 1.00 H new ATOM 485 N ILE A 33 -0.124 6.788 5.011 1.00 1.00 N ATOM 486 CA ILE A 33 0.680 6.780 3.786 1.00 1.00 C ATOM 487 C ILE A 33 0.828 8.200 3.249 1.00 1.00 C ATOM 488 O ILE A 33 -0.109 8.995 3.308 1.00 1.00 O ATOM 489 CB ILE A 33 0.035 5.849 2.742 1.00 1.00 C ATOM 490 CG1 ILE A 33 0.885 5.812 1.444 1.00 1.00 C ATOM 491 CG2 ILE A 33 -1.394 6.328 2.420 1.00 1.00 C ATOM 492 CD1 ILE A 33 0.384 4.700 0.513 1.00 1.00 C ATOM 0 H ILE A 33 -0.822 7.531 5.048 1.00 1.00 H new ATOM 0 HA ILE A 33 1.677 6.400 4.008 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.009 4.842 3.157 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.828 6.775 0.936 1.00 1.00 H new ATOM 0 HG13 ILE A 33 1.933 5.644 1.692 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -1.842 5.664 1.681 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -1.995 6.317 3.329 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -1.357 7.342 2.022 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.989 4.685 -0.394 1.00 1.00 H new ATOM 0 HD12 ILE A 33 0.465 3.738 1.019 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -0.658 4.886 0.251 1.00 1.00 H new ATOM 504 N ASP A 34 2.010 8.511 2.713 1.00 1.00 N ATOM 505 CA ASP A 34 2.290 9.828 2.155 1.00 1.00 C ATOM 506 C ASP A 34 1.908 10.952 3.130 1.00 1.00 C ATOM 507 O ASP A 34 1.742 12.105 2.734 1.00 1.00 O ATOM 508 CB ASP A 34 1.546 9.989 0.817 1.00 1.00 C ATOM 509 CG ASP A 34 1.928 11.304 0.136 1.00 1.00 C ATOM 510 OD1 ASP A 34 3.111 11.590 0.058 1.00 1.00 O ATOM 511 OD2 ASP A 34 1.031 12.011 -0.292 1.00 1.00 O ATOM 0 H ASP A 34 2.793 7.859 2.655 1.00 1.00 H new ATOM 0 HA ASP A 34 3.363 9.906 1.983 1.00 1.00 H new ATOM 0 HB2 ASP A 34 1.784 9.152 0.161 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.470 9.963 0.989 1.00 1.00 H new ATOM 516 N GLY A 35 1.792 10.608 4.419 1.00 1.00 N ATOM 517 CA GLY A 35 1.453 11.601 5.449 1.00 1.00 C ATOM 518 C GLY A 35 -0.031 11.953 5.434 1.00 1.00 C ATOM 519 O GLY A 35 -0.433 13.000 5.937 1.00 1.00 O ATOM 0 H GLY A 35 1.926 9.660 4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 35 1.724 11.213 6.431 1.00 1.00 H new ATOM 0 HA3 GLY A 35 2.042 12.504 5.290 1.00 1.00 H new ATOM 523 N GLN A 36 -0.847 11.087 4.839 1.00 1.00 N ATOM 524 CA GLN A 36 -2.295 11.320 4.739 1.00 1.00 C ATOM 525 C GLN A 36 -3.042 10.000 4.734 1.00 1.00 C ATOM 526 O GLN A 36 -2.435 8.938 4.613 1.00 1.00 O ATOM 527 CB GLN A 36 -2.624 12.122 3.472 1.00 1.00 C ATOM 528 CG GLN A 36 -2.035 11.420 2.238 1.00 1.00 C ATOM 529 CD GLN A 36 -2.357 12.222 0.983 1.00 1.00 C ATOM 530 OE1 GLN A 36 -3.601 12.404 0.635 1.00 1.00 O flip ATOM 531 NE2 GLN A 36 -1.458 12.703 0.294 1.00 1.00 N flip ATOM 0 H GLN A 36 -0.534 10.213 4.416 1.00 1.00 H new ATOM 0 HA GLN A 36 -2.612 11.898 5.607 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -3.704 12.220 3.364 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -2.219 13.131 3.555 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -0.955 11.317 2.348 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -2.444 10.413 2.152 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -0.483 12.565 0.559 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -1.688 13.240 -0.542 1.00 1.00 H new ATOM 593 N SER A 40 -9.982 4.756 8.121 1.00 1.00 N ATOM 594 CA SER A 40 -10.982 4.470 7.067 1.00 1.00 C ATOM 595 C SER A 40 -10.321 3.880 5.829 1.00 1.00 C ATOM 596 O SER A 40 -9.472 4.518 5.209 1.00 1.00 O ATOM 597 CB SER A 40 -11.698 5.755 6.665 1.00 1.00 C ATOM 598 OG SER A 40 -12.547 5.491 5.560 1.00 1.00 O ATOM 0 HA SER A 40 -11.693 3.750 7.472 1.00 1.00 H new ATOM 0 HB2 SER A 40 -12.281 6.138 7.503 1.00 1.00 H new ATOM 0 HB3 SER A 40 -10.971 6.524 6.404 1.00 1.00 H new ATOM 0 HG SER A 40 -13.010 6.314 5.299 1.00 1.00 H new ATOM 604 N SER A 41 -10.680 2.645 5.495 1.00 1.00 N ATOM 605 CA SER A 41 -10.081 1.981 4.353 1.00 1.00 C ATOM 606 C SER A 41 -10.401 2.758 3.095 1.00 1.00 C ATOM 607 O SER A 41 -9.523 3.052 2.294 1.00 1.00 O ATOM 608 CB SER A 41 -10.631 0.560 4.236 1.00 1.00 C ATOM 609 OG SER A 41 -12.042 0.617 4.090 1.00 1.00 O ATOM 0 H SER A 41 -11.376 2.092 5.995 1.00 1.00 H new ATOM 0 HA SER A 41 -9.000 1.935 4.486 1.00 1.00 H new ATOM 0 HB2 SER A 41 -10.185 0.054 3.380 1.00 1.00 H new ATOM 0 HB3 SER A 41 -10.368 -0.019 5.121 1.00 1.00 H new ATOM 0 HG SER A 41 -12.400 -0.292 4.013 1.00 1.00 H new ATOM 615 N GLN A 42 -11.672 3.098 2.928 1.00 1.00 N ATOM 616 CA GLN A 42 -12.108 3.820 1.739 1.00 1.00 C ATOM 617 C GLN A 42 -11.239 5.052 1.519 1.00 1.00 C ATOM 618 O GLN A 42 -10.891 5.382 0.388 1.00 1.00 O ATOM 619 CB GLN A 42 -13.583 4.237 1.914 1.00 1.00 C ATOM 620 CG GLN A 42 -14.148 4.857 0.613 1.00 1.00 C ATOM 621 CD GLN A 42 -14.253 3.802 -0.486 1.00 1.00 C ATOM 622 OE1 GLN A 42 -14.648 2.663 -0.233 1.00 1.00 O ATOM 623 NE2 GLN A 42 -13.916 4.108 -1.709 1.00 1.00 N ATOM 0 H GLN A 42 -12.415 2.888 3.595 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.012 3.172 0.868 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.178 3.368 2.194 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -13.666 4.956 2.729 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -15.131 5.287 0.806 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -13.503 5.671 0.282 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -13.588 5.049 -1.927 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -13.981 3.406 -2.447 1.00 1.00 H new ATOM 632 N GLU A 43 -10.877 5.713 2.609 1.00 1.00 N ATOM 633 CA GLU A 43 -10.029 6.894 2.519 1.00 1.00 C ATOM 634 C GLU A 43 -8.653 6.490 1.994 1.00 1.00 C ATOM 635 O GLU A 43 -7.996 7.259 1.294 1.00 1.00 O ATOM 636 CB GLU A 43 -9.905 7.556 3.906 1.00 1.00 C ATOM 637 CG GLU A 43 -9.151 8.906 3.818 1.00 1.00 C ATOM 638 CD GLU A 43 -9.970 9.940 3.042 1.00 1.00 C ATOM 639 OE1 GLU A 43 -11.177 9.785 2.968 1.00 1.00 O ATOM 640 OE2 GLU A 43 -9.378 10.869 2.514 1.00 1.00 O ATOM 0 H GLU A 43 -11.153 5.456 3.557 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.474 7.613 1.831 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -10.898 7.718 4.324 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -9.378 6.886 4.586 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -8.945 9.278 4.822 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -8.188 8.758 3.329 1.00 1.00 H new ATOM 647 N PHE A 44 -8.220 5.274 2.340 1.00 1.00 N ATOM 648 CA PHE A 44 -6.923 4.774 1.901 1.00 1.00 C ATOM 649 C PHE A 44 -6.961 4.449 0.424 1.00 1.00 C ATOM 650 O PHE A 44 -6.116 4.890 -0.336 1.00 1.00 O ATOM 651 CB PHE A 44 -6.556 3.528 