USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-6.1!) USER MOD Set 2.1: A 43 THR OG1 : rot -69:sc= 1.22 USER MOD Set 2.2: A 44 HIS : no HD1:sc= -0.507 X(o=0.72,f=1.1) USER MOD Set 2.3: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 10 GLN : amide:sc= 0.919 K(o=0.52,f=-4.3!) USER MOD Set 3.2: A 86 HIS : no HE2:sc= -0.4 K(o=0.52,f=-8.8!) USER MOD Single : A 9 MET CE :methyl 170:sc= 0 (180deg=-0.152) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 100:sc= 1.25 USER MOD Single : A 19 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0.057) USER MOD Single : A 22 MET CE :methyl -120:sc=-0.00343 (180deg=-0.264) USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0839 (180deg=-0.608) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= 0.0158 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=0.000302 USER MOD Single : A 53 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.22) USER MOD Single : A 56 ASN : amide:sc=-0.00329 X(o=-0.0033,f=-0.32) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.0428 F(o=-0.55,f=-0.043) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 178:sc= -0.697 (180deg=-0.734) USER MOD Single : A 91 GLN : amide:sc= 0.904 K(o=0.9,f=-5.4!) USER MOD Single : A 92 THR OG1 : rot -68:sc= 0.956 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.033 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0203 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.562 28.901 32.680 1.00 1.00 N ATOM 77 CA VAL A 6 6.848 28.525 31.473 1.00 1.00 C ATOM 78 C VAL A 6 5.661 27.696 31.936 1.00 1.00 C ATOM 79 O VAL A 6 5.757 26.969 32.924 1.00 1.00 O ATOM 80 CB VAL A 6 7.700 27.737 30.475 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.905 28.608 30.070 1.00 1.00 C ATOM 82 CG2 VAL A 6 8.191 26.386 31.038 1.00 1.00 C ATOM 0 HA VAL A 6 6.548 29.422 30.931 1.00 1.00 H new ATOM 0 HB VAL A 6 7.078 27.502 29.611 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.525 28.063 29.358 1.00 1.00 H new ATOM 0 HG12 VAL A 6 8.549 29.530 29.610 1.00 1.00 H new ATOM 0 HG13 VAL A 6 9.494 28.848 30.955 1.00 1.00 H new ATOM 0 HG21 VAL A 6 8.789 25.874 30.285 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.798 26.561 31.926 1.00 1.00 H new ATOM 0 HG23 VAL A 6 7.333 25.768 31.301 1.00 1.00 H new ATOM 92 N ILE A 7 4.493 27.783 31.276 1.00 1.00 N ATOM 93 CA ILE A 7 3.315 27.013 31.654 1.00 1.00 C ATOM 94 C ILE A 7 3.161 25.879 30.664 1.00 1.00 C ATOM 95 O ILE A 7 2.839 26.113 29.503 1.00 1.00 O ATOM 96 CB ILE A 7 2.029 27.840 31.668 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.204 29.095 32.556 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.858 26.957 32.168 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.969 30.002 32.573 1.00 1.00 C ATOM 0 H ILE A 7 4.348 28.390 30.469 1.00 1.00 H new ATOM 0 HA ILE A 7 3.466 26.653 32.672 1.00 1.00 H new ATOM 0 HB ILE A 7 1.803 28.181 30.658 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.430 28.782 33.575 1.00 1.00 H new ATOM 0 HG13 ILE A 7 3.061 29.667 32.200 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.061 27.543 32.179 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.736 26.103 31.501 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.074 26.602 33.176 1.00 1.00 H new ATOM 0 HD11 ILE A 7 1.159 30.863 33.214 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.755 30.344 31.560 1.00 1.00 H new ATOM 0 HD13 ILE A 7 0.114 29.445 32.957 1.00 1.00 H new ATOM 111 N GLU A 8 3.387 24.620 31.099 1.00 1.00 N ATOM 112 CA GLU A 8 3.349 23.458 30.223 1.00 1.00 C ATOM 113 C GLU A 8 2.235 22.498 30.606 1.00 1.00 C ATOM 114 O GLU A 8 2.137 22.044 31.747 1.00 1.00 O ATOM 115 CB GLU A 8 4.701 22.695 30.213 1.00 1.00 C ATOM 116 CG GLU A 8 4.752 21.511 29.209 1.00 1.00 C ATOM 117 CD GLU A 8 6.131 20.888 29.121 1.00 1.00 C ATOM 118 OE1 GLU A 8 6.581 20.265 30.115 1.00 1.00 O ATOM 119 OE2 GLU A 8 6.780 20.986 28.043 1.00 1.00 O ATOM 0 H GLU A 8 3.600 24.395 32.071 1.00 1.00 H new ATOM 0 HA GLU A 8 3.155 23.842 29.221 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.500 23.396 29.973 1.00 1.00 H new ATOM 0 HB3 GLU A 8 4.900 22.316 31.216 1.00 1.00 H new ATOM 0 HG2 GLU A 8 4.031 20.751 29.511 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.451 21.862 28.222 1.00 1.00 H new ATOM 126 N MET A 9 1.357 22.167 29.640 1.00 1.00 N ATOM 127 CA MET A 9 0.241 21.256 29.832 1.00 1.00 C ATOM 128 C MET A 9 -0.186 20.693 28.483 1.00 1.00 C ATOM 129 O MET A 9 -0.115 21.384 27.472 1.00 1.00 O ATOM 130 CB MET A 9 -0.959 21.987 30.496 1.00 1.00 C ATOM 131 CG MET A 9 -1.280 23.354 29.847 1.00 1.00 C ATOM 132 SD MET A 9 -2.804 24.165 30.411 1.00 1.00 S ATOM 133 CE MET A 9 -2.385 24.391 32.158 1.00 1.00 C ATOM 0 H MET A 9 1.415 22.538 28.692 1.00 1.00 H new ATOM 0 HA MET A 9 0.558 20.446 30.489 1.00 1.00 H new ATOM 0 HB2 MET A 9 -1.841 21.349 30.438 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.744 22.137 31.554 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.443 24.027 30.033 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.344 23.215 28.768 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.129 25.033 32.630 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.372 23.422 32.657 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.402 24.854 32.239 1.00 1.00 H new ATOM 143 N GLN A 10 -0.644 19.421 28.408 1.00 1.00 N ATOM 144 CA GLN A 10 -1.250 18.830 27.209 1.00 1.00 C ATOM 145 C GLN A 10 -0.336 18.814 25.969 1.00 1.00 C ATOM 146 O GLN A 10 -0.774 18.854 24.822 1.00 1.00 O ATOM 147 CB GLN A 10 -2.636 19.502 26.946 1.00 1.00 C ATOM 148 CG GLN A 10 -3.771 18.614 26.365 1.00 1.00 C ATOM 149 CD GLN A 10 -3.751 18.467 24.840 1.00 1.00 C ATOM 150 OE1 GLN A 10 -3.732 19.451 24.095 1.00 1.00 O ATOM 151 NE2 GLN A 10 -3.806 17.212 24.347 1.00 1.00 N ATOM 0 H GLN A 10 -0.598 18.774 29.195 1.00 1.00 H new ATOM 0 HA GLN A 10 -1.404 17.770 27.410 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.988 19.923 27.888 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.480 20.336 26.262 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -3.704 17.623 26.813 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -4.731 19.034 26.663 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -3.821 16.415 24.983 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -3.833 17.061 23.339 1.00 1.00 H new ATOM 160 N GLY A 11 1.001 18.764 26.165 1.00 1.00 N ATOM 161 CA GLY A 11 1.975 18.864 25.073 1.00 1.00 C ATOM 162 C GLY A 11 2.217 20.270 24.559 1.00 1.00 C ATOM 163 O GLY A 11 2.921 20.466 23.570 1.00 1.00 O ATOM 0 H GLY A 11 1.427 18.653 27.085 1.00 1.00 H new ATOM 0 HA2 GLY A 11 2.924 18.449 25.413 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.634 18.244 24.244 1.00 1.00 H new ATOM 167 N LEU A 12 1.634 21.287 25.213 1.00 1.00 N ATOM 168 CA LEU A 12 1.689 22.683 24.830 1.00 1.00 C ATOM 169 C LEU A 12 2.388 23.460 25.935 1.00 1.00 C ATOM 170 O LEU A 12 2.148 23.223 27.118 1.00 1.00 O ATOM 171 CB LEU A 12 0.238 23.210 24.666 1.00 1.00 C ATOM 172 CG LEU A 12 0.082 24.620 24.059 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.449 24.643 22.568 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.355 25.131 24.253 1.00 1.00 C ATOM 0 H LEU A 12 1.089 21.138 26.062 1.00 1.00 H new ATOM 0 HA LEU A 12 2.232 22.803 23.893 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.312 22.507 24.041 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.239 23.206 25.646 1.00 1.00 H new ATOM 0 HG LEU A 12 0.774 25.279 24.584 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.326 25.654 22.179 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.486 24.330 22.444 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.204 23.962 22.022 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.449 26.127 23.819 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.052 24.453 23.760 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.585 25.176 25.318 1.00 1.00 H new ATOM 186 N SER A 13 3.296 24.396 25.599 1.00 1.00 N ATOM 187 CA SER A 13 4.037 25.158 26.594 1.00 1.00 C ATOM 188 C SER A 13 4.119 26.624 26.217 1.00 1.00 C ATOM 189 O SER A 13 4.419 26.980 25.082 1.00 1.00 O ATOM 190 CB SER A 13 5.456 24.585 26.839 1.00 1.00 C ATOM 191 OG SER A 13 6.135 25.241 27.918 1.00 1.00 O ATOM 0 H SER A 13 3.528 24.636 24.635 1.00 1.00 H new ATOM 0 HA SER A 13 3.481 25.069 27.527 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.381 23.519 27.056 1.00 1.00 H new ATOM 0 HB3 SER A 13 6.047 24.685 25.928 1.00 1.00 H new ATOM 0 HG SER A 13 7.023 24.844 28.035 1.00 1.00 H new ATOM 197 N LEU A 14 3.815 27.522 27.171 1.00 1.00 N ATOM 198 CA LEU A 14 3.735 28.956 26.957 1.00 1.00 C ATOM 199 C LEU A 14 4.650 29.688 27.925 1.00 1.00 C ATOM 200 O LEU A 14 4.629 29.446 29.128 1.00 1.00 O ATOM 201 CB LEU A 14 2.255 29.397 27.123 1.00 1.00 C ATOM 202 CG LEU A 14 1.925 30.905 27.033 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.492 31.109 26.525 1.00 1.00 C ATOM 204 CD2 LEU A 14 2.035 31.635 28.379 1.00 1.00 C ATOM 0 H LEU A 14 3.615 27.251 28.134 1.00 1.00 H new ATOM 0 HA LEU A 14 4.069 29.207 25.950 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.667 28.882 26.363 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.908 29.038 28.092 1.00 1.00 H new ATOM 0 HG LEU A 14 2.662 31.322 26.347 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.275 32.176 26.467 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.390 30.664 25.535 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.208 30.633 27.211 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.790 32.688 28.243 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.341 31.190 29.092 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.052 31.545 28.760 1.00 1.00 H new ATOM 216 N ASP A 15 5.477 30.626 27.428 1.00 1.00 N ATOM 217 CA ASP A 15 6.362 31.448 28.236 1.00 1.00 C ATOM 218 C ASP A 15 5.804 32.878 28.232 1.00 1.00 C ATOM 219 O ASP A 15 5.817 33.526 27.178 1.00 1.00 O ATOM 220 CB ASP A 15 7.796 31.353 27.635 1.00 1.00 C ATOM 221 CG ASP A 15 8.853 32.266 28.232 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.543 33.113 29.105 1.00 1.00 O ATOM 223 OD2 ASP A 15 10.030 32.172 27.789 1.00 1.00 O ATOM 0 H ASP A 15 5.541 30.829 26.430 1.00 1.00 H new ATOM 0 HA ASP A 15 6.419 31.114 29.272 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.139 30.324 27.738 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.731 31.562 26.567 1.00 1.00 H new ATOM 228 N PRO A 16 5.307 33.433 29.347 1.00 1.00 N ATOM 229 CA PRO A 16 4.776 34.793 29.382 1.00 1.00 C ATOM 230 C PRO A 16 5.827 35.860 29.165 1.00 1.00 C ATOM 231 O PRO A 16 5.497 36.906 28.608 1.00 1.00 O ATOM 232 CB PRO A 16 4.145 34.918 30.779 1.00 1.00 C ATOM 233 CG PRO A 16 3.790 33.481 31.152 1.00 1.00 C ATOM 234 CD PRO A 16 4.964 32.697 30.570 1.00 1.00 C ATOM 0 HA PRO A 16 4.066 34.952 28.570 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.841 35.356 31.494 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.262 35.556 30.763 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.707 33.349 32.231 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.839 33.171 30.719 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.804 32.661 31.264 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.687 31.666 30.351 1.00 1.00 H new ATOM 242 N THR A 17 7.078 35.627 29.614 1.00 1.00 N ATOM 243 CA THR A 17 8.185 36.583 29.543 1.00 1.00 C ATOM 244 C THR A 17 8.622 36.812 28.115 1.00 1.00 C ATOM 245 O THR A 17 8.877 37.941 27.692 1.00 1.00 O ATOM 246 CB THR A 17 9.417 36.157 30.346 1.00 1.00 C ATOM 247 OG1 THR A 17 9.071 35.933 31.710 1.00 1.00 O ATOM 248 CG2 THR A 17 10.506 37.243 30.339 1.00 1.00 C ATOM 0 H THR A 17 7.345 34.743 30.046 1.00 1.00 H new ATOM 0 HA THR A 17 7.788 37.499 29.980 1.00 1.00 H new ATOM 0 HB THR A 17 9.790 35.248 29.875 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.869 35.660 32.209 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.363 36.902 30.920 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.817 37.439 29.313 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.110 38.158 30.779 1.00 1.00 H new ATOM 256 N SER A 18 8.696 35.725 27.321 1.00 1.00 N ATOM 257 CA SER A 18 9.166 35.773 25.938 1.00 1.00 C ATOM 258 C SER A 18 8.028 35.863 24.953 1.00 1.00 C ATOM 259 O SER A 18 8.237 35.982 23.746 1.00 1.00 O ATOM 260 CB SER A 18 9.954 34.501 25.536 1.00 1.00 C ATOM 261 OG SER A 18 11.014 34.255 26.455 1.00 1.00 O ATOM 0 H SER A 18 8.429 34.790 27.630 1.00 1.00 H new ATOM 0 HA SER A 18 9.800 36.659 25.901 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.282 33.643 25.510 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.358 34.620 24.531 1.00 1.00 H new ATOM 0 HG SER