USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 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 73 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-4!) USER MOD Set 1.2: A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.49 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.61 USER MOD Single : A 22 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.15) USER MOD Single : A 23 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.723 F(o=-1.9,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0327 (180deg=-0.437) USER MOD Single : A 30 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 133:sc= -0.409 (180deg=-1.92) USER MOD Single : A 36 SER OG : rot 170:sc= -0.379 USER MOD Single : A 38 ASN : amide:sc= -0.0391 K(o=-0.039,f=-1.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 43 MET CE :methyl -150:sc= -0.3 (180deg=-1.97!) USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00375 USER MOD Single : A 50 SER OG : rot -51:sc= 0.772 USER MOD Single : A 53 ASN : amide:sc= 0.407 K(o=0.41,f=-0.096) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.24! C(o=-1.2!,f=-2.8!) USER MOD Single : A 66 MET CE :methyl -150:sc= -0.74 (180deg=-3.32!) USER MOD Single : A 68 SER OG : rot 70:sc= 0.18 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.341 USER MOD Single : A 79 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 82 SER OG : rot -28:sc= 0.751 USER MOD Single : A 84 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-6.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.6!) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.252 (180deg=-1.08) USER MOD Single : A 102 HIS : no HD1:sc= -3.54 X(o=-3.5,f=-3.8!) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.07 (180deg=-0.227) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0661 K(o=-0.066,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.153 5.562 3.973 1.00 0.00 N ATOM 58 CA PRO A 5 17.818 6.361 2.758 1.00 0.00 C ATOM 59 C PRO A 5 16.486 5.902 2.128 1.00 0.00 C ATOM 60 O PRO A 5 15.995 4.832 2.431 1.00 0.00 O ATOM 61 CB PRO A 5 19.015 6.080 1.825 1.00 0.00 C ATOM 62 CG PRO A 5 19.816 4.905 2.415 1.00 0.00 C ATOM 63 CD PRO A 5 19.360 4.689 3.869 1.00 0.00 C ATOM 0 HA PRO A 5 17.675 7.421 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.666 5.837 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.646 6.965 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.652 4.001 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.884 5.119 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.121 3.644 4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.132 4.980 4.582 1.00 0.00 H new ATOM 71 N PRO A 6 15.899 6.704 1.267 1.00 0.00 N ATOM 72 CA PRO A 6 14.603 6.331 0.627 1.00 0.00 C ATOM 73 C PRO A 6 14.680 5.002 -0.142 1.00 0.00 C ATOM 74 O PRO A 6 13.775 4.193 -0.089 1.00 0.00 O ATOM 75 CB PRO A 6 14.341 7.521 -0.319 1.00 0.00 C ATOM 76 CG PRO A 6 15.575 8.443 -0.298 1.00 0.00 C ATOM 77 CD PRO A 6 16.477 8.019 0.872 1.00 0.00 C ATOM 0 HA PRO A 6 13.808 6.164 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.151 7.165 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.454 8.069 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.118 8.372 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.270 9.483 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.520 7.929 0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.445 8.738 1.690 1.00 0.00 H new ATOM 85 N SER A 7 15.745 4.773 -0.856 1.00 0.00 N ATOM 86 CA SER A 7 15.861 3.500 -1.625 1.00 0.00 C ATOM 87 C SER A 7 15.860 2.317 -0.656 1.00 0.00 C ATOM 88 O SER A 7 15.302 1.273 -0.932 1.00 0.00 O ATOM 89 CB SER A 7 17.159 3.506 -2.429 1.00 0.00 C ATOM 90 OG SER A 7 18.261 3.415 -1.538 1.00 0.00 O ATOM 0 H SER A 7 16.538 5.408 -0.942 1.00 0.00 H new ATOM 0 HA SER A 7 15.016 3.408 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.171 2.670 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.229 4.418 -3.022 1.00 0.00 H new ATOM 0 HG SER A 7 19.097 3.417 -2.050 1.00 0.00 H new ATOM 96 N THR A 8 16.479 2.474 0.480 1.00 0.00 N ATOM 97 CA THR A 8 16.511 1.365 1.477 1.00 0.00 C ATOM 98 C THR A 8 15.112 1.168 2.070 1.00 0.00 C ATOM 99 O THR A 8 14.663 0.058 2.268 1.00 0.00 O ATOM 100 CB THR A 8 17.508 1.717 2.585 1.00 0.00 C ATOM 101 OG1 THR A 8 18.813 1.830 2.031 1.00 0.00 O ATOM 102 CG2 THR A 8 17.499 0.635 3.669 1.00 0.00 C ATOM 0 H THR A 8 16.966 3.324 0.763 1.00 0.00 H new ATOM 0 HA THR A 8 16.822 0.439 0.993 1.00 0.00 H new ATOM 0 HB THR A 8 17.219 2.667 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.471 1.898 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.212 0.897 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.500 0.559 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.778 -0.323 3.230 1.00 0.00 H new ATOM 110 N ALA A 9 14.413 2.235 2.344 1.00 0.00 N ATOM 111 CA ALA A 9 13.044 2.099 2.909 