2.729 1.00 1.00 C ATOM 652 CG PHE A 44 -5.060 3.228 2.609 1.00 1.00 C ATOM 653 CD1 PHE A 44 -4.150 3.801 3.505 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.597 2.379 1.595 1.00 1.00 C ATOM 655 CE1 PHE A 44 -2.782 3.528 3.388 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.229 2.105 1.476 1.00 1.00 C ATOM 657 CZ PHE A 44 -2.322 2.680 2.374 1.00 1.00 C ATOM 0 H PHE A 44 -8.749 4.623 2.920 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.162 5.539 2.056 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.818 3.689 3.775 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.134 2.671 2.383 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -4.504 4.455 4.288 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.297 1.935 0.903 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -2.082 3.972 4.080 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -2.874 1.451 0.693 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.267 2.469 2.284 1.00 1.00 H new ATOM 667 N ILE A 45 -7.969 3.688 0.026 1.00 1.00 N ATOM 668 CA ILE A 45 -8.131 3.309 -1.376 1.00 1.00 C ATOM 669 C ILE A 45 -8.283 4.567 -2.222 1.00 1.00 C ATOM 670 O ILE A 45 -7.803 4.635 -3.354 1.00 1.00 O ATOM 671 CB ILE A 45 -9.377 2.367 -1.545 1.00 1.00 C ATOM 672 CG1 ILE A 45 -8.996 0.897 -1.188 1.00 1.00 C ATOM 673 CG2 ILE A 45 -9.923 2.404 -3.008 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.536 0.778 0.267 1.00 1.00 C ATOM 0 H ILE A 45 -8.687 3.320 0.649 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.250 2.762 -1.710 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.152 2.727 -0.868 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -9.854 0.246 -1.354 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -8.202 0.554 -1.852 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -10.785 1.742 -3.092 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.222 3.422 -3.259 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.144 2.074 -3.696 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.278 -0.259 0.483 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -7.662 1.410 0.425 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -9.340 1.098 0.930 1.00 1.00 H new ATOM 686 N ASP A 46 -8.975 5.547 -1.670 1.00 1.00 N ATOM 687 CA ASP A 46 -9.220 6.790 -2.392 1.00 1.00 C ATOM 688 C ASP A 46 -7.902 7.471 -2.740 1.00 1.00 C ATOM 689 O ASP A 46 -7.768 8.078 -3.801 1.00 1.00 O ATOM 690 CB ASP A 46 -10.091 7.724 -1.539 1.00 1.00 C ATOM 691 CG ASP A 46 -10.459 8.984 -2.324 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.211 8.860 -3.276 1.00 1.00 O ATOM 693 OD2 ASP A 46 -9.980 10.045 -1.961 1.00 1.00 O ATOM 0 H ASP A 46 -9.376 5.511 -0.733 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.745 6.561 -3.319 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.998 7.203 -1.231 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.556 7.999 -0.630 1.00 1.00 H new ATOM 698 N TYR A 47 -6.929 7.360 -1.842 1.00 1.00 N ATOM 699 CA TYR A 47 -5.619 7.966 -2.070 1.00 1.00 C ATOM 700 C TYR A 47 -4.867 7.273 -3.213 1.00 1.00 C ATOM 701 O TYR A 47 -4.299 7.929 -4.085 1.00 1.00 O ATOM 702 CB TYR A 47 -4.776 7.901 -0.776 1.00 1.00 C ATOM 703 CG TYR A 47 -3.324 8.257 -1.099 1.00 1.00 C ATOM 704 CD1 TYR A 47 -2.901 9.591 -1.093 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.429 7.241 -1.455 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.583 9.910 -1.441 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.111 7.557 -1.804 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.690 8.892 -1.798 1.00 1.00 C ATOM 709 OH TYR A 47 0.601 9.215 -2.143 1.00 1.00 O ATOM 0 H TYR A 47 -7.019 6.861 -0.957 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.778 9.006 -2.354 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.175 8.592 -0.033 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -4.830 6.902 -0.343 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.592 10.375 -0.820 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -2.756 6.212 -1.460 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.256 10.939 -1.434 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.420 6.773 -2.077 1.00 1.00 H new ATOM 0 HH TYR A 47 0.722 10.186 -2.086 1.00 1.00 H new ATOM 719 N ILE A 48 -4.814 5.948 -3.166 1.00 1.00 N ATOM 720 CA ILE A 48 -4.057 5.184 -4.164 1.00 1.00 C ATOM 721 C ILE A 48 -4.482 5.584 -5.577 1.00 1.00 C ATOM 722 O ILE A 48 -3.671 5.589 -6.504 1.00 1.00 O ATOM 723 CB ILE A 48 -4.273 3.655 -3.984 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.064 3.257 -2.506 1.00 1.00 C ATOM 725 CG2 ILE A 48 -3.262 2.886 -4.861 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.369 1.770 -2.288 1.00 1.00 C ATOM 0 H ILE A 48 -5.279 5.380 -2.458 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.001 5.412 -4.019 1.00 1.00 H new ATOM 0 HB ILE A 48 -5.291 3.406 -4.283 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.036 3.468 -2.211 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -4.709 3.861 -1.868 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -3.413 1.814 -4.735 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -3.411 3.153 -5.907 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -2.247 3.147 -4.561 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -4.214 1.517 -1.239 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -5.405 1.567 -2.561 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -3.706 1.168 -2.909 1.00 1.00 H new ATOM 738 N HIS A 49 -5.766 5.904 -5.733 1.00 1.00 N ATOM 739 CA HIS A 49 -6.305 6.296 -7.036 1.00 1.00 C ATOM 740 C HIS A 49 -6.111 7.792 -7.285 1.00 1.00 C ATOM 741 O HIS A 49 -6.123 8.242 -8.430 1.00 1.00 O ATOM 742 CB HIS A 49 -7.809 5.994 -7.059 1.00 1.00 C ATOM 743 CG HIS A 49 -8.056 4.536 -6.787 1.00 1.00 C ATOM 744 ND1 HIS A 49 -9.334 4.044 -6.581 1.00 1.00 N ATOM 745 CD2 HIS A 49 -7.218 3.450 -6.696 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.229 2.721 -6.380 1.00 1.00 C ATOM 747 NE2 HIS A 49 -7.963 2.300 -6.438 1.00 1.00 N ATOM 0 H HIS A 49 -6.451 5.900 -4.977 1.00 1.00 H new ATOM 0 HA HIS A 49 -5.778 5.738 -7.810 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.320 6.601 -6.312 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.226 6.265 -8.029 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -6.144 3.483 -6.808 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -10.071 2.072 -6.193 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -7.617 1.348 -6.320 1.00 1.00 H new ATOM 756 N SER A 50 -5.952 8.561 -6.209 1.00 1.00 N ATOM 757 CA SER A 50 -5.789 10.013 -6.324 1.00 1.00 C ATOM 758 C SER A 50 -4.430 10.372 -6.916 1.00 1.00 C ATOM 759 O SER A 50 -4.229 11.489 -7.388 1.00 1.00 O ATOM 760 CB SER A 50 -5.939 10.655 -4.942 1.00 1.00 C ATOM 761 OG SER A 50 -4.810 10.330 -4.149 1.00 1.00 O ATOM 0 H SER A 50 -5.932 8.208 -5.252 1.00 1.00 H new ATOM 0 HA SER A 50 -6.560 10.393 -6.994 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.030 11.737 -5.039 1.00 1.00 H new ATOM 0 HB3 SER A 50 -6.850 10.300 -4.461 1.00 1.00 H new ATOM 0 HG SER A 50 -4.500 9.428 -4.375 1.00 1.00 H new ATOM 767 N LYS A 51 -3.495 9.420 -6.885 1.00 1.00 N ATOM 768 CA LYS A 51 -2.146 9.635 -7.418 1.00 1.00 C ATOM 769 C LYS A 51 -2.095 9.237 -8.876 1.00 1.00 C ATOM 770 O LYS A 51 -3.130 8.978 -9.485 1.00 1.00 O ATOM 771 CB LYS A 51 -1.137 8.805 -6.603 1.00 1.00 C ATOM 772 CG LYS A 51 -1.191 9.196 -5.093 1.00 1.00 C ATOM 773 CD LYS A 51 -0.455 10.544 -4.820 1.00 1.00 C ATOM 774 CE LYS A 51 1.080 10.413 -5.035 1.00 1.00 C ATOM 775 NZ LYS A 51 1.773 11.392 -4.163 1.00 1.00 N ATOM 0 H LYS A 51 -3.647 8.490 -6.495 1.00 1.00 H new ATOM 0 HA LYS A 51 -1.889 10.691 -7.339 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.356 7.743 -6.717 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.131 8.966 -6.989 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -2.230 9.278 -4.775 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.736 8.406 -4.496 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -0.851 11.315 -5.481 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -0.653 10.867 -3.798 1.00 1.00 H new ATOM 0 HE2 LYS A 51 1.408 9.401 -4.800 1.00 1.00 H new ATOM 0 HE3 LYS A 51 1.331 10.595 -6.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 2.581 11.802 -4.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 1.112 12.149 -3.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 2.113 10.913 -3.305 1.00 1.00 H new ATOM 789 N LYS A 52 -0.880 9.219 -9.438 1.00 1.00 N ATOM 790 CA LYS A 52 -0.668 8.875 -10.854 1.00 1.00 C ATOM 791 C LYS A 52 0.394 7.791 -10.977 1.00 1.00 C ATOM 792 O LYS A 52 1.071 7.449 -10.010 1.00 1.00 O ATOM 793 CB LYS A 52 -0.233 10.126 -11.628 1.00 1.00 C ATOM 794 CG LYS A 52 -1.343 11.186 -11.554 1.00 1.00 C ATOM 795 CD LYS A 52 -0.919 12.434 -12.339 1.00 1.00 C ATOM 796 CE LYS A 52 -2.003 13.509 -12.226 1.00 1.00 C ATOM 797 NZ LYS A 52 -3.295 12.959 -12.725 1.00 1.00 N ATOM 0 H LYS A 52 -0.022 9.440 -8.932 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.601 8.499 -11.273 1.00 1.00 H new ATOM 0 HB2 LYS A 52 0.692 10.523 -11.209 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -0.028 9.871 -12.668 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.270 10.785 -11.963 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.540 11.448 -10.515 1.00 1.00 H new ATOM 0 HD2 LYS A 52 0.026 12.815 -11.952 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -0.755 12.178 -13.386 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -2.107 13.829 -11.189 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -1.721 14.389 -12.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -3.940 13.742 -12.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -3.124 12.390 -13.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -3.724 12.361 -11.991 1.00 1.00 H new ATOM 811 N VAL A 53 0.503 7.233 -12.176 1.00 1.00 N ATOM 812 CA VAL A 53 1.460 6.158 -12.440 1.00 1.00 C ATOM 813 C VAL A 53 2.894 6.689 -12.434 1.00 1.00 C ATOM 814 O VAL A 53 3.189 7.727 -13.025 1.00 1.00 O ATOM 815 CB VAL A 53 1.157 5.505 -13.807 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.055 4.265 -14.019 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.319 5.077 -13.849 1.00 1.00 C ATOM 0 H VAL A 53 -0.058 7.505 -12.983 1.00 1.00 H new ATOM 0 HA VAL A 53 1.361 5.414 -11.650 1.00 1.00 H new ATOM 0 HB VAL A 53 1.358 6.228 -14.598 1.00 1.00 H new ATOM 0 HG11 VAL A 53 1.831 3.815 -14.986 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.102 4.565 -13.993 1.00 1.00 H new ATOM 0 HG13 VAL A 53 1.866 3.539 -13.228 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.537 4.616 -14.812 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.513 4.360 -13.051 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.955 5.951 -13.713 1.00 1.00 H new ATOM 827 N GLY A 54 3.781 5.950 -11.762 1.00 1.00 N ATOM 828 CA GLY A 54 5.202 6.316 -11.673 1.00 1.00 C ATOM 829 C GLY A 54 5.454 7.194 -10.458 1.00 1.00 C ATOM 830 O GLY A 54 6.595 7.541 -10.150 1.00 1.00 O ATOM 0 H GLY A 54 3.541 5.090 -11.269 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.812 5.415 -11.610 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.505 6.843 -12.578 1.00 1.00 H new ATOM 834 N ASP A 55 4.374 7.544 -9.770 1.00 1.00 N ATOM 835 CA ASP A 55 4.457 8.385 -8.578 1.00 1.00 C ATOM 836 C ASP A 55 5.098 7.608 -7.432 1.00 1.00 C ATOM 837 O ASP A 55 4.929 6.396 -7.333 1.00 1.00 O ATOM 838 CB ASP A 55 3.043 8.831 -8.175 1.00 1.00 C ATOM 839 CG ASP A 55 2.436 9.706 -9.270 1.00 1.00 C ATOM 840 OD1 ASP A 55 2.761 9.483 -10.425 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.663 10.588 -8.936 1.00 1.00 O ATOM 0 H ASP A 55 3.426 7.258 -10.017 1.00 1.00 H new ATOM 0 HA ASP A 55 5.070 9.260 -8.796 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.413 7.958 -8.005 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.081 9.384 -7.236 1.00 1.00 H new ATOM 846 N THR A 56 5.844 8.322 -6.574 1.00 1.00 N ATOM 847 CA THR A 56 6.525 7.713 -5.412 1.00 1.00 C ATOM 848 C THR A 56 5.769 8.076 -4.134 1.00 1.00 C ATOM 849 O THR A 56 5.312 9.207 -3.977 1.00 1.00 O ATOM 850 CB THR A 56 7.969 8.232 -5.309 1.00 1.00 C ATOM 851 OG1 THR A 56 8.607 8.092 -6.569 1.00 1.00 O ATOM 852 CG2 THR A 56 8.754 7.434 -4.250 1.00 1.00 C ATOM 0 H THR A 56 5.993 9.327 -6.661 1.00 1.00 H new ATOM 0 HA THR A 56 6.543 6.631 -5.540 1.00 1.00 H new ATOM 0 HB THR A 56 7.947 9.281 -5.015 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.527 8.423 -6.508 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.774 7.814 -4.190 1.00 1.00 H new ATOM 0 HG22 THR A 56 8.269 7.542 -3.280 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.775 6.381 -4.530 1.00 1.00 H new ATOM 860 N VAL A 57 5.640 7.103 -3.232 1.00 1.00 N ATOM 861 CA VAL A 57 4.928 7.298 -1.956 1.00 1.00 C ATOM 862 C VAL A 57 5.665 6.642 -0.800 1.00 1.00 C ATOM 863 O VAL A 57 6.543 5.815 -1.007 1.00 1.00 O ATOM 864 CB VAL A 57 3.504 6.719 -2.066 1.00 1.00 C ATOM 865 CG1 VAL A 57 2.734 7.464 -3.174 1.00 1.00 C