A 18 10.743 33.558 27.088 1.00 1.00 H new ATOM 267 N HIS A 19 6.775 35.796 25.450 1.00 1.00 N ATOM 268 CA HIS A 19 5.552 35.852 24.663 1.00 1.00 C ATOM 269 C HIS A 19 5.425 34.714 23.654 1.00 1.00 C ATOM 270 O HIS A 19 4.866 34.878 22.573 1.00 1.00 O ATOM 271 CB HIS A 19 5.356 37.228 23.970 1.00 1.00 C ATOM 272 CG HIS A 19 5.691 38.387 24.876 1.00 1.00 C ATOM 273 ND1 HIS A 19 6.449 39.446 24.460 1.00 1.00 N ATOM 274 CD2 HIS A 19 5.355 38.630 26.165 1.00 1.00 C ATOM 275 CE1 HIS A 19 6.573 40.309 25.456 1.00 1.00 C ATOM 276 NE2 HIS A 19 5.922 39.830 26.504 1.00 1.00 N ATOM 0 H HIS A 19 6.594 35.698 26.449 1.00 1.00 H new ATOM 0 HA HIS A 19 4.747 35.722 25.386 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.983 37.275 23.080 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.322 37.319 23.637 1.00 1.00 H new ATOM 0 HD2 HIS A 19 4.755 37.999 26.804 1.00 1.00 H new ATOM 0 HE1 HIS A 19 7.113 41.244 25.420 1.00 1.00 H new ATOM 0 HE2 HIS A 19 5.854 40.281 27.416 1.00 1.00 H new ATOM 285 N ARG A 20 5.978 33.527 23.976 1.00 1.00 N ATOM 286 CA ARG A 20 6.208 32.473 23.013 1.00 1.00 C ATOM 287 C ARG A 20 5.513 31.176 23.381 1.00 1.00 C ATOM 288 O ARG A 20 5.536 30.740 24.534 1.00 1.00 O ATOM 289 CB ARG A 20 7.730 32.247 22.903 1.00 1.00 C ATOM 290 CG ARG A 20 8.153 31.343 21.736 1.00 1.00 C ATOM 291 CD ARG A 20 9.639 31.497 21.424 1.00 1.00 C ATOM 292 NE ARG A 20 9.918 30.720 20.171 1.00 1.00 N ATOM 293 CZ ARG A 20 10.862 29.777 20.055 1.00 1.00 C ATOM 294 NH1 ARG A 20 11.428 29.191 21.103 1.00 1.00 N ATOM 295 NH2 ARG A 20 11.259 29.384 18.844 1.00 1.00 N ATOM 0 H ARG A 20 6.274 33.288 24.923 1.00 1.00 H new ATOM 0 HA ARG A 20 5.786 32.784 22.057 1.00 1.00 H new ATOM 0 HB2 ARG A 20 8.222 33.214 22.795 1.00 1.00 H new ATOM 0 HB3 ARG A 20 8.089 31.809 23.835 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.937 30.303 21.982 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.566 31.590 20.851 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.896 32.548 21.289 1.00 1.00 H new ATOM 0 HD3 ARG A 20 10.245 31.124 22.250 1.00 1.00 H new ATOM 0 HE ARG A 20 9.349 30.924 19.350 1.00 1.00 H new ATOM 0 HH11 ARG A 20 11.148 29.454 22.048 1.00 1.00 H new ATOM 0 HH12 ARG A 20 12.143 28.477 20.964 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.844 29.801 18.011 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.978 28.666 18.751 1.00 1.00 H new ATOM 309 N VAL A 21 4.873 30.527 22.388 1.00 1.00 N ATOM 310 CA VAL A 21 4.123 29.294 22.566 1.00 1.00 C ATOM 311 C VAL A 21 4.770 28.185 21.750 1.00 1.00 C ATOM 312 O VAL A 21 5.010 28.316 20.549 1.00 1.00 O ATOM 313 CB VAL A 21 2.661 29.433 22.147 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.880 28.134 22.442 1.00 1.00 C ATOM 315 CG2 VAL A 21 2.024 30.602 22.920 1.00 1.00 C ATOM 0 H VAL A 21 4.871 30.862 21.425 1.00 1.00 H new ATOM 0 HA VAL A 21 4.142 29.055 23.629 1.00 1.00 H new ATOM 0 HB VAL A 21 2.619 29.625 21.075 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.841 28.256 22.135 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.327 27.307 21.889 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.920 27.920 23.510 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.980 30.707 22.626 1.00 1.00 H new ATOM 0 HG22 VAL A 21 2.081 30.404 23.990 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.560 31.524 22.692 1.00 1.00 H new ATOM 325 N MET A 22 5.054 27.048 22.405 1.00 1.00 N ATOM 326 CA MET A 22 5.642 25.862 21.827 1.00 1.00 C ATOM 327 C MET A 22 4.626 24.737 21.893 1.00 1.00 C ATOM 328 O MET A 22 3.978 24.523 22.915 1.00 1.00 O ATOM 329 CB MET A 22 6.887 25.409 22.634 1.00 1.00 C ATOM 330 CG MET A 22 8.079 26.386 22.581 1.00 1.00 C ATOM 331 SD MET A 22 8.948 26.450 20.985 1.00 1.00 S ATOM 332 CE MET A 22 9.796 24.848 21.107 1.00 1.00 C ATOM 0 H MET A 22 4.864 26.941 23.402 1.00 1.00 H new ATOM 0 HA MET A 22 5.934 26.088 20.801 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.597 25.267 23.675 1.00 1.00 H new ATOM 0 HB3 MET A 22 7.213 24.439 22.259 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.721 27.387 22.823 1.00 1.00 H new ATOM 0 HG3 MET A 22 8.793 26.107 23.356 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.874 25.003 21.065 1.00 1.00 H new ATOM 0 HE2 MET A 22 9.535 24.369 22.051 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.489 24.210 20.279 1.00 1.00 H new ATOM 342 N ALA A 23 4.462 23.973 20.802 1.00 1.00 N ATOM 343 CA ALA A 23 3.638 22.785 20.771 1.00 1.00 C ATOM 344 C ALA A 23 4.537 21.615 20.424 1.00 1.00 C ATOM 345 O ALA A 23 5.089 21.521 19.326 1.00 1.00 O ATOM 346 CB ALA A 23 2.519 22.930 19.724 1.00 1.00 C ATOM 0 H ALA A 23 4.911 24.178 19.910 1.00 1.00 H new ATOM 0 HA ALA A 23 3.163 22.628 21.739 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.910 22.026 19.715 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.894 23.787 19.976 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.960 23.080 18.738 1.00 1.00 H new ATOM 352 N GLY A 24 4.746 20.687 21.378 1.00 1.00 N ATOM 353 CA GLY A 24 5.787 19.670 21.286 1.00 1.00 C ATOM 354 C GLY A 24 7.181 20.248 21.176 1.00 1.00 C ATOM 355 O GLY A 24 7.692 20.843 22.125 1.00 1.00 O ATOM 0 H GLY A 24 4.191 20.630 22.232 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.736 19.027 22.165 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.593 19.039 20.418 1.00 1.00 H new ATOM 359 N GLU A 25 7.824 20.094 20.003 1.00 1.00 N ATOM 360 CA GLU A 25 9.122 20.681 19.707 1.00 1.00 C ATOM 361 C GLU A 25 9.025 21.858 18.734 1.00 1.00 C ATOM 362 O GLU A 25 10.041 22.374 18.260 1.00 1.00 O ATOM 363 CB GLU A 25 10.100 19.604 19.152 1.00 1.00 C ATOM 364 CG GLU A 25 9.796 19.075 17.728 1.00 1.00 C ATOM 365 CD GLU A 25 10.700 17.918 17.333 1.00 1.00 C ATOM 366 OE1 GLU A 25 11.900 18.152 17.014 1.00 1.00 O ATOM 367 OE2 GLU A 25 10.212 16.756 17.302 1.00 1.00 O ATOM 0 H GLU A 25 7.441 19.548 19.231 1.00 1.00 H new ATOM 0 HA GLU A 25 9.512 21.070 20.648 1.00 1.00 H new ATOM 0 HB2 GLU A 25 11.107 20.021 19.155 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.104 18.758 19.839 1.00 1.00 H new ATOM 0 HG2 GLU A 25 8.756 18.753 17.678 1.00 1.00 H new ATOM 0 HG3 GLU A 25 9.914 19.886 17.009 1.00 1.00 H new ATOM 374 N GLU A 26 7.799 22.331 18.420 1.00 1.00 N ATOM 375 CA GLU A 26 7.549 23.290 17.356 1.00 1.00 C ATOM 376 C GLU A 26 7.046 24.629 17.895 1.00 1.00 C ATOM 377 O GLU A 26 6.075 24.626 18.653 1.00 1.00 O ATOM 378 CB GLU A 26 6.455 22.755 16.395 1.00 1.00 C ATOM 379 CG GLU A 26 6.707 21.310 15.906 1.00 1.00 C ATOM 380 CD GLU A 26 5.725 20.924 14.821 1.00 1.00 C ATOM 381 OE1 GLU A 26 5.974 21.295 13.644 1.00 1.00 O ATOM 382 OE2 GLU A 26 4.720 20.220 15.115 1.00 1.00 O ATOM 0 H GLU A 26 6.953 22.045 18.913 1.00 1.00 H new ATOM 0 HA GLU A 26 8.500 23.432 16.843 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.490 22.795 16.900 1.00 1.00 H new ATOM 0 HB3 GLU A 26 6.390 23.415 15.530 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.725 21.223 15.527 1.00 1.00 H new ATOM 0 HG3 GLU A 26 6.619 20.618 16.744 1.00 1.00 H new ATOM 389 N PRO A 27 7.594 25.798 17.568 1.00 1.00 N ATOM 390 CA PRO A 27 6.979 27.072 17.930 1.00 1.00 C ATOM 391 C PRO A 27 5.774 27.381 17.057 1.00 1.00 C ATOM 392 O PRO A 27 5.813 27.153 15.844 1.00 1.00 O ATOM 393 CB PRO A 27 8.105 28.097 17.714 1.00 1.00 C ATOM 394 CG PRO A 27 8.999 27.468 16.642 1.00 1.00 C ATOM 395 CD PRO A 27 8.906 25.971 16.942 1.00 1.00 C ATOM 0 HA PRO A 27 6.597 27.075 18.951 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.709 29.058 17.386 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.658 28.278 18.635 1.00 1.00 H new ATOM 0 HG2 PRO A 27 8.646 27.700 15.637 1.00 1.00 H new ATOM 0 HG3 PRO A 27 10.025 27.829 16.711 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.991 25.379 16.031 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.708 25.650 17.607 1.00 1.00 H new ATOM 403 N LEU A 28 4.693 27.919 17.652 1.00 1.00 N ATOM 404 CA LEU A 28 3.480 28.280 16.940 1.00 1.00 C ATOM 405 C LEU A 28 3.199 29.758 17.128 1.00 1.00 C ATOM 406 O LEU A 28 3.643 30.386 18.088 1.00 1.00 O ATOM 407 CB LEU A 28 2.239 27.480 17.401 1.00 1.00 C ATOM 408 CG LEU A 28 2.320 25.955 17.178 1.00 1.00 C ATOM 409 CD1 LEU A 28 1.014 25.316 17.657 1.00 1.00 C ATOM 410 CD2 LEU A 28 2.567 25.541 15.719 1.00 1.00 C ATOM 0 H LEU A 28 4.650 28.112 18.653 1.00 1.00 H new ATOM 0 HA LEU A 28 3.655 28.040 15.891 1.00 1.00 H new ATOM 0 HB2 LEU A 28 2.079 27.668 18.463 1.00 1.00 H new ATOM 0 HB3 LEU A 28 1.364 27.862 16.875 1.00 1.00 H new ATOM 0 HG LEU A 28 3.182 25.606 17.747 1.00 1.00 H new ATOM 0 HD11 LEU A 28 1.059 24.238 17.504 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.873 25.527 18.717 1.00 1.00 H new ATOM 0 HD13 LEU A 28 0.178 25.728 17.091 1.00 1.00 H new ATOM 0 HD21 LEU A 28 2.610 24.454 15.652 1.00 1.00 H new ATOM 0 HD22 LEU A 28 1.755 25.912 15.093 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.511 25.963 15.376 1.00 1.00 H new ATOM 422 N GLU A 29 2.459 30.362 16.183 1.00 1.00 N ATOM 423 CA GLU A 29 2.259 31.797 16.127 1.00 1.00 C ATOM 424 C GLU A 29 0.803 32.199 16.312 1.00 1.00 C ATOM 425 O GLU A 29 -0.130 31.536 15.850 1.00 1.00 O ATOM 426 CB GLU A 29 2.760 32.373 14.778 1.00 1.00 C ATOM 427 CG GLU A 29 2.195 31.642 13.534 1.00 1.00 C ATOM 428 CD GLU A 29 2.047 32.578 12.357 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.072 33.046 11.802 1.00 1.00 O ATOM 430 OE2 GLU A 29 0.883 32.877 11.977 1.00 1.00 O ATOM 0 H GLU A 29 1.985 29.853 15.437 1.00 1.00 H new ATOM 0 HA GLU A 29 2.836 32.209 16.954 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.489 33.427 14.722 1.00 1.00 H new ATOM 0 HB3 GLU A 29 3.849 32.322 14.754 1.00 1.00 H new ATOM 0 HG2 GLU A 29 2.856 30.819 13.264 1.00 1.00 H new ATOM 0 HG3 GLU A 29 1.226 31.206 13.777 1.00 1.00 H new ATOM 437 N MET A 30 0.591 33.339 16.992 1.00 1.00 N ATOM 438 CA MET A 30 -0.698 33.967 17.181 1.00 1.00 C ATOM 439 C MET A 30 -0.453 35.430 17.498 1.00 1.00 C ATOM 440 O MET A 30 0.679 35.822 17.799 1.00 1.00 O ATOM 441 CB MET A 30 -1.564 33.311 18.294 1.00 1.00 C ATOM 442 CG MET A 30 -1.030 33.385 19.746 1.00 1.00 C ATOM 443 SD MET A 30 0.452 32.391 20.124 1.00 1.00 S ATOM 444 CE MET A 30 -0.268 30.747 19.826 1.00 1.00 C ATOM 0 H MET A 30 1.350 33.856 17.436 1.00 1.00 H new ATOM 0 HA MET A 30 -1.272 33.842 16.263 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.549 33.776 18.273 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.702 32.260 18.039 1.00 1.00 H new ATOM 0 HG2 MET A 30 -0.808 34.427 19.974 1.00 1.00 H new ATOM 0 HG3 MET A 30 -1.829 33.074 20.419 1.00 1.00 H new ATOM 0 HE1 MET A 30 0.345 29.988 20.312 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.279 30.713 20.233 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.302 30.554 18.754 1.00 1.00 H new ATOM 454 N GLY A 31 -1.487 36.292 17.399 1.00 1.00 N ATOM 455 CA GLY A 31 -1.404 37.695 17.787 1.00 1.00 C ATOM 456 C GLY A 31 -1.566 37.924 19.278 1.00 1.00 C ATOM 457 O GLY A 31 -1.883 36.997 20.028 1.00 1.00 O ATOM 0 H GLY A 31 -2.404 36.021 17.044 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.441 38.095 17.469 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.173 38.256 17.256 1.00 1.00 H new ATOM 461 N PRO A 32 -1.397 39.153 19.760 1.00 1.00 N ATOM 462 CA PRO A 32 -1.291 39.413 21.194 1.00 1.00 C ATOM 463 C PRO A 32 -2.621 39.290 21.917 1.00 1.00 C ATOM 464 O PRO A 32 -2.626 38.852 23.064 1.00 1.00 O ATOM 465 CB PRO A 32 -0.656 40.812 21.303 1.00 1.00 C ATOM 466 CG PRO A 32 -0.818 41.442 19.915 1.00 1.00 C ATOM 467 CD PRO A 32 -0.830 40.242 18.969 1.00 1.00 C ATOM 0 HA PRO A 32 -0.674 38.666 21.694 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -1.153 41.411 22.067 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.395 40.746 21.584 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.741 42.018 19.842 1.00 1.00 H new ATOM 0 HG3 PRO A 32 0.002 42.123 19.687 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.432 40.443 18.082 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.175 39.999 18.624 1.00 1.00 H new ATOM 475 N THR A 33 -3.772 39.629 21.294 1.00 1.00 N ATOM 476 CA THR A 33 -5.095 39.384 21.888 1.00 1.00 C ATOM 477 C THR A 33 -5.348 37.904 22.123 1.00 1.00 C ATOM 478 O THR A 33 -5.823 37.499 23.186 1.00 1.00 O ATOM 479 CB THR A 33 -6.262 39.963 21.084 1.00 1.00 C ATOM 480 OG1 THR A 33 -6.160 41.377 21.023 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.617 39.669 21.752 1.00 1.00 C ATOM 0 H THR A 33 -3.805 40.074 20.377 1.00 1.00 H new ATOM 0 HA THR A 33 -5.059 39.912 22.841 1.00 1.00 H new ATOM 0 HB THR A 33 -6.212 39.503 20.097 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.910 41.737 20.505 