1.00 0.00 C ATOM 112 C ALA A 9 12.174 1.339 1.901 1.00 0.00 C ATOM 113 O ALA A 9 11.412 0.462 2.258 1.00 0.00 O ATOM 114 CB ALA A 9 12.462 3.494 3.167 1.00 0.00 C ATOM 0 H ALA A 9 14.731 3.193 2.201 1.00 0.00 H new ATOM 0 HA ALA A 9 13.073 1.551 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.458 3.399 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.097 4.028 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.416 4.048 2.230 1.00 0.00 H new ATOM 120 N LEU A 10 12.295 1.665 0.638 1.00 0.00 N ATOM 121 CA LEU A 10 11.489 0.959 -0.404 1.00 0.00 C ATOM 122 C LEU A 10 11.876 -0.525 -0.426 1.00 0.00 C ATOM 123 O LEU A 10 11.029 -1.396 -0.437 1.00 0.00 O ATOM 124 CB LEU A 10 11.774 1.580 -1.779 1.00 0.00 C ATOM 125 CG LEU A 10 10.904 0.914 -2.860 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.409 1.114 -2.547 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.232 1.541 -4.221 1.00 0.00 C ATOM 0 H LEU A 10 12.918 2.391 0.284 1.00 0.00 H new ATOM 0 HA LEU A 10 10.428 1.057 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.573 2.651 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.829 1.460 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 10 11.115 -0.155 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.808 0.637 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.177 0.667 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.183 2.180 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.620 1.075 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.023 2.610 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.286 1.384 -4.449 1.00 0.00 H new ATOM 139 N ARG A 11 13.151 -0.822 -0.435 1.00 0.00 N ATOM 140 CA ARG A 11 13.580 -2.253 -0.454 1.00 0.00 C ATOM 141 C ARG A 11 13.042 -2.965 0.782 1.00 0.00 C ATOM 142 O ARG A 11 12.538 -4.068 0.709 1.00 0.00 O ATOM 143 CB ARG A 11 15.106 -2.334 -0.451 1.00 0.00 C ATOM 144 CG ARG A 11 15.651 -1.868 -1.800 1.00 0.00 C ATOM 145 CD ARG A 11 17.180 -1.937 -1.778 1.00 0.00 C ATOM 146 NE ARG A 11 17.613 -3.365 -1.737 1.00 0.00 N ATOM 147 CZ ARG A 11 18.857 -3.691 -1.988 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.722 -2.780 -2.339 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.233 -4.939 -1.895 1.00 0.00 N ATOM 0 H ARG A 11 13.909 -0.140 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 11 13.189 -2.730 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.511 -1.714 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.425 -3.357 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.259 -2.495 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.324 -0.849 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.590 -1.447 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.566 -1.404 -0.909 1.00 0.00 H new ATOM 0 HE ARG A 11 16.935 -4.093 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.432 -1.805 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.689 -3.042 -2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.559 -5.656 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.201 -5.196 -2.090 1.00 0.00 H new ATOM 163 N GLU A 12 13.145 -2.339 1.917 1.00 0.00 N ATOM 164 CA GLU A 12 12.638 -2.967 3.165 1.00 0.00 C ATOM 165 C GLU A 12 11.133 -3.189 3.033 1.00 0.00 C ATOM 166 O GLU A 12 10.601 -4.197 3.453 1.00 0.00 O ATOM 167 CB GLU A 12 12.939 -2.043 4.350 1.00 0.00 C ATOM 168 CG GLU A 12 14.444 -2.059 4.633 1.00 0.00 C ATOM 169 CD GLU A 12 14.766 -1.125 5.803 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.884 -0.387 6.209 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.891 -1.166 6.276 1.00 0.00 O ATOM 0 H GLU A 12 13.560 -1.415 2.035 1.00 0.00 H new ATOM 0 HA GLU A 12 13.127 -3.927 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.610 -1.028 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.388 -2.371 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.768 -3.073 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.993 -1.746 3.745 1.00 0.00 H new ATOM 178 N LEU A 13 10.443 -2.245 2.459 1.00 0.00 N ATOM 179 CA LEU A 13 8.974 -2.387 2.301 1.00 0.00 C ATOM 180 C LEU A 13 8.652 -3.474 1.266 1.00 0.00 C ATOM 181 O LEU A 13 7.821 -4.327 1.496 1.00 0.00 O ATOM 182 CB LEU A 13 8.402 -1.039 1.841 1.00 0.00 C ATOM 183 CG LEU A 13 6.881 -1.122 1.660 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.209 -1.501 2.985 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.365 0.244 1.202 1.00 0.00 C ATOM 0 H LEU A 13 10.837 -1.379 2.092 1.00 0.00 H new ATOM 0 HA LEU A 13 8.528 -2.678 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.643 -0.268 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.868 -0.743 0.901 1.00 0.00 H new ATOM 0 HG LEU A 13 6.646 -1.884 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.130 -1.557 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.581 -2.470 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.437 -0.746 