ATOM 866 CG2 VAL A 57 3.557 5.215 -2.404 1.00 1.00 C ATOM 0 H VAL A 57 6.020 6.165 -3.357 1.00 1.00 H new ATOM 0 HA VAL A 57 4.878 8.368 -1.755 1.00 1.00 H new ATOM 0 HB VAL A 57 2.998 6.847 -1.109 1.00 1.00 H new ATOM 0 HG11 VAL A 57 1.726 7.056 -3.254 1.00 1.00 H new ATOM 0 HG12 VAL A 57 2.678 8.524 -2.928 1.00 1.00 H new ATOM 0 HG13 VAL A 57 3.252 7.339 -4.125 1.00 1.00 H new ATOM 0 HG21 VAL A 57 2.543 4.823 -2.478 1.00 1.00 H new ATOM 0 HG22 VAL A 57 4.071 5.074 -3.355 1.00 1.00 H new ATOM 0 HG23 VAL A 57 4.095 4.684 -1.618 1.00 1.00 H new ATOM 876 N LYS A 58 5.276 7.037 0.417 1.00 1.00 N ATOM 877 CA LYS A 58 5.859 6.514 1.663 1.00 1.00 C ATOM 878 C LYS A 58 4.760 5.900 2.500 1.00 1.00 C ATOM 879 O LYS A 58 3.831 6.592 2.897 1.00 1.00 O ATOM 880 CB LYS A 58 6.519 7.661 2.449 1.00 1.00 C ATOM 881 CG LYS A 58 7.660 8.321 1.599 1.00 1.00 C ATOM 882 CD LYS A 58 7.137 9.585 0.884 1.00 1.00 C ATOM 883 CE LYS A 58 8.227 10.162 -0.018 1.00 1.00 C ATOM 884 NZ LYS A 58 9.396 10.532 0.821 1.00 1.00 N ATOM 0 H LYS A 58 4.545 7.732 0.569 1.00 1.00 H new ATOM 0 HA LYS A 58 6.611 5.761 1.427 1.00 1.00 H new ATOM 0 HB2 LYS A 58 5.771 8.410 2.709 1.00 1.00 H new ATOM 0 HB3 LYS A 58 6.928 7.281 3.385 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.499 8.582 2.245 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.033 7.608 0.864 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.255 9.340 0.292 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.830 10.329 1.620 1.00 1.00 H new ATOM 0 HE2 LYS A 58 8.520 9.431 -0.772 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.853 11.036 -0.551 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 10.007 11.189 0.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.066 10.990 1.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 9.935 9.676 1.062 1.00 1.00 H new ATOM 898 N ILE A 59 4.863 4.596 2.756 1.00 1.00 N ATOM 899 CA ILE A 59 3.858 3.874 3.533 1.00 1.00 C ATOM 900 C ILE A 59 4.282 3.727 4.985 1.00 1.00 C ATOM 901 O ILE A 59 5.453 3.483 5.268 1.00 1.00 O ATOM 902 CB ILE A 59 3.618 2.478 2.902 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.321 1.836 3.480 1.00 1.00 C ATOM 904 CG2 ILE A 59 4.801 1.518 3.162 1.00 1.00 C ATOM 905 CD1 ILE A 59 1.897 0.617 2.656 1.00 1.00 C ATOM 0 H ILE A 59 5.638 4.016 2.434 1.00 1.00 H new ATOM 0 HA ILE A 59 2.931 4.448 3.514 1.00 1.00 H new ATOM 0 HB ILE A 59 3.518 2.629 1.827 1.00 1.00 H new ATOM 0 HG12 ILE A 59 2.488 1.539 4.515 1.00 1.00 H new ATOM 0 HG13 ILE A 59 1.518 2.573 3.486 1.00 1.00 H new ATOM 0 HG21 ILE A 59 4.593 0.551 2.703 1.00 1.00 H new ATOM 0 HG22 ILE A 59 5.710 1.936 2.730 1.00 1.00 H new ATOM 0 HG23 ILE A 59 4.935 1.389 4.236 1.00 1.00 H new ATOM 0 HD11 ILE A 59 0.989 0.188 3.081 1.00 1.00 H new ATOM 0 HD12 ILE A 59 1.707 0.922 1.627 1.00 1.00 H new ATOM 0 HD13 ILE A 59 2.692 -0.128 2.673 1.00 1.00 H new ATOM 917 N LYS A 60 3.315 3.847 5.892 1.00 1.00 N ATOM 918 CA LYS A 60 3.553 3.696 7.325 1.00 1.00 C ATOM 919 C LYS A 60 2.663 2.568 7.826 1.00 1.00 C ATOM 920 O LYS A 60 1.442 2.640 7.710 1.00 1.00 O ATOM 921 CB LYS A 60 3.225 5.013 8.042 1.00 1.00 C ATOM 922 CG LYS A 60 3.471 4.869 9.551 1.00 1.00 C ATOM 923 CD LYS A 60 3.308 6.223 10.245 1.00 1.00 C ATOM 924 CE LYS A 60 3.571 6.068 11.743 1.00 1.00 C ATOM 925 NZ LYS A 60 3.438 7.395 12.391 1.00 1.00 N ATOM 0 H LYS A 60 2.345 4.052 5.654 1.00 1.00 H new ATOM 0 HA LYS A 60 4.597 3.457 7.526 1.00 1.00 H new ATOM 0 HB2 LYS A 60 3.841 5.818 7.641 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.186 5.286 7.860 1.00 1.00 H new ATOM 0 HG2 LYS A 60 2.771 4.149 9.974 1.00 1.00 H new ATOM 0 HG3 LYS A 60 4.474 4.480 9.728 1.00 1.00 H new ATOM 0 HD2 LYS A 60 4.001 6.948 9.817 1.00 1.00 H new ATOM 0 HD3 LYS A 60 2.302 6.608 10.080 1.00 1.00 H new ATOM 0 HE2 LYS A 60 2.864 5.362 12.179 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.569 5.664 11.911 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 3.615 7.302 13.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 4.129 8.054 11.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 2.477 7.761 12.238 1.00 1.00 H new ATOM 939 N TYR A 61 3.278 1.518 8.377 1.00 1.00 N ATOM 940 CA TYR A 61 2.534 0.366 8.880 1.00 1.00 C ATOM 941 C TYR A 61 3.256 -0.241 10.073 1.00 1.00 C ATOM 942 O TYR A 61 4.451 -0.002 10.264 1.00 1.00 O ATOM 943 CB TYR A 61 2.380 -0.661 7.735 1.00 1.00 C ATOM 944 CG TYR A 61 3.697 -1.414 7.482 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.041 -2.521 8.266 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.558 -1.004 6.457 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.234 -3.215 8.028 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.753 -1.694 6.216 1.00 1.00 C ATOM 949 CZ TYR A 61 6.091 -2.801 7.003 1.00 1.00 C ATOM 950 OH TYR A 61 7.267 -3.483 6.768 1.00 1.00 O ATOM 0 H TYR A 61 4.290 1.444 8.485 1.00 1.00 H new ATOM 0 HA TYR A 61 1.544 0.674 9.217 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.593 -1.373 7.985 1.00 1.00 H new ATOM 0 HB3 TYR A 61 2.070 -0.150 6.824 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.382 -2.842 9.059 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.299 -0.150 5.848 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.492 -4.070 8.636 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.413 -1.372 5.424 1.00 1.00 H new ATOM 0 HH TYR A 61 7.744 -3.065 6.020 1.00 1.00 H new ATOM 960 N LYS A 62 2.527 -1.034 10.865 1.00 1.00 N ATOM 961 CA LYS A 62 3.093 -1.698 12.045 1.00 1.00 C ATOM 962 C LYS A 62 2.793 -3.188 12.018 1.00 1.00 C ATOM 963 O LYS A 62 1.632 -3.591 12.083 1.00 1.00 O ATOM 964 CB LYS A 62 2.479 -1.106 13.321 1.00 1.00 C ATOM 965 CG LYS A 62 2.667 0.434 13.346 1.00 1.00 C ATOM 966 CD LYS A 62 2.476 0.982 14.778 1.00 1.00 C ATOM 967 CE LYS A 62 1.112 0.540 15.361 1.00 1.00 C ATOM 968 NZ LYS A 62 0.047 0.735 14.343 1.00 1.00 N ATOM 0 H LYS A 62 1.539 -1.233 10.709 1.00 1.00 H new ATOM 0 HA LYS A 62 4.172 -1.542 12.035 1.00 1.00 H new ATOM 0 HB2 LYS A 62 1.418 -1.350 13.369 1.00 1.00 H new ATOM 0 HB3 LYS A 62 2.948 -1.551 14.199 1.00 1.00 H new ATOM 0 HG2 LYS A 62 3.662 0.690 12.982 1.00 1.00 H new ATOM 0 HG3 LYS A 62 1.951 0.904 12.672 1.00 1.00 H new ATOM 0 HD2 LYS A 62 3.283 0.626 15.419 1.00 1.00 H new ATOM 0 HD3 LYS A 62 2.536 2.070 14.766 1.00 1.00 H new ATOM 0 HE2 LYS A 62 1.155 -0.507 15.660 1.00 1.00 H new ATOM 0 HE3 LYS A 62 0.883 1.118 16.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -0.860 0.390 14.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 -0.035 1.747 14.