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.419 40.096 21.151 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.757 38.591 21.831 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.635 40.111 22.748 1.00 1.00 H new ATOM 489 N GLU A 34 -4.975 37.036 21.156 1.00 1.00 N ATOM 490 CA GLU A 34 -5.015 35.593 21.326 1.00 1.00 C ATOM 491 C GLU A 34 -4.062 35.108 22.416 1.00 1.00 C ATOM 492 O GLU A 34 -4.432 34.268 23.232 1.00 1.00 O ATOM 493 CB GLU A 34 -4.722 34.834 20.004 1.00 1.00 C ATOM 494 CG GLU A 34 -5.900 34.805 18.993 1.00 1.00 C ATOM 495 CD GLU A 34 -6.106 36.105 18.243 1.00 1.00 C ATOM 496 OE1 GLU A 34 -5.220 36.491 17.441 1.00 1.00 O ATOM 497 OE2 GLU A 34 -7.175 36.746 18.410 1.00 1.00 O ATOM 0 H GLU A 34 -4.639 37.332 20.239 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.035 35.367 21.635 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.859 35.294 19.522 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.444 33.808 20.245 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.726 34.006 18.272 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.817 34.558 19.528 1.00 1.00 H new ATOM 504 N PHE A 35 -2.828 35.651 22.489 1.00 1.00 N ATOM 505 CA PHE A 35 -1.864 35.332 23.535 1.00 1.00 C ATOM 506 C PHE A 35 -2.349 35.692 24.947 1.00 1.00 C ATOM 507 O PHE A 35 -2.269 34.878 25.868 1.00 1.00 O ATOM 508 CB PHE A 35 -0.506 36.029 23.229 1.00 1.00 C ATOM 509 CG PHE A 35 0.588 35.533 24.141 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.274 34.345 23.843 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.896 36.216 25.332 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.227 33.831 24.731 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.839 35.698 26.229 1.00 1.00 C ATOM 514 CZ PHE A 35 2.496 34.499 25.932 1.00 1.00 C ATOM 0 H PHE A 35 -2.481 36.329 21.811 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.738 34.249 23.529 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.227 35.845 22.191 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.615 37.107 23.343 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.065 33.823 22.921 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.400 37.149 25.557 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.754 32.920 24.490 1.00 1.00 H new ATOM 0 HE2 PHE A 35 2.058 36.223 27.147 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.211 34.088 26.629 1.00 1.00 H new ATOM 524 N LYS A 36 -2.920 36.899 25.154 1.00 1.00 N ATOM 525 CA LYS A 36 -3.487 37.302 26.436 1.00 1.00 C ATOM 526 C LYS A 36 -4.656 36.425 26.871 1.00 1.00 C ATOM 527 O LYS A 36 -4.764 36.031 28.034 1.00 1.00 O ATOM 528 CB LYS A 36 -3.979 38.771 26.418 1.00 1.00 C ATOM 529 CG LYS A 36 -2.862 39.822 26.336 1.00 1.00 C ATOM 530 CD LYS A 36 -3.401 41.265 26.240 1.00 1.00 C ATOM 531 CE LYS A 36 -4.159 41.758 27.483 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.553 43.170 27.317 1.00 1.00 N ATOM 0 H LYS A 36 -2.995 37.613 24.430 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.669 37.188 27.148 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -4.648 38.905 25.568 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.566 38.954 27.318 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -2.224 39.736 27.215 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.238 39.614 25.467 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.564 41.938 26.052 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -4.064 41.333 25.378 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -5.044 41.143 27.645 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -3.530 41.650 28.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -5.529 43.299 27.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.915 43.776 27.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -4.493 43.431 26.312 1.00 1.00 H new ATOM 546 N LEU A 37 -5.554 36.076 25.929 1.00 1.00 N ATOM 547 CA LEU A 37 -6.647 35.149 26.160 1.00 1.00 C ATOM 548 C LEU A 37 -6.166 33.740 26.505 1.00 1.00 C ATOM 549 O LEU A 37 -6.648 33.105 27.441 1.00 1.00 O ATOM 550 CB LEU A 37 -7.558 35.136 24.907 1.00 1.00 C ATOM 551 CG LEU A 37 -8.821 34.255 24.992 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.700 34.597 26.205 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.636 34.369 23.694 1.00 1.00 C ATOM 0 H LEU A 37 -5.528 36.443 24.978 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.209 35.491 27.029 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.868 36.160 24.698 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.965 34.803 24.056 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.485 33.226 25.123 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.575 33.947 26.215 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.128 34.451 27.121 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.021 35.636 26.140 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.525 33.743 23.766 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.934 35.406 23.542 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.027 34.039 22.852 1.00 1.00 H new ATOM 565 N LEU A 38 -5.145 33.238 25.785 1.00 1.00 N ATOM 566 CA LEU A 38 -4.500 31.965 26.051 1.00 1.00 C ATOM 567 C LEU A 38 -3.800 31.904 27.404 1.00 1.00 C ATOM 568 O LEU A 38 -3.933 30.925 28.134 1.00 1.00 O ATOM 569 CB LEU A 38 -3.520 31.613 24.906 1.00 1.00 C ATOM 570 CG LEU A 38 -2.906 30.196 24.956 1.00 1.00 C ATOM 571 CD1 LEU A 38 -3.963 29.082 25.037 1.00 1.00 C ATOM 572 CD2 LEU A 38 -1.998 29.972 23.737 1.00 1.00 C ATOM 0 H LEU A 38 -4.745 33.729 24.985 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.293 31.219 26.095 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.044 31.728 23.957 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.708 32.340 24.912 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.320 30.140 25.873 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.467 28.112 25.069 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.562 29.214 25.938 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.610 29.130 24.161 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.570 28.971 23.781 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.583 30.076 22.823 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.196 30.710 23.740 1.00 1.00 H new ATOM 584 N HIS A 39 -3.089 32.977 27.820 1.00 1.00 N ATOM 585 CA HIS A 39 -2.512 33.089 29.159 1.00 1.00 C ATOM 586 C HIS A 39 -3.566 33.021 30.259 1.00 1.00 C ATOM 587 O HIS A 39 -3.391 32.335 31.266 1.00 1.00 O ATOM 588 CB HIS A 39 -1.696 34.400 29.327 1.00 1.00 C ATOM 589 CG HIS A 39 -1.047 34.560 30.681 1.00 1.00 C ATOM 590 ND1 HIS A 39 -1.122 35.778 31.339 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.368 33.659 31.441 1.00 1.00 C ATOM 592 CE1 HIS A 39 -0.494 35.586 32.488 1.00 1.00 C ATOM 593 NE2 HIS A 39 -0.019 34.323 32.597 1.00 1.00 N ATOM 0 H HIS A 39 -2.905 33.786 27.227 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.847 32.231 29.261 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -0.922 34.433 28.560 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.356 35.250 29.151 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.147 32.632 31.190 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -0.375 36.345 33.247 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.499 33.936 33.386 1.00 1.00 H new ATOM 601 N PHE A 40 -4.720 33.693 30.069 1.00 1.00 N ATOM 602 CA PHE A 40 -5.855 33.603 30.973 1.00 1.00 C ATOM 603 C PHE A 40 -6.436 32.185 31.054 1.00 1.00 C ATOM 604 O PHE A 40 -6.670 31.654 32.138 1.00 1.00 O ATOM 605 CB PHE A 40 -6.944 34.631 30.552 1.00 1.00 C ATOM 606 CG PHE A 40 -8.081 34.658 31.537 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.876 35.144 32.837 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.334 34.120 31.197 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.901 35.083 33.787 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.363 34.061 32.147 1.00 1.00 C ATOM 611 CZ PHE A 40 -10.143 34.540 33.443 1.00 1.00 C ATOM 0 H PHE A 40 -4.878 34.314 29.275 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.499 33.843 31.975 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.500 35.624 30.478 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.324 34.377 29.562 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.920 35.568 33.106 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.505 33.750 30.197 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.733 35.455 34.787 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.324 33.647 31.879 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.933 34.490 34.178 1.00 1.00 H new ATOM 621 N PHE A 41 -6.638 31.512 29.905 1.00 1.00 N ATOM 622 CA PHE A 41 -7.074 30.126 29.865 1.00 1.00 C ATOM 623 C PHE A 41 -6.096 29.124 30.481 1.00 1.00 C ATOM 624 O PHE A 41 -6.493 28.252 31.249 1.00 1.00 O ATOM 625 CB PHE A 41 -7.392 29.701 28.407 1.00 1.00 C ATOM 626 CG PHE A 41 -8.741 30.180 27.922 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.910 30.048 28.700 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.863 30.675 26.613 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.160 30.417 28.188 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.114 31.034 26.093 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.262 30.912 26.883 1.00 1.00 C ATOM 0 H PHE A 41 -6.500 31.926 28.983 1.00 1.00 H new ATOM 0 HA PHE A 41 -7.969 30.096 30.486 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.618 30.090 27.746 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.354 28.614 28.337 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.840 29.657 29.704 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.981 30.780 25.999 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.045 30.320 28.800 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.192 31.405 25.082 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.225 31.199 26.487 1.00 1.00 H new ATOM 641 N MET A 42 -4.779 29.231 30.222 1.00 1.00 N ATOM 642 CA MET A 42 -3.787 28.310 30.767 1.00 1.00 C ATOM 643 C MET A 42 -3.494 28.540 32.246 1.00 1.00 C ATOM 644 O MET A 42 -2.970 27.665 32.937 1.00 1.00 O ATOM 645 CB MET A 42 -2.466 28.389 29.967 1.00 1.00 C ATOM 646 CG MET A 42 -2.609 27.850 28.528 1.00 1.00 C ATOM 647 SD MET A 42 -1.101 27.936 27.517 1.00 1.00 S ATOM 648 CE MET A 42 -0.254 26.484 28.197 1.00 1.00 C ATOM 0 H MET A 42 -4.382 29.960 29.629 1.00 1.00 H new ATOM 0 HA MET A 42 -4.224 27.316 30.673 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.129 29.425 29.931 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.695 27.821 30.489 1.00 1.00 H new ATOM 0 HG2 MET A 42 -2.936 26.811 28.577 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.398 28.409 28.024 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.709 26.359 27.701 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.096 26.623 29.267 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.865 25.596 28.033 1.00 1.00 H new ATOM 658 N THR A 43 -3.883 29.706 32.794 1.00 1.00 N ATOM 659 CA THR A 43 -3.852 29.958 34.234 1.00 1.00 C ATOM 660 C THR A 43 -5.202 29.657 34.860 1.00 1.00 C ATOM 661 O THR A 43 -5.367 29.747 36.073 1.00 1.00 O ATOM 662 CB THR A 43 -3.443 31.382 34.618 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.162 32.376 33.899 1.00 1.00 O ATOM 664 CG2 THR A 43 -1.958 31.594 34.299 1.00 1.00 C ATOM 0 H THR A 43 -4.226 30.495 32.246 1.00 1.00 H new ATOM 0 HA THR A 43 -3.083 29.288 34.619 1.00 1.00 H new ATOM 0 HB THR A 43 -3.658 31.485 35.682 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.886 32.363 32.959 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.668 32.608 34.573 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.359 30.880 34.864 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.790 31.444 33.233 1.00 1.00 H new ATOM 672 N HIS A 44 -6.205 29.226 34.066 1.00 1.00 N ATOM 673 CA HIS A 44 -7.506 28.825 34.594 1.00 1.00 C ATOM 674 C HIS A 44 -8.162 27.662 33.845 1.00 1.00 C ATOM 675 O HIS A 44 -9.237 27.859 33.267 1.00 1.00 O ATOM 676 CB HIS A 44 -8.493 30.015 34.573 1.00 1.00 C ATOM 677 CG HIS A 44 -8.033 31.166 35.413 1.00 1.00 C ATOM 678 ND1 HIS A 44 -8.132 31.156 36.774 1.00 1.00 N ATOM 679 CD2 HIS A 44 -7.453 32.335 35.067 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.639 32.284 37.254 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.222 33.019 36.233 1.00 1.00 N ATOM 0 H HIS A 44 -6.127 29.150 33.052 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.299 28.490 35.611 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.627 30.352 33.545 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.467 29.679 34.928 