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.284 0.199 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.607 0.995 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.836 0.512 0.256 1.00 0.00 H new ATOM 197 N ILE A 14 9.295 -3.454 0.128 1.00 0.00 N ATOM 198 CA ILE A 14 9.002 -4.495 -0.903 1.00 0.00 C ATOM 199 C ILE A 14 9.297 -5.880 -0.336 1.00 0.00 C ATOM 200 O ILE A 14 8.521 -6.800 -0.484 1.00 0.00 O ATOM 201 CB ILE A 14 9.851 -4.257 -2.162 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.356 -2.985 -2.860 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.711 -5.449 -3.123 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.278 -2.638 -4.032 1.00 0.00 C ATOM 0 H ILE A 14 10.004 -2.769 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 14 7.948 -4.432 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 14 10.898 -4.148 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.337 -3.130 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.329 -2.158 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.316 -5.272 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.052 -6.358 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.666 -5.563 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.919 -1.733 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.290 -2.473 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.283 -3.460 -4.747 1.00 0.00 H new ATOM 216 N GLU A 15 10.428 -6.054 0.275 1.00 0.00 N ATOM 217 CA GLU A 15 10.763 -7.396 0.808 1.00 0.00 C ATOM 218 C GLU A 15 9.719 -7.847 1.839 1.00 0.00 C ATOM 219 O GLU A 15 9.330 -8.996 1.870 1.00 0.00 O ATOM 220 CB GLU A 15 12.135 -7.353 1.476 1.00 0.00 C ATOM 221 CG GLU A 15 13.223 -7.163 0.420 1.00 0.00 C ATOM 222 CD GLU A 15 14.587 -7.142 1.111 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.612 -7.228 2.328 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.583 -7.039 0.413 1.00 0.00 O ATOM 0 H GLU A 15 11.131 -5.331 0.428 1.00 0.00 H new ATOM 0 HA GLU A 15 10.771 -8.104 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.172 -6.538 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.309 -8.277 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.183 -7.970 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.062 -6.232 -0.124 1.00 0.00 H new ATOM 231 N GLU A 16 9.281 -6.966 2.700 1.00 0.00 N ATOM 232 CA GLU A 16 8.286 -7.372 3.740 1.00 0.00 C ATOM 233 C GLU A 16 6.919 -7.653 3.108 1.00 0.00 C ATOM 234 O GLU A 16 6.240 -8.591 3.479 1.00 0.00 O ATOM 235 CB GLU A 16 8.160 -6.267 4.787 1.00 0.00 C ATOM 236 CG GLU A 16 7.151 -6.693 5.857 1.00 0.00 C ATOM 237 CD GLU A 16 7.128 -5.659 6.978 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.995 -4.805 6.981 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.249 -5.745 7.819 1.00 0.00 O ATOM 0 H GLU A 16 9.567 -5.987 2.729 1.00 0.00 H new ATOM 0 HA GLU A 16 8.635 -8.288 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.130 -6.071 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.837 -5.339 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.158 -6.790 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.420 -7.671 6.256 1.00 0.00 H new ATOM 246 N LEU A 17 6.506 -6.855 2.166 1.00 0.00 N ATOM 247 CA LEU A 17 5.184 -7.095 1.524 1.00 0.00 C ATOM 248 C LEU A 17 5.189 -8.474 0.870 1.00 0.00 C ATOM 249 O LEU A 17 4.219 -9.201 0.914 1.00 0.00 O ATOM 250 CB LEU A 17 4.943 -6.044 0.442 1.00 0.00 C ATOM 251 CG LEU A 17 4.705 -4.668 1.076 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.713 -3.610 -0.032 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.351 -4.637 1.815 1.00 0.00 C ATOM 0 H LEU A 17 7.023 -6.050 1.813 1.00 0.00 H new ATOM 0 HA LEU A 17 4.400 -7.037 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.802 -5.999 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.081 -6.327 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 17 5.494 -4.463 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.545 -2.625 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.677 -3.622 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.922 -3.829 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.201 -3.652 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.547 -4.844 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.348 -5.393 2.601 1.00 0.00 H new ATOM 265 N VAL A 18 6.276 -8.833 0.251 1.00 0.00 N ATOM 266 CA VAL A 18 6.352 -10.157 -0.423 1.00 0.00 C ATOM 267 C VAL A 18 6.296 -11.277 0.621 1.00 0.00 C ATOM 268 O VAL A 18 5.619 -12.270 0.445 1.00 0.00 O ATOM 269 CB VAL A 18 7.671 -10.246 -1.198 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.843 -11.651 -1.780 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.666 -9.222 -2.336 1.00 0.00 C ATOM 0 H VAL A 18 7.120 -8.264 0.182 1.00 0.00 H new ATOM 0 HA VAL A 18 5.511 -10.267 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 18 8.497 -10.036 