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 0.289 0.205 13.482 1.00 1.00 H new ATOM 982 N HIS A 63 3.851 -4.000 11.963 1.00 1.00 N ATOM 983 CA HIS A 63 3.723 -5.456 11.972 1.00 1.00 C ATOM 984 C HIS A 63 4.192 -5.973 13.334 1.00 1.00 C ATOM 985 O HIS A 63 5.375 -5.899 13.667 1.00 1.00 O ATOM 986 CB HIS A 63 4.569 -6.063 10.845 1.00 1.00 C ATOM 987 CG HIS A 63 4.464 -7.564 10.886 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.378 -8.406 10.906 1.00 1.00 N flip ATOM 989 CD2 HIS A 63 5.580 -8.384 10.940 1.00 1.00 C flip ATOM 990 CE1 HIS A 63 3.811 -9.729 10.974 1.00 1.00 C flip ATOM 991 NE2 HIS A 63 5.144 -9.653 10.990 1.00 1.00 N flip ATOM 0 H HIS A 63 4.814 -3.668 11.911 1.00 1.00 H new ATOM 0 HA HIS A 63 2.685 -5.745 11.808 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.227 -5.691 9.879 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.610 -5.758 10.954 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.611 -8.062 10.942 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.202 -10.620 11.007 1.00 1.00 H new ATOM 0 HE2 HIS A 63 5.760 -10.465 11.035 1.00 1.00 H new ATOM 1000 N GLY A 64 3.249 -6.498 14.109 1.00 1.00 N ATOM 1001 CA GLY A 64 3.548 -7.028 15.433 1.00 1.00 C ATOM 1002 C GLY A 64 3.821 -5.900 16.423 1.00 1.00 C ATOM 1003 O GLY A 64 2.944 -5.076 16.680 1.00 1.00 O ATOM 0 H GLY A 64 2.267 -6.568 13.841 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.711 -7.631 15.785 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.415 -7.687 15.378 1.00 1.00 H new ATOM 1007 N ASN A 65 5.043 -5.871 16.982 1.00 1.00 N ATOM 1008 CA ASN A 65 5.449 -4.841 17.961 1.00 1.00 C ATOM 1009 C ASN A 65 6.582 -3.969 17.429 1.00 1.00 C ATOM 1010 O ASN A 65 7.219 -3.256 18.202 1.00 1.00 O ATOM 1011 CB ASN A 65 5.893 -5.529 19.254 1.00 1.00 C ATOM 1012 CG ASN A 65 4.741 -6.357 19.814 1.00 1.00 C ATOM 1013 OD1 ASN A 65 3.736 -5.810 20.270 1.00 1.00 O ATOM 1014 ND2 ASN A 65 4.820 -7.659 19.820 1.00 1.00 N ATOM 0 H ASN A 65 5.773 -6.552 16.773 1.00 1.00 H new ATOM 0 HA ASN A 65 4.593 -4.192 18.149 1.00 1.00 H new ATOM 0 HB2 ASN A 65 6.754 -6.169 19.060 1.00 1.00 H new ATOM 0 HB3 ASN A 65 6.208 -4.784 19.985 1.00 1.00 H new ATOM 0 HD21 ASN A 65 4.054 -8.215 20.200 1.00 1.00 H new ATOM 0 HD22 ASN A 65 5.648 -8.121 19.445 1.00 1.00 H new ATOM 1021 N LYS A 66 6.845 -4.039 16.117 1.00 1.00 N ATOM 1022 CA LYS A 66 7.927 -3.251 15.492 1.00 1.00 C ATOM 1023 C LYS A 66 7.397 -2.433 14.315 1.00 1.00 C ATOM 1024 O LYS A 66 6.885 -2.987 13.341 1.00 1.00 O ATOM 1025 CB LYS A 66 9.022 -4.213 15.005 1.00 1.00 C ATOM 1026 CG LYS A 66 10.238 -3.426 14.462 1.00 1.00 C ATOM 1027 CD LYS A 66 11.389 -4.392 14.109 1.00 1.00 C ATOM 1028 CE LYS A 66 10.992 -5.342 12.952 1.00 1.00 C ATOM 1029 NZ LYS A 66 12.224 -5.922 12.362 1.00 1.00 N ATOM 0 H LYS A 66 6.328 -4.630 15.466 1.00 1.00 H new ATOM 0 HA LYS A 66 8.334 -2.558 16.229 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.337 -4.859 15.825 1.00 1.00 H new ATOM 0 HB3 LYS A 66 8.623 -4.861 14.224 1.00 1.00 H new ATOM 0 HG2 LYS A 66 9.947 -2.858 13.578 1.00 1.00 H new ATOM 0 HG3 LYS A 66 10.575 -2.705 15.207 1.00 1.00 H new ATOM 0 HD2 LYS A 66 12.273 -3.820 13.826 1.00 1.00 H new ATOM 0 HD3 LYS A 66 11.657 -4.978 14.988 1.00 1.00 H new ATOM 0 HE2 LYS A 66 10.342 -6.135 13.322 1.00 1.00 H new ATOM 0 HE3 LYS A 66 10.431 -4.797 12.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.968 -6.562 11.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 12.828 -5.157 11.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.741 -6.453 13.091 1.00 1.00 H new ATOM 1043 N ASN A 67 7.534 -1.107 14.411 1.00 1.00 N ATOM 1044 CA ASN A 67 7.085 -0.203 13.359 1.00 1.00 C ATOM 1045 C ASN A 67 8.169 -0.072 12.290 1.00 1.00 C ATOM 1046 O ASN A 67 9.344 0.118 12.599 1.00 1.00 O ATOM 1047 CB ASN A 67 6.764 1.178 13.951 1.00 1.00 C ATOM 1048 CG ASN A 67 6.169 2.097 12.880 1.00 1.00 C ATOM 1049 OD1 ASN A 67 6.279 1.826 11.684 1.00 1.00 O ATOM 1050 ND2 ASN A 67 5.535 3.181 13.236 1.00 1.00 N ATOM 0 H ASN A 67 7.955 -0.638 15.213 1.00 1.00 H new ATOM 0 HA ASN A 67 6.182 -0.610 12.904 1.00 1.00 H new ATOM 0 HB2 ASN A 67 6.062 1.071 14.778 1.00 1.00 H new ATOM 0 HB3 ASN A 67 7.671 1.625 14.359 1.00 1.00 H new ATOM 0 HD21 ASN A 67 5.136 3.795 12.526 1.00 1.00 H new ATOM 0 HD22 ASN A 67 5.439 3.414 14.224 1.00 1.00 H new ATOM 1057 N GLU A 68 7.744 -0.185 11.035 1.00 1.00 N ATOM 1058 CA GLU A 68 8.643 -0.094 9.869 1.00 1.00 C ATOM 1059 C GLU A 68 8.097 0.916 8.867 1.00 1.00 C ATOM 1060 O GLU A 68 6.918 1.272 8.900 1.00 1.00 O ATOM 1061 CB GLU A 68 8.762 -1.481 9.210 1.00 1.00 C ATOM 1062 CG GLU A 68 9.393 -2.488 10.197 1.00 1.00 C ATOM 1063 CD GLU A 68 10.851 -2.126 10.487 1.00 1.00 C ATOM 1064 OE1 GLU A 68 11.487 -1.552 9.618 1.00 1.00 O ATOM 1065 OE2 GLU A 68 11.314 -2.419 11.577 1.00 1.00 O ATOM 0 H GLU A 68 6.767 -0.343 10.788 1.00 1.00 H new ATOM 0 HA GLU A 68 9.629 0.237 10.196 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.777 -1.831 8.902 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.372 -1.413 8.309 1.00 1.00 H new ATOM 0 HG2 GLU A 68 8.824 -2.497 11.127 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.340 -3.494 9.781 1.00 1.00 H new ATOM 1072 N GLU A 69 8.981 1.377 7.976 1.00 1.00 N ATOM 1073 CA GLU A 69 8.620 2.362 6.942 1.00 1.00 C ATOM 1074 C GLU A 69 9.321 2.026 5.628 1.00 1.00 C ATOM 1075 O GLU A 69 10.478 1.606 5.612 1.00 1.00 O ATOM 1076 CB GLU A 69 8.990 3.779 7.410 1.00 1.00 C ATOM 1077 CG GLU A 69 10.488 3.873 7.728 1.00 1.00 C ATOM 1078 CD GLU A 69 10.827 5.270 8.246 1.00 1.00 C ATOM 1079 OE1 GLU A 69 10.557 5.539 9.404 1.00 1.00 O ATOM 1080 OE2 GLU A 69 11.351 6.060 7.478 1.00 1.00 O ATOM 0 H GLU A 69 9.958 1.084 7.948 1.00 1.00 H new ATOM 0 HA GLU A 69 7.543 2.325 6.776 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.732 4.502 6.636 1.00 1.00 H new ATOM 0 HB3 GLU A 69 8.409 4.038 8.295 1.00 1.00 H new ATOM 0 HG2 GLU A 69 10.757 3.125 8.473 1.00 1.00 H new ATOM 0 HG3 GLU A 69 11.072 3.656 6.834 1.00 1.00 H new ATOM 1087 N ALA A 70 8.589 2.186 4.526 1.00 1.00 N ATOM 1088 CA ALA A 70 9.099 1.868 3.194 1.00 1.00 C ATOM 1089 C ALA A 70 8.442 2.752 2.148 1.00 1.00 C ATOM 1090 O ALA A 70 7.407 3.359 2.393 1.00 1.00 O ATOM 1091 CB ALA A 70 8.844 0.396 2.866 1.00 1.00 C ATOM 0 H ALA A 70 7.632 2.538 4.531 1.00 1.00 H new ATOM 0 HA ALA A 70 10.173 2.052 3.184 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.229 0.173 1.871 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.348 -0.233 3.600 1.00 1.00 H new ATOM 0 HB3 ALA A 70 7.773 0.197 2.893 1.00 1.00 H new ATOM 1097 N SER A 71 9.076 2.836 0.978 1.00 1.00 N ATOM 1098 CA SER A 71 8.561 3.639 -0.142 1.00 1.00 C ATOM 1099 C SER A 71 8.510 2.773 -1.394 1.00 1.00 C ATOM 1100 O SER A 71 9.413 1.974 -1.640 1.00 1.00 O ATOM 1101 CB SER A 71 9.455 4.847 -0.391 1.00 1.00 C ATOM 1102 OG SER A 71 10.747 4.391 -0.766 1.00 1.00 O ATOM 0 H SER A 71 9.953 2.356 0.776 1.00 1.00 H new ATOM 0 HA SER A 71 7.561 3.995 0.106 1.00 1.00 H new ATOM 0 HB2 SER A 71 9.033 5.473 -1.177 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.518 5.462 0.507 1.00 1.00 H new ATOM 0 HG SER A 71 11.331 5.161 -0.931 1.00 1.00 H new ATOM 1108 N ILE A 72 7.423 2.908 -2.165 1.00 1.00 N ATOM 1109 CA ILE A 72 7.214 2.113 -3.382 1.00 1.00 C ATOM 1110 C ILE A 72 6.658 2.981 -4.496 1.00 1.00 C ATOM 1111 O ILE A 72 5.907 3.917 -4.262 1.00 1.00 O ATOM 1112 CB ILE A 72 6.223 0.948 -3.076 1.00 1.00 C ATOM 1113 CG1 ILE A 72 5.043 1.451 -2.167 1.00 1.00 C ATOM 1114 CG2 ILE A 72 6.973 -0.227 -2.414 1.00 1.00 C ATOM 1115 CD1 ILE A 72 5.441 1.696 -0.679 1.00 1.00 C ATOM 0 H ILE A 72 6.669 3.566 -1.965 1.00 1.00 H new ATOM 0 HA ILE A 72 8.171 1.705 -3.706 1.00 1.00 H new ATOM 0 HB ILE A 72 5.794 0.595 -4.014 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.649 2.378 -2.583 1.00 1.00 H new ATOM 0 HG13 ILE A 72 4.237 0.718 -2.200 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.272 -1.035 -2.205 1.00 1.00 H new ATOM 0 HG22 ILE A 72 7.751 -0.587 -3.087 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.427 0.110 -1.482 1.00 1.00 H new ATOM 0 HD11 ILE A 72 4.570 2.041 -0.122 1.00 1.00 H new ATOM 0 HD12 ILE A 72 5.806 0.767 -0.242 1.00 1.00 H new ATOM 0 HD13 ILE A 72 6.225 2.452 -0.632 1.00 1.00 H new ATOM 1127 N LYS A 73 7.038 2.645 -5.723 1.00 1.00 N ATOM 1128 CA LYS A 73 6.579 3.372 -6.892 1.00 1.00 C ATOM 1129 C LYS A 73 5.247 2.803 -7.365 1.00 1.00 C ATOM 1130 O LYS A 73 5.080 1.588 -7.454 1.00 1.00 O ATOM 1131 CB LYS A 73 7.622 3.242 -8.006 1.00 1.00 C ATOM 1132 CG LYS A 73 7.217 4.092 -9.234 1.00 1.00 C ATOM 1133 CD LYS A 73 8.352 4.086 -10.281 1.00 1.00 C ATOM 1134 CE LYS A 73 8.621 2.651 -10.815 1.00 1.00 C ATOM 1135 NZ LYS A 73 9.569 1.964 -9.893 1.00 1.00 N ATOM 0 H LYS A 73 7.666 1.869 -5.931 1.00 1.00 H new ATOM 0 HA LYS A 73 6.444 4.423 -6.638 1.00 1.00 H new ATOM 0 HB2 LYS A 73 8.596 3.565 -7.639 1.00 1.00 H new ATOM 0 HB3 LYS A 73 7.722 2.197 -8.298 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.303 3.695 -9.675 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.003 5.115 -8.924 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.087 4.741 -11.111 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.262 4.487 -9.836 1.00 1.00 H new ATOM 0 HE2 LYS A 73 7.688 2.092 -10.881 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.038 2.695 -11.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 10.390 1.620 -10.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 9.889 2.632 -9.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 9.091 1.159 -9.440 1.00 1.00 H new ATOM 1149 N LEU A 74 4.313 3.686 -7.679 1.00 1.00 N ATOM 1150 CA LEU A 74 2.999 3.267 -8.153 1.00 1.00 C ATOM 1151 C LEU A 74 3.105 2.648 -9.541 1.00 1.00 C ATOM 1152 O LEU A 74 3.960 3.025 -10.343 1.00 1.00 O ATOM 1153 CB LEU A 74 2.046 4.491 -8.167 1.00 1.00 C ATOM 1154 CG LEU A 74 1.336 4.674 -6.796 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.387 3.468 -6.472 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.396 4.858 -5.676 1.00 1.00 C ATOM 0 H LEU A 74 4.438 4.696 -7.615 1.00 1.00 H new ATOM 0 HA LEU A 74 2.596 2.510 -7.480 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.611 5.391 -8.409 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.299 4.364 -8.951 1.00 1.00 H new ATOM 0 HG LEU A 74 0.714 5.568 -6.849 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.092 3.631 -5.506 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.376 3.387 -7.246 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.968 2.547 -6.438 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.894 4.986 -4.717 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.038 3.978 -5.635 1.00 1.00 H new ATOM 0 HD23 LEU A 74 3.001 5.739 -5.889 1.00 1.00 H new ATOM 1168 N THR A 75 2.224 1.673 -9.799 1.00 1.00 N ATOM 1169 CA THR A 75 2.199 0.960 -11.080 1.00 1.00 C ATOM 1170 C THR A 75 0.763 0.687 -11.516 1.00 1.00 C ATOM 1171 O THR A 75 -0.182 0.851 -10.743 1.00 1.00 O ATOM 1172 CB THR A 75 2.966 -0.371 -10.936 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.174 -1.283 -10.187 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.296 -0.137 -10.197 1.00 1.00 C ATOM 0 H THR A 75 1.517 1.360 -9.134 1.00 1.00 H new ATOM 0 HA THR A 75 2.676 1.579 -11.840 1.00 1.00 H new ATOM 0 HB THR A 75 3.172 -0.775 -11.927 1.00 1.00 H new ATOM 0 HG1 THR A 75 2.654 -2.132 -10.092 1.00 1.00 H new ATOM 0 HG21 THR A 75 4.830 -1.082 -10.100 1.00 1.00 H new ATOM 0 HG22 THR A 75 4.906 0.568 -10.761 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.095 0.269 -9.206 1.00 1.00 H new ATOM 1182 N ALA A 76 0.623 0.260 -12.767 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.685 -0.062 -13.344 1.00 1.00 C ATOM 1184 C ALA A 76 -1.119 -1.448 -12.899 1.00 1.00 C ATOM 1185 O ALA A 76 -0.283 -2.326 -12.688 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.594 -0.034 -14.874 1.00 1.00 C ATOM 0 H ALA A 76 1.405 0.127 -13.408 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.413 0.675 -13.004 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.568 -0.274 -15.301 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.289 0.960 -15.202 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.139 -0.768 -15.208 1.00 1.00 H new ATOM 1192 N ILE A 77 -2.434 -1.633 -12.760 1.00 1.00 N ATOM 1193 CA ILE A 77 -3.014 -2.917 -12.334 1.00 1.00 C ATOM 1194 C ILE A 77 -4.120 -3.360 -13.297 1.00 1.00 C ATOM 1195 O ILE A 77 -4.073 -4.471 -13.825 1.00 1.00 O ATOM 1196 CB ILE A 77 -3.588 -2.780 -10.878 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -4.162 -1.337 -10.649 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -2.475 -3.056 -9.840 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -5.160 -1.317 -9.486 1.00 1.00 C ATOM 0 H ILE A 77 -3.126 -0.905 -12.937 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.230 -3.675 -12.344 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.390 -3.508 -10.756 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.345 -0.646 -10.443 