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -7.217 32.667 34.067 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -7.585 32.559 38.297 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -6.798 33.944 36.303 1.00 1.00 H new ATOM 690 N PRO A 45 -7.628 26.440 33.820 1.00 1.00 N ATOM 691 CA PRO A 45 -8.308 25.292 33.228 1.00 1.00 C ATOM 692 C PRO A 45 -9.486 24.794 34.062 1.00 1.00 C ATOM 693 O PRO A 45 -9.546 25.024 35.273 1.00 1.00 O ATOM 694 CB PRO A 45 -7.200 24.230 33.124 1.00 1.00 C ATOM 695 CG PRO A 45 -6.253 24.564 34.277 1.00 1.00 C ATOM 696 CD PRO A 45 -6.290 26.091 34.311 1.00 1.00 C ATOM 0 HA PRO A 45 -8.758 25.542 32.267 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.604 23.222 33.219 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.690 24.279 32.162 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.592 24.130 35.218 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.246 24.187 34.096 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.127 26.469 35.320 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.512 26.521 33.680 1.00 1.00 H new ATOM 704 N GLU A 46 -10.447 24.132 33.385 1.00 1.00 N ATOM 705 CA GLU A 46 -11.621 23.466 33.923 1.00 1.00 C ATOM 706 C GLU A 46 -12.604 24.385 34.636 1.00 1.00 C ATOM 707 O GLU A 46 -13.204 24.037 35.650 1.00 1.00 O ATOM 708 CB GLU A 46 -11.279 22.201 34.754 1.00 1.00 C ATOM 709 CG GLU A 46 -10.519 21.133 33.927 1.00 1.00 C ATOM 710 CD GLU A 46 -10.368 19.824 34.673 1.00 1.00 C ATOM 711 OE1 GLU A 46 -11.405 19.225 35.071 1.00 1.00 O ATOM 712 OE2 GLU A 46 -9.214 19.352 34.854 1.00 1.00 O ATOM 0 H GLU A 46 -10.406 24.051 32.369 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.156 23.122 33.038 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.674 22.488 35.614 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.200 21.766 35.143 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -11.050 20.956 32.992 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.532 21.515 33.665 1.00 1.00 H new ATOM 719 N ARG A 47 -12.825 25.593 34.089 1.00 1.00 N ATOM 720 CA ARG A 47 -13.771 26.538 34.649 1.00 1.00 C ATOM 721 C ARG A 47 -14.408 27.361 33.539 1.00 1.00 C ATOM 722 O ARG A 47 -13.721 27.873 32.655 1.00 1.00 O ATOM 723 CB ARG A 47 -13.045 27.445 35.672 1.00 1.00 C ATOM 724 CG ARG A 47 -13.907 28.554 36.301 1.00 1.00 C ATOM 725 CD ARG A 47 -13.206 29.228 37.485 1.00 1.00 C ATOM 726 NE ARG A 47 -14.006 30.440 37.826 1.00 1.00 N ATOM 727 CZ ARG A 47 -13.662 31.311 38.781 1.00 1.00 C ATOM 728 NH1 ARG A 47 -12.651 31.076 39.607 1.00 1.00 N ATOM 729 NH2 ARG A 47 -14.348 32.440 38.918 1.00 1.00 N ATOM 0 H ARG A 47 -12.349 25.928 33.251 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.567 26.000 35.164 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.650 26.818 36.471 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.191 27.908 35.179 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.141 29.303 35.545 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -14.854 28.131 36.634 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.148 28.550 38.337 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -12.183 29.500 37.225 1.00 1.00 H new ATOM 0 HE ARG A 47 -14.863 30.614 37.302 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -12.114 30.213 39.523 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -12.411 31.758 40.326 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -15.132 32.639 38.297 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -14.091 33.108 39.644 1.00 1.00 H new ATOM 743 N VAL A 48 -15.750 27.492 33.537 1.00 1.00 N ATOM 744 CA VAL A 48 -16.474 28.256 32.528 1.00 1.00 C ATOM 745 C VAL A 48 -16.383 29.756 32.775 1.00 1.00 C ATOM 746 O VAL A 48 -16.596 30.253 33.883 1.00 1.00 O ATOM 747 CB VAL A 48 -17.952 27.875 32.403 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.606 28.539 31.171 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.100 26.348 32.287 1.00 1.00 C ATOM 0 H VAL A 48 -16.354 27.066 34.241 1.00 1.00 H new ATOM 0 HA VAL A 48 -15.979 27.999 31.592 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.457 28.231 33.301 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.654 28.246 31.114 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.536 29.623 31.262 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.089 28.217 30.267 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.155 26.090 32.199 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.566 25.997 31.404 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.684 25.874 33.176 1.00 1.00 H new ATOM 759 N TYR A 49 -16.092 30.521 31.717 1.00 1.00 N ATOM 760 CA TYR A 49 -16.092 31.969 31.725 1.00 1.00 C ATOM 761 C TYR A 49 -17.000 32.437 30.617 1.00 1.00 C ATOM 762 O TYR A 49 -16.898 32.020 29.461 1.00 1.00 O ATOM 763 CB TYR A 49 -14.679 32.557 31.509 1.00 1.00 C ATOM 764 CG TYR A 49 -13.813 32.276 32.705 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.887 33.088 33.851 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.907 31.203 32.690 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.040 32.858 34.946 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.067 30.966 33.786 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.117 31.809 34.902 1.00 1.00 C ATOM 770 OH TYR A 49 -11.218 31.601 35.966 1.00 1.00 O ATOM 0 H TYR A 49 -15.844 30.127 30.809 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.437 32.311 32.701 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.229 32.124 30.615 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.746 33.632 31.343 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.602 33.896 33.889 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.857 30.556 31.827 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.101 33.489 35.820 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.381 30.132 33.770 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.627 31.903 36.804 1.00 1.00 H new ATOM 780 N SER A 50 -17.944 33.324 30.966 1.00 1.00 N ATOM 781 CA SER A 50 -18.775 34.026 30.015 1.00 1.00 C ATOM 782 C SER A 50 -18.003 35.049 29.213 1.00 1.00 C ATOM 783 O SER A 50 -16.888 35.448 29.552 1.00 1.00 O ATOM 784 CB SER A 50 -19.988 34.724 30.679 1.00 1.00 C ATOM 785 OG SER A 50 -19.584 35.770 31.565 1.00 1.00 O ATOM 0 H SER A 50 -18.143 33.568 31.936 1.00 1.00 H new ATOM 0 HA SER A 50 -19.141 33.250 29.342 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.638 35.134 29.906 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.573 33.988 31.230 1.00 1.00 H new ATOM 0 HG SER A 50 -20.377 36.187 31.962 1.00 1.00 H new ATOM 791 N ARG A 51 -18.595 35.524 28.104 1.00 1.00 N ATOM 792 CA ARG A 51 -18.022 36.565 27.277 1.00 1.00 C ATOM 793 C ARG A 51 -17.803 37.866 28.041 1.00 1.00 C ATOM 794 O ARG A 51 -16.770 38.511 27.871 1.00 1.00 O ATOM 795 CB ARG A 51 -18.872 36.741 26.000 1.00 1.00 C ATOM 796 CG ARG A 51 -18.796 35.477 25.116 1.00 1.00 C ATOM 797 CD ARG A 51 -19.827 35.431 23.990 1.00 1.00 C ATOM 798 NE ARG A 51 -19.623 34.135 23.261 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.363 33.039 23.453 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.059 32.818 24.565 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.444 32.174 22.445 1.00 1.00 N ATOM 0 H ARG A 51 -19.494 35.183 27.765 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.022 36.256 26.971 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.909 36.939 26.272 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.519 37.606 25.438 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.798 35.412 24.682 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -18.927 34.598 25.748 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.839 35.493 24.391 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.699 36.277 23.315 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.870 34.088 22.574 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.043 33.502 25.321 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.609 31.964 24.661 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.952 32.362 21.571 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.998 31.323 22.546 1.00 1.00 H new ATOM 815 N GLU A 52 -18.710 38.239 28.972 1.00 1.00 N ATOM 816 CA GLU A 52 -18.493 39.325 29.912 1.00 1.00 C ATOM 817 C GLU A 52 -17.265 39.137 30.803 1.00 1.00 C ATOM 818 O GLU A 52 -16.477 40.073 30.966 1.00 1.00 O ATOM 819 CB GLU A 52 -19.712 39.541 30.848 1.00 1.00 C ATOM 820 CG GLU A 52 -20.987 40.094 30.159 1.00 1.00 C ATOM 821 CD GLU A 52 -21.765 39.093 29.330 1.00 1.00 C ATOM 822 OE1 GLU A 52 -21.517 37.864 29.420 1.00 1.00 O ATOM 823 OE2 GLU A 52 -22.700 39.515 28.593 1.00 1.00 O ATOM 0 H GLU A 52 -19.615 37.782 29.080 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.337 40.194 29.272 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -19.958 38.591 31.322 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.422 40.228 31.643 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -21.648 40.496 30.926 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -20.700 40.927 29.517 1.00 1.00 H new ATOM 830 N GLN A 53 -17.028 37.929 31.379 1.00 1.00 N ATOM 831 CA GLN A 53 -15.850 37.699 32.195 1.00 1.00 C ATOM 832 C GLN A 53 -14.566 37.737 31.384 1.00 1.00 C ATOM 833 O GLN A 53 -13.578 38.348 31.784 1.00 1.00 O ATOM 834 CB GLN A 53 -15.959 36.366 32.974 1.00 1.00 C ATOM 835 CG GLN A 53 -17.102 36.346 34.019 1.00 1.00 C ATOM 836 CD GLN A 53 -16.949 37.473 35.042 1.00 1.00 C ATOM 837 OE1 GLN A 53 -15.857 37.726 35.561 1.00 1.00 O ATOM 838 NE2 GLN A 53 -18.053 38.195 35.333 1.00 1.00 N ATOM 0 H GLN A 53 -17.642 37.120 31.283 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.805 38.519 32.912 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.113 35.553 32.265 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.013 36.173 33.480 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -18.062 36.442 33.511 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -17.109 35.385 34.534 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -18.943 37.966 34.891 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -17.996 38.969 35.995 1.00 1.00 H new ATOM 847 N LEU A 54 -14.565 37.134 30.177 1.00 1.00 N ATOM 848 CA LEU A 54 -13.441 37.195 29.259 1.00 1.00 C ATOM 849 C LEU A 54 -13.107 38.615 28.818 1.00 1.00 C ATOM 850 O LEU A 54 -11.941 39.007 28.796 1.00 1.00 O ATOM 851 CB LEU A 54 -13.679 36.298 28.020 1.00 1.00 C ATOM 852 CG LEU A 54 -13.809 34.793 28.345 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.153 33.993 27.082 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.546 34.221 29.006 1.00 1.00 C ATOM 0 H LEU A 54 -15.354 36.592 29.823 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.582 36.819 29.814 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.586 36.629 27.514 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.855 36.438 27.320 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.622 34.697 29.064 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.240 32.936 27.333 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.099 34.348 26.673 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.365 34.126 26.341 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.692 33.161 29.213 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.696 34.346 28.335 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.353 34.749 29.940 1.00 1.00 H new ATOM 866 N LEU A 55 -14.124 39.454 28.517 1.00 1.00 N ATOM 867 CA LEU A 55 -13.926 40.871 28.263 1.00 1.00 C ATOM 868 C LEU A 55 -13.328 41.620 29.444 1.00 1.00 C ATOM 869 O LEU A 55 -12.347 42.342 29.280 1.00 1.00 O ATOM 870 CB LEU A 55 -15.243 41.561 27.829 1.00 1.00 C ATOM 871 CG LEU A 55 -15.690 41.224 26.392 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.101 41.766 26.119 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.707 41.771 25.347 1.00 1.00 C ATOM 0 H LEU A 55 -15.096 39.154 28.447 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.205 40.916 27.447 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.035 41.274 28.521 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.120 42.641 27.915 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.703 40.137 26.306 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.396 41.517 25.100 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.805 41.318 26.820 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.105 42.849 26.243 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.057 41.513 24.348 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.643 42.855 25.440 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.722 41.334 25.510 1.00 1.00 H new