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.783 -11.705 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.853 -12.381 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.016 -11.869 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.604 -9.286 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.835 -9.431 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.555 -8.219 -1.923 1.00 0.00 H new ATOM 281 N ASN A 19 7.018 -11.129 1.700 1.00 0.00 N ATOM 282 CA ASN A 19 7.035 -12.194 2.749 1.00 0.00 C ATOM 283 C ASN A 19 5.630 -12.441 3.319 1.00 0.00 C ATOM 284 O ASN A 19 5.256 -13.565 3.579 1.00 0.00 O ATOM 285 CB ASN A 19 7.959 -11.766 3.896 1.00 0.00 C ATOM 286 CG ASN A 19 8.007 -12.878 4.950 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.329 -12.805 5.955 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.784 -13.913 4.762 1.00 0.00 N ATOM 0 H ASN A 19 7.599 -10.315 1.902 1.00 0.00 H new ATOM 0 HA ASN A 19 7.393 -13.114 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.961 -11.566 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.597 -10.840 4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.820 -14.657 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.354 -13.976 3.919 1.00 0.00 H new ATOM 295 N ILE A 20 4.859 -11.411 3.551 1.00 0.00 N ATOM 296 CA ILE A 20 3.499 -11.618 4.143 1.00 0.00 C ATOM 297 C ILE A 20 2.493 -12.118 3.099 1.00 0.00 C ATOM 298 O ILE A 20 1.449 -12.629 3.450 1.00 0.00 O ATOM 299 CB ILE A 20 3.003 -10.307 4.759 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.893 -9.234 3.673 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.999 -9.851 5.825 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.393 -7.922 4.286 1.00 0.00 C ATOM 0 H ILE A 20 5.108 -10.441 3.359 1.00 0.00 H new ATOM 0 HA ILE A 20 3.581 -12.384 4.915 1.00 0.00 H new ATOM 0 HB ILE A 20 2.022 -10.462 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.864 -9.079 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.209 -9.564 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.654 -8.917 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.078 -10.614 6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.976 -9.696 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.317 -7.163 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.413 -8.081 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.093 -7.588 5.052 1.00 0.00 H new ATOM 314 N THR A 21 2.770 -11.971 1.825 1.00 0.00 N ATOM 315 CA THR A 21 1.784 -12.438 0.790 1.00 0.00 C ATOM 316 C THR A 21 2.193 -13.806 0.225 1.00 0.00 C ATOM 317 O THR A 21 1.360 -14.571 -0.219 1.00 0.00 O ATOM 318 CB THR A 21 1.744 -11.437 -0.369 1.00 0.00 C ATOM 319 OG1 THR A 21 3.062 -11.244 -0.861 1.00 0.00 O ATOM 320 CG2 THR A 21 1.167 -10.093 0.090 1.00 0.00 C ATOM 0 H THR A 21 3.625 -11.553 1.457 1.00 0.00 H new ATOM 0 HA THR A 21 0.807 -12.518 1.266 1.00 0.00 H new ATOM 0 HB THR A 21 1.103 -11.835 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.524 -10.580 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.149 -9.399 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.153 -10.240 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.789 -9.683 0.886 1.00 0.00 H new ATOM 328 N GLN A 22 3.459 -14.122 0.222 1.00 0.00 N ATOM 329 CA GLN A 22 3.893 -15.441 -0.338 1.00 0.00 C ATOM 330 C GLN A 22 3.482 -16.591 0.587 1.00 0.00 C ATOM 331 O GLN A 22 3.087 -17.649 0.136 1.00 0.00 O ATOM 332 CB GLN A 22 5.414 -15.452 -0.510 1.00 0.00 C ATOM 333 CG GLN A 22 5.812 -14.536 -1.670 1.00 0.00 C ATOM 334 CD GLN A 22 5.414 -15.192 -2.995 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.886 -16.265 -3.320 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.564 -14.592 -3.780 1.00 0.00 N ATOM 0 H GLN A 22 4.210 -13.531 0.580 1.00 0.00 H new ATOM 0 HA GLN A 22 3.407 -15.578 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.895 -15.119 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.760 -16.468 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.321 -13.568 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.886 -14.352 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.167 -13.692 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.296 -15.022 -4.665 1.00 0.00 H new ATOM 345 N ASN A 23 3.589 -16.405 1.874 1.00 0.00 N ATOM 346 CA ASN A 23 3.225 -17.496 2.835 1.00 0.00 C ATOM 347 C ASN A 23 1.810 -17.274 3.378 1.00 0.00 C ATOM 348 O ASN A 23 1.454 -17.786 4.421 1.00 0.00 O ATOM 349 CB ASN A 23 4.219 -17.485 3.995 1.00 0.00 C ATOM 350 CG ASN A 23 5.595 -17.917 3.486 1.00 0.00 C ATOM 351 OD1 ASN A 23 6.540 -17.155 3.533 1.00 0.00 O ATOM 352 ND2 ASN A 23 5.745 -19.116 2.994 1.00 0.00 N ATOM 0 H ASN A 23 3.914 -15.541 2.308 1.00 0.00 H new ATOM 0 HA ASN A 23 3.258 -18.456 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.276 -16.487 4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.883 -18.158 