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -4.652 -0.989 -11.558 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -2.883 -2.958 -8.834 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -2.090 -4.066 -9.979 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.666 -2.338 -9.974 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -5.541 -0.305 -9.351 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -5.989 -1.990 -9.706 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.661 -1.642 -8.573 1.00 1.00 H new ATOM 1211 N ASP A 78 -5.124 -2.509 -13.501 1.00 1.00 N ATOM 1212 CA ASP A 78 -6.260 -2.850 -14.374 1.00 1.00 C ATOM 1213 C ASP A 78 -6.058 -2.292 -15.773 1.00 1.00 C ATOM 1214 O ASP A 78 -5.199 -1.443 -16.008 1.00 1.00 O ATOM 1215 CB ASP A 78 -7.563 -2.297 -13.775 1.00 1.00 C ATOM 1216 CG ASP A 78 -7.811 -2.872 -12.384 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -7.343 -3.960 -12.096 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -8.492 -2.218 -11.611 1.00 1.00 O ATOM 0 H ASP A 78 -5.180 -1.582 -13.079 1.00 1.00 H new ATOM 0 HA ASP A 78 -6.324 -3.936 -14.444 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -7.509 -1.210 -13.719 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -8.401 -2.541 -14.428 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.872 -2.792 -16.691 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.826 -2.380 -18.089 1.00 1.00 C ATOM 1225 C LYS A 79 -7.018 -0.869 -18.235 1.00 1.00 C ATOM 1226 O LYS A 79 -6.697 -0.296 -19.276 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.934 -3.130 -18.860 1.00 1.00 C ATOM 1228 CG LYS A 79 -9.315 -2.846 -18.222 1.00 1.00 C ATOM 1229 CD LYS A 79 -10.398 -3.693 -18.904 1.00 1.00 C ATOM 1230 CE LYS A 79 -11.763 -3.418 -18.258 1.00 1.00 C ATOM 1231 NZ LYS A 79 -11.704 -3.748 -16.804 1.00 1.00 N ATOM 0 H LYS A 79 -7.583 -3.495 -16.489 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.846 -2.626 -18.497 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -7.936 -2.817 -19.904 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.734 -4.201 -18.849 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -9.284 -3.071 -17.156 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.557 -1.788 -18.317 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -10.437 -3.461 -19.968 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -10.152 -4.751 -18.817 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -12.036 -2.371 -18.393 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -12.534 -4.014 -18.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -12.668 -3.891 -16.441 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -11.150 -4.617 -16.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -11.253 -2.965 -16.288 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.562 -0.227 -17.197 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.810 1.224 -17.239 1.00 1.00 C ATOM 1247 C LYS A 80 -6.541 2.015 -16.921 1.00 1.00 C ATOM 1248 O LYS A 80 -6.481 3.219 -17.168 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.926 1.590 -16.246 1.00 1.00 C ATOM 1250 CG LYS A 80 -10.231 0.885 -16.650 1.00 1.00 C ATOM 1251 CD LYS A 80 -11.355 1.265 -15.679 1.00 1.00 C ATOM 1252 CE LYS A 80 -12.648 0.545 -16.077 1.00 1.00 C ATOM 1253 NZ LYS A 80 -13.033 0.949 -17.460 1.00 1.00 N ATOM 0 H LYS A 80 -7.838 -0.679 -16.325 1.00 1.00 H new ATOM 0 HA LYS A 80 -8.123 1.487 -18.249 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.639 1.295 -15.237 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.074 2.670 -16.232 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -10.507 1.167 -17.666 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -10.086 -0.195 -16.647 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -11.076 0.995 -14.661 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -11.510 2.344 -15.691 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -12.506 -0.535 -16.028 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -13.446 0.794 -15.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -14.043 0.751 -17.611 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.857 1.966 -17.586 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -12.468 0.412 -18.149 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.521 1.334 -16.386 1.00 1.00 N ATOM 1268 CA GLY A 81 -4.250 1.992 -16.053 1.00 1.00 C ATOM 1269 C GLY A 81 -4.358 2.782 -14.761 1.00 1.00 C ATOM 1270 O GLY A 81 -3.684 3.800 -14.593 1.00 1.00 O ATOM 0 H GLY A 81 -5.549 0.336 -16.175 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.464 1.243 -15.959 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.959 2.658 -16.865 1.00 1.00 H new ATOM 1274 N THR A 82 -5.209 2.323 -13.835 1.00 1.00 N ATOM 1275 CA THR A 82 -5.376 3.031 -12.565 1.00 1.00 C ATOM 1276 C THR A 82 -4.206 2.685 -11.616 1.00 1.00 C ATOM 1277 O THR A 82 -3.984 1.510 -11.341 1.00 1.00 O ATOM 1278 CB THR A 82 -6.702 2.643 -11.890 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.762 2.953 -12.779 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.885 3.445 -10.579 1.00 1.00 C ATOM 0 H THR A 82 -5.780 1.484 -13.939 1.00 1.00 H new ATOM 0 HA THR A 82 -5.386 4.101 -12.771 1.00 1.00 H new ATOM 0 HB THR A 82 -6.698 1.579 -11.654 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.617 2.711 -12.366 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.827 3.163 -10.108 1.00 1.00 H new ATOM 0 HG22 THR A 82 -6.061 3.226 -9.900 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.897 4.512 -10.804 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.478 3.656 -11.079 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.360 3.363 -10.122 1.00 1.00 C ATOM 1290 C PRO A 83 -2.792 2.430 -8.978 1.00 1.00 C ATOM 1291 O PRO A 83 -3.791 2.678 -8.305 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.986 4.769 -9.569 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.399 5.736 -10.638 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.615 5.108 -11.329 1.00 1.00 C ATOM 0 HA PRO A 83 -1.533 2.845 -10.608 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.504 4.974 -8.632 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.918 4.840 -9.365 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.651 6.706 -10.210 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.589 5.902 -11.348 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.548 5.495 -10.918 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.621 5.328 -12.397 1.00 1.00 H new