ATOM 885 N ASN A 56 -13.849 41.421 30.675 1.00 1.00 N ATOM 886 CA ASN A 56 -13.344 42.102 31.857 1.00 1.00 C ATOM 887 C ASN A 56 -11.912 41.698 32.214 1.00 1.00 C ATOM 888 O ASN A 56 -11.066 42.543 32.503 1.00 1.00 O ATOM 889 CB ASN A 56 -14.303 41.872 33.059 1.00 1.00 C ATOM 890 CG ASN A 56 -14.252 43.033 34.048 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.073 43.950 33.990 1.00 1.00 O ATOM 892 ND2 ASN A 56 -13.290 43.017 34.994 1.00 1.00 N ATOM 0 H ASN A 56 -14.625 40.786 30.862 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.310 43.166 31.623 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -15.323 41.749 32.694 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -14.033 40.947 33.569 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -13.234 43.773 35.677 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -12.619 42.249 35.026 1.00 1.00 H new ATOM 899 N HIS A 57 -11.599 40.386 32.178 1.00 1.00 N ATOM 900 CA HIS A 57 -10.267 39.868 32.454 1.00 1.00 C ATOM 901 C HIS A 57 -9.206 40.233 31.415 1.00 1.00 C ATOM 902 O HIS A 57 -8.087 40.613 31.768 1.00 1.00 O ATOM 903 CB HIS A 57 -10.292 38.326 32.627 1.00 1.00 C ATOM 904 CG HIS A 57 -10.982 37.864 33.883 1.00 1.00 C ATOM 905 ND1 HIS A 57 -12.078 37.082 34.074 1.00 1.00 N flip ATOM 906 CD2 HIS A 57 -10.429 38.211 35.103 1.00 1.00 C flip ATOM 907 CE1 HIS A 57 -12.215 36.940 35.440 1.00 1.00 C flip ATOM 908 NE2 HIS A 57 -11.201 37.630 36.010 1.00 1.00 N flip ATOM 0 H HIS A 57 -12.279 39.660 31.953 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.976 40.358 33.383 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.791 37.882 31.766 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.268 37.954 32.629 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -9.557 38.823 35.278 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -12.985 36.384 35.955 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -11.049 37.695 37.016 1.00 1.00 H new ATOM 916 N VAL A 58 -9.514 40.129 30.103 1.00 1.00 N ATOM 917 CA VAL A 58 -8.487 40.226 29.070 1.00 1.00 C ATOM 918 C VAL A 58 -8.440 41.610 28.452 1.00 1.00 C ATOM 919 O VAL A 58 -7.441 42.323 28.558 1.00 1.00 O ATOM 920 CB VAL A 58 -8.704 39.172 27.986 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.640 39.276 26.875 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.639 37.779 28.638 1.00 1.00 C ATOM 0 H VAL A 58 -10.458 39.980 29.748 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.527 40.042 29.553 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.678 39.336 27.526 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -7.825 38.511 26.121 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.692 40.262 26.412 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.649 39.129 27.305 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.792 37.014 27.877 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.662 37.639 29.102 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.416 37.696 29.398 1.00 1.00 H new ATOM 932 N TRP A 59 -9.535 42.034 27.789 1.00 1.00 N ATOM 933 CA TRP A 59 -9.645 43.313 27.111 1.00 1.00 C ATOM 934 C TRP A 59 -9.636 44.496 28.077 1.00 1.00 C ATOM 935 O TRP A 59 -8.977 45.507 27.830 1.00 1.00 O ATOM 936 CB TRP A 59 -10.927 43.351 26.230 1.00 1.00 C ATOM 937 CG TRP A 59 -10.854 42.593 24.905 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.671 43.128 23.658 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.094 41.183 24.699 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.752 42.147 22.691 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.049 40.955 23.307 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.372 40.139 25.578 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.310 39.697 22.782 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.648 38.869 25.045 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.631 38.652 23.660 1.00 1.00 C ATOM 0 H TRP A 59 -10.382 41.471 27.717 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.763 43.410 26.478 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.755 42.946 26.812 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.166 44.393 26.017 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.488 44.174 23.459 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.615 42.283 21.690 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.375 40.302 26.646 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.267 39.526 21.716 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.876 38.049 25.710 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.867 37.674 23.267 1.00 1.00 H new ATOM 956 N GLY A 60 -10.347 44.374 29.216 1.00 1.00 N ATOM 957 CA GLY A 60 -10.402 45.405 30.249 1.00 1.00 C ATOM 958 C GLY A 60 -11.786 45.945 30.511 1.00 1.00 C ATOM 959 O GLY A 60 -12.801 45.414 30.064 1.00 1.00 O ATOM 0 H GLY A 60 -10.901 43.547 29.438 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -10.002 44.996 31.177 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -9.751 46.230 29.958 1.00 1.00 H new ATOM 963 N THR A 61 -11.859 47.040 31.287 1.00 1.00 N ATOM 964 CA THR A 61 -13.104 47.621 31.788 1.00 1.00 C ATOM 965 C THR A 61 -13.506 48.856 31.002 1.00 1.00 C ATOM 966 O THR A 61 -14.682 49.208 30.918 1.00 1.00 O ATOM 967 CB THR A 61 -13.027 48.018 33.267 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.937 48.891 33.561 1.00 1.00 O ATOM 969 CG2 THR A 61 -12.821 46.754 34.111 1.00 1.00 C ATOM 0 H THR A 61 -11.030 47.554 31.587 1.00 1.00 H new ATOM 0 HA THR A 61 -13.847 46.833 31.666 1.00 1.00 H new ATOM 0 HB THR A 61 -13.958 48.536 33.496 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.941 49.110 34.516 1.00 1.00 H new ATOM 0 HG21 THR A 61 -12.765 47.026 35.165 1.00 1.00 H new ATOM 0 HG22 THR A 61 -13.657 46.073 33.956 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.894 46.264 33.813 1.00 1.00 H new ATOM 977 N ASN A 62 -12.551 49.525 30.330 1.00 1.00 N ATOM 978 CA ASN A 62 -12.785 50.724 29.535 1.00 1.00 C ATOM 979 C ASN A 62 -12.775 50.383 28.049 1.00 1.00 C ATOM 980 O ASN A 62 -12.447 51.206 27.195 1.00 1.00 O ATOM 981 CB ASN A 62 -11.742 51.831 29.843 1.00 1.00 C ATOM 982 CG ASN A 62 -11.831 52.264 31.305 1.00 1.00 C ATOM 983 OD1 ASN A 62 -12.907 52.585 31.828 1.00 1.00 O ATOM 984 ND2 ASN A 62 -10.668 52.312 31.993 1.00 1.00 N ATOM 0 H ASN A 62 -11.574 49.232 30.331 1.00 1.00 H new ATOM 0 HA ASN A 62 -13.767 51.113 29.805 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.739 51.463 29.628 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -11.912 52.689 29.193 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -10.663 52.618 32.966 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -9.795 52.042 31.539 1.00 1.00 H new ATOM 991 N VAL A 63 -13.131 49.128 27.712 1.00 1.00 N ATOM 992 CA VAL A 63 -13.243 48.627 26.358 1.00 1.00 C ATOM 993 C VAL A 63 -14.687 48.249 26.114 1.00 1.00 C ATOM 994 O VAL A 63 -15.391 47.720 26.980 1.00 1.00 O ATOM 995 CB VAL A 63 -12.313 47.441 26.130 1.00 1.00 C ATOM 996 CG1 VAL A 63 -12.453 46.869 24.708 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.860 47.897 26.362 1.00 1.00 C ATOM 0 H VAL A 63 -13.354 48.421 28.413 1.00 1.00 H new ATOM 0 HA VAL A 63 -12.940 49.399 25.651 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.585 46.652 26.831 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -11.773 46.026 24.587 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -13.478 46.535 24.550 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -12.207 47.641 23.979 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -10.185 47.056 26.202 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.614 48.698 25.665 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.751 48.260 27.384 1.00 1.00 H new ATOM 1007 N TYR A 64 -15.171 48.620 24.918 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.572 48.904 24.678 1.00 1.00 C ATOM 1009 C TYR A 64 -17.196 48.086 23.558 1.00 1.00 C ATOM 1010 O TYR A 64 -18.331 48.302 23.122 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.638 50.396 24.299 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.579 51.281 25.517 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -17.645 51.302 26.434 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -15.477 52.125 25.742 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -17.614 52.155 27.546 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -15.446 52.982 26.853 1.00 1.00 C ATOM 1017 CZ TYR A 64 -16.520 53.003 27.751 1.00 1.00 C ATOM 1018 OH TYR A 64 -16.525 53.897 28.844 1.00 1.00 O ATOM 0 H TYR A 64 -14.585 48.729 24.090 1.00 1.00 H new ATOM 0 HA TYR A 64 -17.136 48.647 25.575 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -15.811 50.639 23.631 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -17.559 50.592 23.750 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -18.496 50.655 26.280 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -14.646 52.114 25.053 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -18.436 52.158 28.246 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -14.594 53.625 27.015 1.00 1.00 H new ATOM 0 HH TYR A 64 -15.693 54.415 28.847 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.434 47.103 23.091 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.775 46.133 22.055 1.00 1.00 C ATOM 1030 C VAL A 65 -18.019 45.292 22.335 1.00 1.00 C ATOM 1031 O VAL A 65 -18.368 44.985 23.478 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.630 45.195 21.686 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.449 46.006 21.142 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -15.166 44.346 22.876 1.00 1.00 C ATOM 0 H VAL A 65 -15.492 46.952 23.453 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.996 46.784 21.209 1.00 1.00 H new ATOM 0 HB VAL A 65 -16.002 44.514 20.921 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.634 45.331 20.880 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.763 46.557 20.255 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -14.108 46.708 21.903 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.350 43.695 22.562 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.821 45.000 23.677 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.997 43.739 23.236 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.730 44.901 21.259 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.769 43.891 21.241 1.00 1.00 C ATOM 1046 C GLU A 66 -19.310 42.536 21.773 1.00 1.00 C ATOM 1047 O GLU A 66 -18.121 42.237 21.870 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.312 43.710 19.802 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.951 44.982 19.185 1.00 1.00 C ATOM 1050 CD GLU A 66 -22.299 45.340 19.794 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -22.904 44.713 20.643 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -22.813 46.490 19.253 1.00 1.00 O ATOM 0 H GLU A 66 -18.575 45.312 20.338 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.552 44.252 21.908 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.495 43.382 19.159 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -21.055 42.912 19.806 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -20.268 45.822 19.315 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -21.074 44.834 18.112 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.258 41.648 22.131 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.965 40.328 22.669 1.00 1.00 C ATOM 1062 C ASP A 67 -19.192 39.453 21.684 1.00 1.00 C ATOM 1063 O ASP A 67 -18.377 38.615 22.061 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.277 39.586 23.054 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.924 40.151 24.294 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -21.712 41.338 24.651 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -22.666 39.398 24.981 1.00 1.00 O ATOM 0 H ASP A 67 -21.256 41.840 22.049 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.346 40.492 23.551 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.980 39.645 22.223 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -21.059 38.530 23.212 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.434 39.633 20.375 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.101 38.641 19.382 1.00 1.00 C ATOM 1074 C ARG A 68 -17.758 38.864 18.723 1.00 1.00 C ATOM 1075 O ARG A 68 -17.391 38.137 17.802 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.233 38.550 18.331 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.579 38.097 18.937 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.530 36.695 19.554 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.889 36.389 20.068 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.175 