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.657 -19.415 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.950 -19.754 2.955 1.00 0.00 H new ATOM 359 N GLN A 24 1.003 -16.507 2.692 1.00 0.00 N ATOM 360 CA GLN A 24 -0.382 -16.250 3.192 1.00 0.00 C ATOM 361 C GLN A 24 -1.307 -17.410 2.798 1.00 0.00 C ATOM 362 O GLN A 24 -1.469 -17.720 1.635 1.00 0.00 O ATOM 363 CB GLN A 24 -0.906 -14.929 2.594 1.00 0.00 C ATOM 364 CG GLN A 24 -1.323 -15.122 1.127 1.00 0.00 C ATOM 365 CD GLN A 24 -1.424 -13.759 0.431 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.603 -12.683 1.148 1.00 0.00 O flip ATOM 367 NE2 GLN A 24 -1.340 -13.674 -0.778 1.00 0.00 N flip ATOM 0 H GLN A 24 1.240 -16.049 1.812 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.364 -16.171 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.757 -14.574 3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.133 -14.163 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.596 -15.750 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.282 -15.638 1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.200 -14.514 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.409 -12.763 -1.231 1.00 0.00 H new ATOM 376 N LYS A 25 -1.929 -18.046 3.758 1.00 0.00 N ATOM 377 CA LYS A 25 -2.857 -19.168 3.429 1.00 0.00 C ATOM 378 C LYS A 25 -4.230 -18.574 3.114 1.00 0.00 C ATOM 379 O LYS A 25 -4.620 -18.452 1.970 1.00 0.00 O ATOM 380 CB LYS A 25 -2.972 -20.117 4.629 1.00 0.00 C ATOM 381 CG LYS A 25 -3.853 -21.317 4.265 1.00 0.00 C ATOM 382 CD LYS A 25 -4.000 -22.227 5.488 1.00 0.00 C ATOM 383 CE LYS A 25 -4.824 -23.457 5.114 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.031 -24.306 4.184 1.00 0.00 N ATOM 0 H LYS A 25 -1.834 -17.837 4.752 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.480 -19.728 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.982 -20.460 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.398 -19.588 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.833 -20.975 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.410 -21.870 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.017 -22.531 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.484 -21.686 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.085 -24.022 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.759 -23.155 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.401 -25.278 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.103 -23.925 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.034 -24.310 4.482 1.00 0.00 H new ATOM 398 N ALA A 26 -4.953 -18.177 4.127 1.00 0.00 N ATOM 399 CA ALA A 26 -6.290 -17.563 3.903 1.00 0.00 C ATOM 400 C ALA A 26 -6.073 -16.081 3.552 1.00 0.00 C ATOM 401 O ALA A 26 -5.059 -15.512 3.904 1.00 0.00 O ATOM 402 CB ALA A 26 -7.127 -17.702 5.189 1.00 0.00 C ATOM 0 H ALA A 26 -4.672 -18.253 5.104 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.823 -18.057 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.109 -17.255 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.244 -18.757 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.621 -17.192 6.009 1.00 0.00 H new ATOM 408 N PRO A 27 -6.995 -15.449 2.866 1.00 0.00 N ATOM 409 CA PRO A 27 -6.815 -14.020 2.500 1.00 0.00 C ATOM 410 C PRO A 27 -6.253 -13.187 3.667 1.00 0.00 C ATOM 411 O PRO A 27 -6.273 -13.607 4.807 1.00 0.00 O ATOM 412 CB PRO A 27 -8.245 -13.606 2.115 1.00 0.00 C ATOM 413 CG PRO A 27 -9.057 -14.892 1.853 1.00 0.00 C ATOM 414 CD PRO A 27 -8.264 -16.089 2.416 1.00 0.00 C ATOM 0 HA PRO A 27 -6.089 -13.860 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.702 -13.023 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.233 -12.975 1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.035 -14.827 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.231 -15.020 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.789 -16.573 3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.088 -16.852 1.658 1.00 0.00 H new ATOM 422 N LEU A 28 -5.741 -12.018 3.386 1.00 0.00 N ATOM 423 CA LEU A 28 -5.168 -11.172 4.474 1.00 0.00 C ATOM 424 C LEU A 28 -6.276 -10.777 5.450 1.00 0.00 C ATOM 425 O LEU A 28 -6.023 -10.474 6.599 1.00 0.00 O ATOM 426 CB LEU A 28 -4.533 -9.912 3.866 1.00 0.00 C ATOM 427 CG LEU A 28 -3.276 -10.295 3.064 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.786 -9.081 2.263 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.156 -10.778 4.012 1.00 0.00 C ATOM 0 H LEU A 28 -5.695 -11.613 2.451 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.403 -11.735 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.250 -9.409 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.271 -9.209 4.656 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.530 -11.106 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.896 -9.354 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.569 -8.758 