ATOM 1302 N GLY A 84 -2.017 1.362 -8.763 1.00 1.00 N ATOM 1303 CA GLY A 84 -2.313 0.398 -7.696 1.00 1.00 C ATOM 1304 C GLY A 84 -1.040 -0.279 -7.200 1.00 1.00 C ATOM 1305 O GLY A 84 -0.246 -0.785 -7.991 1.00 1.00 O ATOM 0 H GLY A 84 -1.184 1.143 -9.310 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -2.804 0.908 -6.867 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.009 -0.355 -8.065 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.859 -0.289 -5.879 1.00 1.00 N ATOM 1310 CA ILE A 85 0.315 -0.911 -5.274 1.00 1.00 C ATOM 1311 C ILE A 85 0.379 -2.400 -5.635 1.00 1.00 C ATOM 1312 O ILE A 85 1.459 -2.984 -5.648 1.00 1.00 O ATOM 1313 CB ILE A 85 0.261 -0.723 -3.733 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.358 0.789 -3.378 1.00 1.00 C ATOM 1315 CG2 ILE A 85 1.416 -1.519 -3.044 1.00 1.00 C ATOM 1316 CD1 ILE A 85 0.016 1.005 -1.893 1.00 1.00 C ATOM 0 H ILE A 85 -1.509 0.125 -5.211 1.00 1.00 H new ATOM 0 HA ILE A 85 1.215 -0.432 -5.660 1.00 1.00 H new ATOM 0 HB ILE A 85 -0.689 -1.111 -3.366 1.00 1.00 H new ATOM 0 HG12 ILE A 85 1.363 1.156 -3.585 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.326 1.362 -4.004 1.00 1.00 H new ATOM 0 HG21 ILE A 85 1.363 -1.376 -1.965 1.00 1.00 H new ATOM 0 HG22 ILE A 85 1.315 -2.579 -3.275 1.00 1.00 H new ATOM 0 HG23 ILE A 85 2.377 -1.157 -3.411 1.00 1.00 H new ATOM 0 HD11 ILE A 85 0.087 2.066 -1.654 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -0.998 0.656 -1.699 1.00 1.00 H new ATOM 0 HD13 ILE A 85 0.717 0.446 -1.273 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.781 -3.006 -5.931 1.00 1.00 N ATOM 1329 CA GLY A 86 -0.845 -4.439 -6.299 1.00 1.00 C ATOM 1330 C GLY A 86 -1.281 -5.294 -5.114 1.00 1.00 C ATOM 1331 O GLY A 86 -0.669 -6.317 -4.811 1.00 1.00 O ATOM 0 H GLY A 86 -1.685 -2.534 -5.924 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -1.543 -4.574 -7.125 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.132 -4.771 -6.650 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.331 -4.848 -4.434 1.00 1.00 N ATOM 1336 CA ILE A 87 -2.865 -5.544 -3.251 1.00 1.00 C ATOM 1337 C ILE A 87 -4.376 -5.361 -3.187 1.00 1.00 C ATOM 1338 O ILE A 87 -4.938 -4.497 -3.859 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.176 -5.000 -1.943 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -1.803 -3.504 -2.117 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.900 -5.802 -1.622 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -3.040 -2.643 -2.430 1.00 1.00 C ATOM 0 H ILE A 87 -2.840 -3.999 -4.679 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.647 -6.609 -3.329 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.883 -5.110 -1.121 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.326 -3.139 -1.207 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -1.075 -3.401 -2.922 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.441 -5.408 -0.715 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -1.157 -6.851 -1.473 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.197 -5.715 -2.451 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.739 -1.602 -2.545 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -3.502 -2.991 -3.354 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.757 -2.725 -1.613 1.00 1.00 H new ATOM 1354 N THR A 88 -5.019 -6.187 -2.356 1.00 1.00 N ATOM 1355 CA THR A 88 -6.484 -6.132 -2.154 1.00 1.00 C ATOM 1356 C THR A 88 -6.820 -6.062 -0.659 1.00 1.00 C ATOM 1357 O THR A 88 -6.451 -6.944 0.118 1.00 1.00 O ATOM 1358 CB THR A 88 -7.146 -7.367 -2.788 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.099 -7.226 -4.202 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.621 -7.515 -2.322 1.00 1.00 C ATOM 0 H THR A 88 -4.552 -6.908 -1.806 1.00 1.00 H new ATOM 0 HA THR A 88 -6.869 -5.233 -2.636 1.00 1.00 H new ATOM 0 HB THR A 88 -6.608 -8.262 -2.475 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.516 -8.007 -4.623 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.063 -8.397 -2.787 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.651 -7.623 -1.238 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.186 -6.630 -2.614 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.538 -4.997 -0.273 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.946 -4.763 1.103 1.00 1.00 C ATOM 1370 C LEU A 89 -9.391 -5.195 1.291 1.00 1.00 C ATOM 1371 O LEU A 89 -10.243 -4.969 0.428 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.799 -3.258 1.433 1.00 1.00 C ATOM 1373 CG LEU A 89 -6.415 -2.713 0.945 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -5.248 -3.612 1.455 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -6.363 -2.571 -0.624 1.00 1.00 C ATOM 0 H LEU A 89 -7.850 -4.273 -0.920 1.00 1.00 H new ATOM 0 HA LEU A 89 -7.313 -5.343 1.774 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -8.604 -2.697 0.958 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.896 -3.106 2.508 1.00 1.00 H new ATOM 0 HG LEU A 89 -6.293 -1.717 1.370 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -4.298 -3.211 1.101 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -5.252 -3.629 2.545 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -5.377 -4.626 1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -5.386 -2.190 -0.923 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -6.528 -3.546 -1.083 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -7.138 -1.879 -0.953 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.641 -5.823 2.429 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.960 -6.335 2.803 1.00 1.00 C ATOM 1389 C VAL A 90 -11.547 -5.465 3.891 1.00 1.00 C ATOM 1390 O VAL A 90 -10.913 -4.508 4.334 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.868 -7.810 3.260 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -10.624 -8.717 2.038 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -9.714 -7.980 4.271 1.00 1.00 C ATOM 0 H VAL A 90 -8.925 -5.997 3.134 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.616 -6.303 1.933 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.805 -8.092 3.740 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.560 -9.755 2.363 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -11.448 -8.608 1.333 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -9.691 -8.430 1.552 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.657 -9.022 4.587 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.774 -7.692 3.802 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -9.895 -7.347 5.140 1.00 1.00 H new