35.295 20.775 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.324 34.290 20.940 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.357 35.174 21.372 1.00 1.00 N ATOM 0 H ARG A 68 -19.866 40.474 19.993 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.010 37.689 19.905 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.362 39.524 17.858 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.939 37.851 17.547 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.883 38.812 19.702 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.343 38.117 18.160 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.226 35.959 18.810 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.797 36.655 20.360 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.642 37.049 19.870 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.398 34.331 20.515 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.596 33.476 21.492 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.048 35.919 21.290 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.572 34.336 21.912 1.00 1.00 H new ATOM 1096 N THR A 69 -16.930 39.815 19.210 1.00 1.00 N ATOM 1097 CA THR A 69 -15.502 39.754 18.915 1.00 1.00 C ATOM 1098 C THR A 69 -14.812 38.684 19.751 1.00 1.00 C ATOM 1099 O THR A 69 -13.790 38.125 19.352 1.00 1.00 O ATOM 1100 CB THR A 69 -14.827 41.116 19.000 1.00 1.00 C ATOM 1101 OG1 THR A 69 -13.465 41.088 18.582 1.00 1.00 O ATOM 1102 CG2 THR A 69 -14.846 41.729 20.392 1.00 1.00 C ATOM 0 H THR A 69 -17.222 40.603 19.788 1.00 1.00 H new ATOM 0 HA THR A 69 -15.396 39.452 17.873 1.00 1.00 H new ATOM 0 HB THR A 69 -15.425 41.727 18.324 1.00 1.00 H new ATOM 0 HG1 THR A 69 -13.082 41.987 18.656 1.00 1.00 H new ATOM 0 HG21 THR A 69 -14.346 42.697 20.370 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.878 41.860 20.718 1.00 1.00 H new ATOM 0 HG23 THR A 69 -14.327 41.069 21.087 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.400 38.272 20.900 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.901 37.136 21.668 1.00 1.00 C ATOM 1112 C VAL A 70 -14.995 35.838 20.872 1.00 1.00 C ATOM 1113 O VAL A 70 -14.006 35.127 20.724 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.610 36.983 23.011 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.958 35.854 23.837 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.528 38.308 23.796 1.00 1.00 C ATOM 0 H VAL A 70 -16.222 38.720 21.305 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.851 37.345 21.872 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.654 36.730 22.828 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.474 35.757 24.792 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -15.029 34.915 23.289 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.909 36.092 24.014 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.035 38.195 24.754 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.483 38.566 23.967 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.008 39.101 23.223 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.158 35.557 20.249 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.423 34.397 19.409 1.00 1.00 C ATOM 1128 C ASP A 71 -15.491 34.299 18.203 1.00 1.00 C ATOM 1129 O ASP A 71 -14.965 33.231 17.887 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.890 34.427 18.880 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.912 34.435 19.997 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.844 35.330 20.871 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.845 33.585 19.994 1.00 1.00 O ATOM 0 H ASP A 71 -16.970 36.170 20.329 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.252 33.529 20.046 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -18.030 35.311 18.258 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -18.060 33.559 18.243 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.236 35.433 17.519 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.269 35.537 16.432 1.00 1.00 C ATOM 1140 C VAL A 72 -12.840 35.274 16.901 1.00 1.00 C ATOM 1141 O VAL A 72 -12.099 34.500 16.301 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.383 36.896 15.744 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.283 37.096 14.683 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.775 36.982 15.082 1.00 1.00 C ATOM 0 H VAL A 72 -15.711 36.313 17.719 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.508 34.759 15.707 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.256 37.682 16.488 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.400 38.075 14.218 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.304 37.035 15.158 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.366 36.320 13.922 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.882 37.945 14.583 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.880 36.181 14.351 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.547 36.881 15.844 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.427 35.852 18.048 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.118 35.598 18.638 1.00 1.00 C ATOM 1156 C HIS A 73 -10.935 34.162 19.125 1.00 1.00 C ATOM 1157 O HIS A 73 -9.842 33.614 19.050 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.841 36.566 19.807 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.481 37.953 19.342 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -9.220 38.236 18.913 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -11.151 39.129 19.364 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -9.103 39.534 18.708 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -10.260 40.098 18.988 1.00 1.00 N ATOM 0 H HIS A 73 -12.999 36.506 18.583 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.402 35.764 17.833 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.723 36.619 20.446 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.029 36.170 20.417 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.479 37.549 18.772 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -12.188 39.275 19.627 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -8.214 40.045 18.370 1.00 1.00 H new ATOM 1172 N ILE A 74 -12.004 33.500 19.602 1.00 1.00 N ATOM 1173 CA ILE A 74 -12.024 32.074 19.901 1.00 1.00 C ATOM 1174 C ILE A 74 -11.774 31.212 18.656 1.00 1.00 C ATOM 1175 O ILE A 74 -10.974 30.277 18.708 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.330 31.702 20.610 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.330 32.223 22.075 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.642 30.193 20.559 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.405 31.471 23.040 1.00 1.00 C ATOM 0 H ILE A 74 -12.894 33.961 19.792 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.197 31.861 20.578 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.131 32.196 20.060 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -13.043 33.275 22.069 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.348 32.172 22.461 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.580 29.998 21.079 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.730 29.875 19.520 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.837 29.639 21.041 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.479 31.913 24.034 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.701 30.423 23.085 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.376 31.542 22.687 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.365 31.542 17.482 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.037 30.855 16.246 1.00 1.00 C ATOM 1193 C ARG A 75 -10.588 31.130 15.799 1.00 1.00 C ATOM 1194 O ARG A 75 -9.893 30.185 15.402 1.00 1.00 O ATOM 1195 CB ARG A 75 -13.025 31.241 15.074 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.987 30.282 13.855 1.00 1.00 C ATOM 1197 CD ARG A 75 -11.915 30.595 12.792 1.00 1.00 C ATOM 1198 NE ARG A 75 -11.948 29.554 11.705 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.096 28.518 11.664 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.588 27.965 12.752 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.754 28.045 10.469 1.00 1.00 N ATOM 0 H ARG A 75 -13.065 32.277 17.383 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.143 29.791 16.460 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.041 31.268 15.467 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.788 32.249 14.734 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -12.826 29.267 14.219 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -13.965 30.297 13.374 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -12.091 31.583 12.366 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -10.928 30.618 13.255 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.648 29.640 10.968 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -10.840 28.325 13.672 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -9.944 27.178 12.671 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.137 28.469 9.624 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -10.109 27.258 10.397 1.00 1.00 H new ATOM 1215 N ARG A 76 -10.049 32.370 15.975 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.659 32.608 15.676 1.00 1.00 C ATOM 1217 C ARG A 76 -7.699 31.858 16.656 1.00 1.00 C ATOM 1218 O ARG A 76 -6.696 31.307 16.178 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.309 34.188 15.978 1.00 1.00 C ATOM 1220 CG ARG A 76 -9.035 35.111 14.960 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.701 36.597 15.243 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.455 37.405 14.237 1.00 1.00 N ATOM 1223 CZ ARG A 76 -9.810 38.688 14.387 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.342 39.458 15.358 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.655 39.213 13.505 1.00 1.00 N ATOM 0 H ARG A 76 -10.563 33.183 16.315 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.519 32.288 14.643 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.612 34.446 16.993 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.232 34.346 15.917 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.734 34.851 13.945 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.112 34.956 15.023 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -8.991 36.873 16.257 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.629 36.776 15.158 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.720 36.943 13.367 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -8.680 39.079 16.035 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.644 40.430 15.429 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -11.014 38.641 12.740 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -10.944 40.187 13.593 1.00 1.00 H new ATOM 1239 N LEU A 77 -8.068 31.670 17.960 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.254 30.886 18.826 1.00 1.00 C ATOM 1241 C LEU A 77 -7.327 29.352 18.535 1.00 1.00 C ATOM 1242 O LEU A 77 -6.278 28.719 18.527 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.893 31.072 20.332 1.00 1.00 C ATOM 1244 CG LEU A 77 -7.067 30.407 21.437 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.617 30.901 21.520 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.768 30.643 22.798 1.00 1.00 C ATOM 0 H LEU A 77 -8.909 32.057 18.388 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.221 31.212 18.703 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.985 32.136 20.549 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.901 30.656 20.344 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.013 29.347 21.190 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.101 30.381 22.327 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.110 30.700 20.576 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.609 31.973 21.716 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.188 30.173 23.592 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.843 31.714 22.988 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.767 30.208 22.773 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.485 28.807 18.096 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.542 27.478 17.561 1.00 1.00 C ATOM 1260 C ARG A 78 -7.759 27.299 16.245 1.00 1.00 C ATOM 1261 O ARG A 78 -7.007 26.340 16.109 1.00 1.00 O ATOM 1262 CB ARG A 78 -10.057 27.140 17.280 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.831 26.928 18.593 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.353 26.992 18.417 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.926 26.489 19.701 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.208 26.619 20.077 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.072 27.358 19.396 