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.545 -8.267 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.275 -11.045 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.901 -9.981 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.501 -11.650 4.568 1.00 0.00 H new ATOM 441 N CYS A 29 -7.508 -10.784 5.011 1.00 0.00 N ATOM 442 CA CYS A 29 -8.630 -10.416 5.928 1.00 0.00 C ATOM 443 C CYS A 29 -9.872 -11.231 5.577 1.00 0.00 C ATOM 444 O CYS A 29 -9.853 -12.079 4.708 1.00 0.00 O ATOM 445 CB CYS A 29 -8.946 -8.926 5.789 1.00 0.00 C ATOM 446 SG CYS A 29 -7.497 -7.960 6.275 1.00 0.00 S ATOM 0 H CYS A 29 -7.786 -11.028 4.060 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.333 -10.629 6.955 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.223 -8.696 4.760 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.799 -8.663 6.415 1.00 0.00 H new ATOM 451 N ASN A 30 -10.953 -10.985 6.260 1.00 0.00 N ATOM 452 CA ASN A 30 -12.201 -11.743 5.983 1.00 0.00 C ATOM 453 C ASN A 30 -12.727 -11.396 4.589 1.00 0.00 C ATOM 454 O ASN A 30 -13.893 -11.096 4.416 1.00 0.00 O ATOM 455 CB ASN A 30 -13.252 -11.377 7.028 1.00 0.00 C ATOM 456 CG ASN A 30 -14.457 -12.302 6.876 1.00 0.00 C ATOM 457 OD1 ASN A 30 -14.313 -13.446 6.492 1.00 0.00 O ATOM 458 ND2 ASN A 30 -15.646 -11.854 7.160 1.00 0.00 N ATOM 0 H ASN A 30 -11.025 -10.288 7.001 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.990 -12.812 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.833 -11.469 8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.558 -10.338 6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.458 -12.463 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.766 -10.894 7.482 1.00 0.00 H new ATOM 465 N GLY A 31 -11.887 -11.435 3.592 1.00 0.00 N ATOM 466 CA GLY A 31 -12.360 -11.111 2.218 1.00 0.00 C ATOM 467 C GLY A 31 -12.678 -9.619 2.128 1.00 0.00 C ATOM 468 O GLY A 31 -13.476 -9.194 1.315 1.00 0.00 O ATOM 0 H GLY A 31 -10.899 -11.676 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.596 -11.376 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.247 -11.698 1.979 1.00 0.00 H new ATOM 472 N SER A 32 -12.069 -8.816 2.957 1.00 0.00 N ATOM 473 CA SER A 32 -12.351 -7.355 2.908 1.00 0.00 C ATOM 474 C SER A 32 -11.956 -6.808 1.539 1.00 0.00 C ATOM 475 O SER A 32 -10.918 -7.143 1.000 1.00 0.00 O ATOM 476 CB SER A 32 -11.546 -6.637 3.985 1.00 0.00 C ATOM 477 OG SER A 32 -11.873 -7.184 5.254 1.00 0.00 O ATOM 0 H SER A 32 -11.392 -9.107 3.662 1.00 0.00 H new ATOM 0 HA SER A 32 -13.415 -7.190 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.479 -6.747 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.765 -5.569 3.968 1.00 0.00 H new ATOM 0 HG SER A 32 -11.357 -6.727 5.950 1.00 0.00 H new ATOM 483 N MET A 33 -12.779 -5.963 0.977 1.00 0.00 N ATOM 484 CA MET A 33 -12.477 -5.369 -0.358 1.00 0.00 C ATOM 485 C MET A 33 -12.177 -3.880 -0.181 1.00 0.00 C ATOM 486 O MET A 33 -12.655 -3.253 0.743 1.00 0.00 O ATOM 487 CB MET A 33 -13.690 -5.548 -1.269 1.00 0.00 C ATOM 488 CG MET A 33 -13.987 -7.042 -1.424 1.00 0.00 C ATOM 489 SD MET A 33 -15.427 -7.269 -2.499 1.00 0.00 S ATOM 490 CE MET A 33 -14.682 -6.662 -4.033 1.00 0.00 C ATOM 0 H MET A 33 -13.659 -5.655 1.392 1.00 0.00 H new ATOM 0 HA MET A 33 -11.614 -5.863 -0.804 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.555 -5.035 -0.848 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.497 -5.100 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.122 -7.553 -1.846 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.176 -7.488 -0.448 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.902 -7.356 -4.844 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.092 -5.681 -4.274 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.602 -6.582 -3.906 1.00 0.00 H new ATOM 500 N VAL A 34 -11.380 -3.315 -1.051 1.00 0.00 N ATOM 501 CA VAL A 34 -11.025 -1.864 -0.939 1.00 0.00 C ATOM 502 C VAL A 34 -11.315 -1.157 -2.268 1.00 0.00 C ATOM 503 O VAL A 34 -11.472 -1.785 -3.296 1.00 0.00 O ATOM 504 CB VAL A 34 -9.533 -1.741 -0.623 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.271 -2.142 0.831 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.747 -2.667 -1.553 1.00 0.00 C ATOM 0 H VAL A 34 -10.955 -3.799 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.616 -1.404 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.217 -0.708 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.207 -2.051 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.833 -1.487 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.586 -3.174 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.682 -2.585 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.071 -3.697 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.927 -2.380 -2.589 1.00 0.00 H new ATOM 516 N TRP A 35 -11.391 0.153 -2.246 1.00 0.00 N ATOM 517 CA TRP A 35 -11.674 0.924 -3.497 1.00 0.00 C ATOM 518 C TRP A 35 -10.448 0.904 -4.407 1.00 0.00 C ATOM 519 O TRP A 35 -9.329 1.061 -3.962 1.00 0.00 O ATOM 520 CB TRP A 35 -11.993 2.378 -3.142 1.00 0.00 C ATOM 521 CG TRP A 35 -13.275 2.441 -2.383 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.374 2.390 -1.037 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.634 2.568 -2.892 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.706 2.474 -0.683 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.524 2.585 -1.792 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.177 2.666 -4.186 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.902 2.697 -1.968 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.565 2.779 -4.366 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.426 2.794 -3.259 1.00 0.00 C ATOM 0 H TRP A 35 -11.268 0.724 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.522 0.468 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.185 2.802 -2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.067 2.976 -4.050 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.546 2.298 -0.350 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -15.045 2.456 0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.523 2.654 -5.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.560 2.709 -1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.972 2.855 -5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.493 2.880 -3.405 1.00 0.00 H new ATOM 540 N SER A 36 -10.653 0.723 -5.682 1.00 0.00 N ATOM 541 CA SER A 36 -9.505 0.705 -6.627 1.00 0.00 C ATOM 542 C SER A 36 -8.944 2.125 -6.772 1.00 0.00 C ATOM 543 O SER A 36 -9.660 3.098 -6.645 1.00 0.00 O ATOM 544 CB SER A 36 -9.984 0.184 -7.983 1.00 0.00 C ATOM 545 OG SER A 36 -10.743 1.193 -8.636 1.00 0.00 O ATOM 0 H SER A 36 -11.569 0.587 -6.110 1.00 0.00 H new ATOM 0 HA SER A 36 -8.718 0.052 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.130 -0.099 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.590 -0.712 -7.847 1.00 0.00 H new ATOM 0 HG SER A 36 -10.913 0.926 -9.563 1.00 0.00 H new ATOM 551 N ILE A 37 -7.666 2.248 -7.030 1.00 0.00 N ATOM 552 CA ILE A 37 -7.037 3.600 -7.182 1.00 0.00 C ATOM 553 C ILE A 37 -6.158 3.616 -8.432 1.00 0.00 C ATOM 554 O ILE A 37 -5.757 2.582 -8.929 1.00 0.00 O ATOM 555 CB ILE A 37 -6.165 3.899 -5.956 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.179 2.744 -5.721 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.050 4.067 -4.720 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.062 3.208 -4.782 1.00 0.00 C ATOM 0 H ILE A 37 -7.024 1.463 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.820 4.353 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.609 4.819 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.700 1.889 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.757 2.414 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.426 4.279 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.744 4.893 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.612 3.149 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.363 2.389 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.535 4.049 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.492 3.517 -3.829 1.00 0.00 H new ATOM 570 N ASN A 38 -5.832 4.777 -8.935 1.00 0.00 N ATOM 571 CA ASN A 38 -4.953 4.839 -10.136 1.00 0.00 C ATOM 572 C ASN A 38 -3.503 4.820 -9.652 1.00 0.00 C ATOM 573 O ASN A 38 -3.118 5.585 -8.789 1.00 0.00 O ATOM 574 CB ASN A 38 -5.223 6.130 -10.914 1.00 0.00 C ATOM 575 CG ASN A 38 -6.626 6.071 -11.526 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.100 5.010 -11.882 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.316 7.171 -11.663 1.00 0.00 N ATOM 0 H ASN A 38 -6.135 5.679 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.148 3.993 -10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.139 6.991 -10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.477 6.258 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.251 7.139 -12.068 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.920 8.062 -11.365 1.00 0.00 H new ATOM 584 N LEU A 39 -2.699 3.933 -10.170 1.00 0.00 N ATOM 585 CA LEU A 39 -1.287 3.850 -9.704 1.00 0.00 C ATOM 586 C LEU A 39 -0.446 4.916 -10.422 1.00 0.00 C ATOM 587 O LEU A 39 -0.370 4.955 -11.635 1.00 0.00 O ATOM 588 CB LEU A 39 -0.727 2.450 -9.999 1.00 0.00 C ATOM 589 CG LEU A 39 -1.384 1.379 -9.091 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.903 1.523 -7.639 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.915 1.492 -9.131 1.00 0.00 C ATOM 0 H LEU A 39 -2.958 3.263 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.247 4.028 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.901 2.199 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.352 2.448 -9.846 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.088 0.401 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.378 0.761 