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.631 25.983 21.169 1.00 1.00 N ATOM 0 H ARG A 78 -9.383 29.291 18.113 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.083 26.814 18.294 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.514 27.950 16.712 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.124 26.242 16.666 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.561 25.959 19.013 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.523 27.685 19.314 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.682 28.011 18.213 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.677 26.379 17.576 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.294 26.009 20.342 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.770 27.851 18.556 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.039 27.433 19.712 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -13.983 25.407 21.707 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.602 26.072 21.467 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.809 28.278 15.311 1.00 1.00 N ATOM 1283 CA LYS A 79 -7.024 28.263 14.091 1.00 1.00 C ATOM 1284 C LYS A 79 -5.522 28.255 14.361 1.00 1.00 C ATOM 1285 O LYS A 79 -4.766 27.484 13.771 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.383 29.498 13.215 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.891 29.448 11.756 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.376 30.676 10.961 1.00 1.00 C ATOM 1289 CE LYS A 79 -7.159 30.623 9.438 1.00 1.00 C ATOM 1290 NZ LYS A 79 -5.727 30.640 9.098 1.00 1.00 N ATOM 0 H LYS A 79 -8.406 29.100 15.400 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.269 27.340 13.565 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.467 29.614 13.210 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.969 30.389 13.688 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.802 29.407 11.738 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -7.252 28.537 11.279 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.441 30.810 11.152 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.869 31.559 11.350 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -7.619 29.721 9.035 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -7.656 31.472 8.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -5.615 30.603 8.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -5.294 31.513 9.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -5.259 29.816 9.526 1.00 1.00 H new ATOM 1304 N ALA A 80 -5.073 29.077 15.330 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.712 29.137 15.809 1.00 1.00 C ATOM 1306 C ALA A 80 -3.190 27.862 16.472 1.00 1.00 C ATOM 1307 O ALA A 80 -2.027 27.504 16.279 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.572 30.316 16.790 1.00 1.00 C ATOM 0 H ALA A 80 -5.687 29.736 15.808 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.097 29.269 14.919 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.546 30.366 17.155 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.821 31.246 16.279 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.250 30.172 17.631 1.00 1.00 H new ATOM 1314 N LEU A 81 -4.021 27.150 17.272 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.601 25.999 18.044 1.00 1.00 C ATOM 1316 C LEU A 81 -3.964 24.692 17.360 1.00 1.00 C ATOM 1317 O LEU A 81 -3.735 23.609 17.903 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.257 26.016 19.447 1.00 1.00 C ATOM 1319 CG LEU A 81 -3.803 27.169 20.365 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -4.611 27.135 21.670 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.299 27.118 20.678 1.00 1.00 C ATOM 0 H LEU A 81 -5.009 27.377 17.387 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.516 26.061 18.132 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.339 26.073 19.325 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.042 25.070 19.944 1.00 1.00 H new ATOM 0 HG LEU A 81 -3.986 28.102 19.832 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.290 27.950 22.318 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -5.671 27.247 21.444 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.446 26.183 22.175 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.034 27.952 21.327 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.063 26.179 21.179 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.732 27.186 19.750 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.502 24.750 16.131 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.761 23.590 15.298 1.00 1.00 C ATOM 1335 C GLU A 82 -3.542 22.706 14.990 1.00 1.00 C ATOM 1336 O GLU A 82 -3.711 21.487 15.115 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.494 24.036 14.007 1.00 1.00 C ATOM 1338 CG GLU A 82 -5.955 22.888 13.079 1.00 1.00 C ATOM 1339 CD GLU A 82 -6.669 23.439 11.856 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -6.735 24.615 11.539 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -7.266 22.469 11.098 1.00 1.00 O ATOM 0 H GLU A 82 -4.771 25.629 15.690 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.401 22.933 15.887 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.366 24.625 14.289 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -4.833 24.694 13.443 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.093 22.297 12.768 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.621 22.218 13.624 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.324 23.167 14.649 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.127 22.323 14.599 1.00 1.00 C ATOM 1351 C PRO A 83 -0.843 21.555 15.882 1.00 1.00 C ATOM 1352 O PRO A 83 -0.764 22.150 16.955 1.00 1.00 O ATOM 1353 CB PRO A 83 0.016 23.294 14.263 1.00 1.00 C ATOM 1354 CG PRO A 83 -0.671 24.435 13.512 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.017 24.539 14.226 1.00 1.00 C ATOM 0 HA PRO A 83 -1.255 21.533 13.859 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.512 23.652 15.165 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.778 22.815 13.649 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.104 25.364 13.578 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -0.790 24.209 12.452 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -1.960 25.213 15.081 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -2.788 24.930 13.562 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.703 20.222 15.800 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.512 19.347 16.955 1.00 1.00 C ATOM 1365 C GLY A 84 -1.765 19.018 17.735 1.00 1.00 C ATOM 1366 O GLY A 84 -1.722 18.280 18.722 1.00 1.00 O ATOM 0 H GLY A 84 -0.720 19.720 14.912 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -0.063 18.415 16.613 1.00 1.00 H new ATOM 0 HA3 GLY A 84 0.203 19.816 17.631 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.938 19.528 17.305 1.00 1.00 N ATOM 1371 CA GLY A 85 -4.227 19.170 17.888 1.00 1.00 C ATOM 1372 C GLY A 85 -4.529 19.744 19.249 1.00 1.00 C ATOM 1373 O GLY A 85 -5.089 19.057 20.101 1.00 1.00 O ATOM 0 H GLY A 85 -3.007 20.201 16.541 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -5.012 19.487 17.202 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -4.282 18.083 17.955 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.166 21.016 19.511 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.432 21.647 20.802 1.00 1.00 C ATOM 1379 C HIS A 86 -5.617 22.606 20.750 1.00 1.00 C ATOM 1380 O HIS A 86 -6.082 23.086 21.779 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.188 22.357 21.381 1.00 1.00 C ATOM 1382 CG HIS A 86 -1.994 21.438 21.476 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.937 20.413 22.375 1.00 1.00 N ATOM 1384 CD2 HIS A 86 -0.863 21.360 20.735 1.00 1.00 C ATOM 1385 CE1 HIS A 86 -0.816 19.734 22.198 1.00 1.00 C ATOM 1386 NE2 HIS A 86 -0.147 20.292 21.205 1.00 1.00 N ATOM 0 H HIS A 86 -3.689 21.619 18.841 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.693 20.831 21.476 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.936 23.212 20.754 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.423 22.746 22.371 1.00 1.00 H new ATOM 0 HD1 HIS A 86 -2.649 20.203 23.075 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -0.579 22.017 19.926 1.00 1.00 H new ATOM 0 HE1 HIS A 86 -0.502 18.872 22.767 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.193 22.864 19.556 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.432 23.590 19.343 1.00 1.00 C ATOM 1397 C ASP A 87 -8.629 23.063 20.141 1.00 1.00 C ATOM 1398 O ASP A 87 -9.459 23.825 20.638 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.751 23.617 17.817 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.906 22.248 17.178 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.931 21.453 17.182 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -9.009 21.940 16.651 1.00 1.00 O ATOM 0 H ASP A 87 -5.774 22.550 18.681 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.270 24.599 19.723 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.670 24.182 17.662 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -6.955 24.155 17.302 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.719 21.733 20.317 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.788 21.047 21.020 1.00 1.00 C ATOM 1409 C ARG A 88 -9.855 21.291 22.523 1.00 1.00 C ATOM 1410 O ARG A 88 -10.886 21.026 23.142 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.673 19.526 20.781 1.00 1.00 C ATOM 1412 CG ARG A 88 -8.287 18.939 21.111 1.00 1.00 C ATOM 1413 CD ARG A 88 -8.265 17.422 20.948 1.00 1.00 C ATOM 1414 NE ARG A 88 -6.846 16.970 21.047 1.00 1.00 N ATOM 1415 CZ ARG A 88 -6.517 15.684 21.229 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -7.442 14.734 21.353 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -5.237 15.331 21.282 1.00 1.00 N ATOM 0 H ARG A 88 -8.014 21.091 19.954 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.704 21.468 20.605 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.424 19.017 21.385 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.906 19.315 19.737 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -7.537 19.386 20.458 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.015 19.199 22.134 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -8.871 16.947 21.719 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -8.690 17.135 19.986 1.00 1.00 H new ATOM 0 HE ARG A 88 -6.102 17.663 20.974 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -8.432 14.977 21.310 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -7.161 13.763 21.491 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -4.508 16.038 21.184 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -4.983 14.353 21.420 1.00 1.00 H new ATOM 1431 N MET A 89 -8.789 21.832 23.159 1.00 1.00 N ATOM 1432 CA MET A 89 -8.806 22.216 24.559 1.00 1.00 C ATOM 1433 C MET A 89 -9.831 23.299 24.864 1.00 1.00 C ATOM 1434 O MET A 89 -10.440 23.313 25.930 1.00 1.00 O ATOM 1435 CB MET A 89 -7.426 22.740 25.004 1.00 1.00 C ATOM 1436 CG MET A 89 -6.264 21.756 24.771 1.00 1.00 C ATOM 1437 SD MET A 89 -4.637 22.475 25.146 1.00 1.00 S ATOM 1438 CE MET A 89 -4.881 22.392 26.938 1.00 1.00 C ATOM 0 H MET A 89 -7.896 22.008 22.698 1.00 1.00 H new ATOM 0 HA MET A 89 -9.074 21.312 25.105 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.214 23.666 24.470 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.470 22.986 26.065 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.415 20.871 25.389 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.278 21.425 23.732 1.00 1.00 H new ATOM 0 HE1 MET A 89 -3.986 22.753 27.444 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.732 23.013 27.219 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.073 21.360 27.232 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.029 24.242 23.917 1.00 1.00 N ATOM 1449 CA VAL A 90 -11.044 25.280 23.991 1.00 1.00 C ATOM 1450 C VAL A 90 -12.442 24.710 23.757 1.00 1.00 C ATOM 1451 O VAL A 90 -12.838 24.372 22.637 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.780 26.414 23.000 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.776 27.569 23.227 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -9.337 26.935 23.164 1.00 1.00 C ATOM 0 H VAL A 90 -9.468 24.291 23.067 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.992 25.689 25.000 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.911 26.027 21.989 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.575 28.368 22.514 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.794 27.205 23.086 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.664 27.951 24.242 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.159 27.742 22.454 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.198 27.307 24.179 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.634 26.124 22.975 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.245 24.612 24.827 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.578 24.054 24.837 1.00 1.00 C ATOM 1466 C GLN A 91 -15.620 25.153 24.854 1.00 1.00 C ATOM 1467 O GLN A 91 -15.386 26.256 25.350 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.797 23.175 26.091 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.881 21.931 26.150 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.098 21.185 27.466 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.589 21.739 28.452 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -13.713 19.891 27.501 1.00 1.00 N ATOM 0 H GLN A 91 -12.954 24.940 25.748 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.681 23.452 23.934 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.629 23.781 26.981 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.837 22.850 26.118 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -14.095 21.271 25.309 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -12.837 22.233 26.061 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -13.309 19.456 26.671 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -13.826 19.348 28.357 1.00 1.00 H new ATOM 1481 N THR A 92 -16.817 24.863 24.318 1.00 1.00 N ATOM 1482 CA THR A 92 -17.906 25.825 24.227 1.00 1.00 C ATOM 1483 C THR A 92 -19.079 25.358 25.051 1.00 1.00 C ATOM 1484 O THR A 92 -19.507 24.204 24.987 1.00 1.00 O ATOM 1485 CB THR A 92 -18.389 26.067 22.803 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.310 26.523 21.997 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.456 27.169 22.776 1.00 1.00 C ATOM 0 H THR A 92 -17.049 23.946 23.936 1.00 1.00 H new ATOM 0 HA THR A 92 -17.504 26.765 24.605 1.00 1.00 H new ATOM 0 HB THR A 92 -18.795 25.127 22.429 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.043 27.421 22.285 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.789 27.328 21.750 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.305 26.869 23.391 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.033 28.094 23.168 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.644 26.265 25.867 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.776 25.995 26.728 1.00 1.00 C ATOM 1497 C VAL A 93 -21.957 26.827 26.244 1.00 1.00 C ATOM 1498 O VAL A 93 -22.018 28.042 26.451 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.435 26.352 28.171 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.617 26.025 29.096 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.187 25.562 28.619 1.00 1.00 C ATOM 0 H VAL A 93 -19.307 27.225 25.937 1.00 1.00 H new ATOM 0 HA VAL A 93 -21.029 24.935 26.691 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.229 27.421 28.231 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.359 26.285 30.122 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.491 26.597 28.786 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.841 24.960 29.037 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -18.945 25.818 29.650 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.388 24.493 28.549 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.345 25.816 27.975 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.940 26.177 25.579 1.00 1.00 N ATOM 1512 CA ARG A 94 -24.092 26.802 24.945 1.00 1.00 C ATOM 1513 C ARG A 94 -24.919 27.686 25.870 1.00 1.00 C ATOM 1514 O ARG A 94 -25.551 27.223 26.820 1.00 1.00 O ATOM 1515 CB ARG A 94 -25.032 25.737 24.311 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.208 26.316 23.490 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.197 25.258 22.978 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.241 25.998 22.203 1.00 1.00 N ATOM 1519 CZ ARG A 94 -29.471 26.324 22.626 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -29.995 25.885 23.761 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -30.200 27.130 21.855 1.00 1.00 N ATOM 0 H ARG A 94 -22.939 25.162 25.473 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.662 27.446 24.178 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.440 25.089 23.664 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.436 25.110 25.106 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.748 27.035 24.106 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.807 26.865 22.638 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.691 24.526 22.348 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.644 24.710 23.808 1.00 1.00 H new ATOM 0 HE ARG A 94 -27.992 26.284 21.256 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -29.456 25.264 24.365 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -30.937 26.168 24.031 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -29.818 27.477 20.975 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -31.140 27.400 22.144 1.00 1.00 H new ATOM 1535 N GLY A 95 -24.938 29.003 25.586 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.714 29.991 26.316 1.00 1.00 C ATOM 1537 C GLY A 95 -25.021 30.543 27.529 1.00 1.00 C ATOM 1538 O GLY A 95 -25.550 31.448 28.174 1.00 1.00 O ATOM 0 H GLY A 95 -24.396 29.406 24.821 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -25.958 30.814 25.644 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.658 29.541 26.624 1.00 1.00 H new ATOM 1542 N THR A 96 -23.802 30.071 27.847 1.00 1.00 N ATOM 1543 CA THR A 96 -23.056 30.568 29.004 1.00 1.00 C ATOM 1544 C THR A 96 -21.707 31.104 28.588 1.00 1.00 C ATOM 1545 O THR A 96 -21.322 32.194 29.004 1.00 1.00 O ATOM 1546 CB THR A 96 -22.821 29.516 30.088 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.053 28.952 30.514 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.183 30.136 31.341 1.00 1.00 C ATOM 0 H THR A 96 -23.318 29.347 27.316 1.00 1.00 H new ATOM 0 HA THR A 96 -23.684 31.355 29.421 1.00 1.00 H new ATOM 0 HB THR A 96 -22.165 28.764 29.648 1.00 1.00 H new ATOM 0 HG1 THR A 96 -23.883 28.280 31.206 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.029 29.361 32.092 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.224 30.582 31.078 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.843 30.905 31.743 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.937 30.413 27.721 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.594 30.895 27.400 1.00 1.00 C ATOM 1558 C GLY A 97 -18.644 29.811 26.994 1.00 1.00 C ATOM 1559 O GLY A 97 -18.973 28.940 26.195 1.00 1.00 O ATOM 0 H GLY A 97 -21.216 29.552 27.250 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.663 31.625 26.594 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.188 31.415 28.267 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.406 29.852 27.516 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.342 28.975 27.060 1.00 1.00 C ATOM 1565 C TYR A 98 -15.535 28.437 28.230 1.00 1.00 C ATOM 1566 O TYR A 98 -15.583 28.960 29.342 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.362 29.705 26.104 1.00 1.00 C ATOM 1568 CG TYR A 98 -16.061 30.293 24.907 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.478 29.469 23.850 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.277 31.679 24.814 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -17.046 30.034 22.699 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.813 32.242 23.644 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.171 31.411 22.577 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.659 31.928 21.362 1.00 1.00 O ATOM 0 H TYR A 98 -17.128 30.493 28.259 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.830 28.158 26.529 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.850 30.498 26.649 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.597 29.005 25.768 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.361 28.398 23.923 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -16.029 32.317 25.650 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.389 29.392 21.901 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.948 33.311 23.569 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.270 31.280 20.953 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.762 27.358 27.995 1.00 1.00 N ATOM 1585 CA ARG A 99 -13.988 26.669 29.010 1.00 1.00 C ATOM 1586 C ARG A 99 -12.728 26.108 28.368 1.00 1.00 C ATOM 1587 O ARG A 99 -12.677 25.897 27.162 1.00 1.00 O ATOM 1588 CB ARG A 99 -14.849 25.537 29.637 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.147 24.640 30.682 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.107 23.791 31.522 1.00 1.00 C ATOM 1591 NE ARG A 99 -15.815 22.852 30.599 1.00 1.00 N ATOM 1592 CZ ARG A 99 -17.088 22.464 30.741 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -17.817 22.809 31.797 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -17.647 21.706 29.802 1.00 1.00 N ATOM 0 H ARG A 99 -14.666 26.943 27.068 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.701 27.357 29.805 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.721 25.991 30.107 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.216 24.901 28.832 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.449 23.979 30.168 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -13.558 25.270 31.348 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -14.559 23.237 32.284 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.823 24.427 32.043 1.00 1.00 H new ATOM 0 HE ARG A 99 -15.292 22.481 29.806 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -17.409 23.387 32.531 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -18.785 22.496 31.873 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -17.106 21.426 28.984 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -18.616 21.405 29.900 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.654 25.880 29.143 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.405 25.326 28.661 1.00 1.00 C ATOM 1610 C PHE A 100 -10.106 24.045 29.430 1.00 1.00 C ATOM 1611 O PHE A 100 -10.378 23.963 30.626 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.307 26.385 28.898 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.006 26.071 28.226 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.885 26.138 26.829 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.862 25.834 29.002 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.632 25.999 26.216 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.613 25.692 28.392 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.493 25.781 27.001 1.00 1.00 C ATOM 0 H PHE A 100 -11.643 26.085 30.142 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.454 25.082 27.600 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.665 27.351 28.542 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.136 26.484 29.970 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.764 26.298 26.222 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -6.947 25.761 30.076 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.545 26.060 25.141 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.736 25.513 28.997 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.524 25.682 26.534 1.00 1.00 H new ATOM 1628 N SER A 101 -9.562 22.992 28.784 1.00 1.00 N ATOM 1629 CA SER A 101 -9.383 21.714 29.469 1.00 1.00 C ATOM 1630 C SER A 101 -8.102 21.002 29.091 1.00 1.00 C ATOM 1631 O SER A 101 -7.684 20.969 27.937 1.00 1.00 O ATOM 1632 CB SER A 101 -10.560 20.736 29.227 1.00 1.00 C ATOM 1633 OG SER A 101 -10.482 19.596 30.088 1.00 1.00 O ATOM 0 H SER A 101 -9.249 23.008 27.813 1.00 1.00 H new ATOM 0 HA SER A 101 -9.340 21.987 30.523 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.505 21.254 29.393 1.00 1.00 H new ATOM 0 HB3 SER A 101 -10.554 20.409 28.187 1.00 1.00 H new ATOM 0 HG SER A 101 -11.240 19.000 29.911 1.00 1.00 H new ATOM 1639 N THR A 102 -7.450 20.394 30.101 1.00 1.00 N ATOM 1640 CA THR A 102 -6.166 19.710 30.012 1.00 1.00 C ATOM 1641 C THR A 102 -6.327 18.203 29.928 1.00 1.00 C ATOM 1642 O THR A 102 -5.348 17.464 29.832 1.00 1.00 O ATOM 1643 CB THR A 102 -5.306 20.017 31.237 1.00 1.00 C ATOM 1644 OG1 THR A 102 -6.053 19.904 32.445 1.00 1.00 O ATOM 1645 CG2 THR A 102 -4.856 21.477 31.149 1.00 1.00 C ATOM 0 H THR A 102 -7.833 20.371 31.046 1.00 1.00 H new ATOM 0 HA THR A 102 -5.688 20.073 29.102 1.00 1.00 H new ATOM 0 HB THR A 102 -4.475 19.311 31.249 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.473 20.105 33.209 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.239 21.720 32.014 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.277 21.625 30.238 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.731 22.127 31.132 1.00 1.00 H new