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.179 1.399 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.169 2.511 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.353 0.730 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.216 2.480 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.264 1.346 -10.153 1.00 0.00 H new ATOM 603 N THR A 40 0.174 5.788 -9.667 1.00 0.00 N ATOM 604 CA THR A 40 1.009 6.875 -10.262 1.00 0.00 C ATOM 605 C THR A 40 2.168 7.191 -9.311 1.00 0.00 C ATOM 606 O THR A 40 2.952 6.327 -8.971 1.00 0.00 O ATOM 607 CB THR A 40 0.140 8.122 -10.445 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.360 8.540 -9.181 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.027 7.785 -11.371 1.00 0.00 C ATOM 0 H THR A 40 0.136 5.792 -8.648 1.00 0.00 H new ATOM 0 HA THR A 40 1.406 6.560 -11.227 1.00 0.00 H new ATOM 0 HB THR A 40 0.734 8.925 -10.881 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.915 9.339 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.651 8.668 -11.506 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.642 7.461 -12.338 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.622 6.985 -10.930 1.00 0.00 H new ATOM 617 N ALA A 41 2.280 8.423 -8.874 1.00 0.00 N ATOM 618 CA ALA A 41 3.385 8.804 -7.935 1.00 0.00 C ATOM 619 C ALA A 41 2.821 8.963 -6.520 1.00 0.00 C ATOM 620 O ALA A 41 3.416 8.535 -5.551 1.00 0.00 O ATOM 621 CB ALA A 41 3.986 10.137 -8.381 1.00 0.00 C ATOM 0 H ALA A 41 1.651 9.185 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 41 4.151 8.028 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.790 10.419 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.383 10.037 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.214 10.906 -8.369 1.00 0.00 H new ATOM 627 N GLY A 42 1.673 9.574 -6.398 1.00 0.00 N ATOM 628 CA GLY A 42 1.058 9.765 -5.051 1.00 0.00 C ATOM 629 C GLY A 42 0.407 8.455 -4.605 1.00 0.00 C ATOM 630 O GLY A 42 -0.598 8.451 -3.920 1.00 0.00 O ATOM 0 H GLY A 42 1.132 9.951 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.817 10.071 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.314 10.561 -5.087 1.00 0.00 H new ATOM 634 N MET A 43 0.957 7.344 -5.011 1.00 0.00 N ATOM 635 CA MET A 43 0.354 6.033 -4.635 1.00 0.00 C ATOM 636 C MET A 43 0.368 5.848 -3.123 1.00 0.00 C ATOM 637 O MET A 43 -0.572 5.339 -2.546 1.00 0.00 O ATOM 638 CB MET A 43 1.152 4.900 -5.278 1.00 0.00 C ATOM 639 CG MET A 43 1.116 5.066 -6.790 1.00 0.00 C ATOM 640 SD MET A 43 2.004 3.704 -7.591 1.00 0.00 S ATOM 641 CE MET A 43 3.639 4.030 -6.888 1.00 0.00 C ATOM 0 H MET A 43 1.797 7.287 -5.586 1.00 0.00 H new ATOM 0 HA MET A 43 -0.677 6.015 -4.987 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.182 4.916 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.731 3.935 -4.995 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.083 5.089 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.567 6.018 -7.069 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.408 3.705 -7.589 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.748 5.098 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.748 3.484 -5.951 1.00 0.00 H new ATOM 651 N TYR A 44 1.424 6.235 -2.472 1.00 0.00 N ATOM 652 CA TYR A 44 1.478 6.046 -1.002 1.00 0.00 C ATOM 653 C TYR A 44 0.328 6.825 -0.351 1.00 0.00 C ATOM 654 O TYR A 44 -0.343 6.331 0.533 1.00 0.00 O ATOM 655 CB TYR A 44 2.832 6.527 -0.478 1.00 0.00 C ATOM 656 CG TYR A 44 3.937 5.754 -1.171 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.411 4.553 -0.625 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.485 6.237 -2.369 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.428 3.837 -1.274 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.503 5.522 -3.016 1.00 0.00 C ATOM 661 CZ TYR A 44 5.975 4.322 -2.470 1.00 0.00 C ATOM 662 OH TYR A 44 6.974 3.612 -3.112 1.00 0.00 O ATOM 0 H TYR A 44 2.246 6.671 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 44 1.368 4.991 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.948 7.595 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.891 6.381 0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.992 4.178 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.122 7.161 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.790 2.911 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.924 5.897 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 44 7.240 4.086 -3.927 1.00 0.00 H new ATOM 672 N CYS A 45 0.078 8.029 -0.795 1.00 0.00 N ATOM 673 CA CYS A 45 -1.046 8.821 -0.210 1.00 0.00 C ATOM 674 C CYS A 45 -2.384 8.163 -0.590 1.00 0.00 C ATOM 675 O CYS A 45 -3.201 7.862 0.258 1.00 0.00 O ATOM 676 CB CYS A 45 -1.009 10.252 -0.753 1.00 0.00 C ATOM 677 SG CYS A 45 0.307 11.177 0.076 1.00 0.00 S ATOM 0 H CYS A 45 0.601 8.497 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.944 8.846 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.837 10.240 -1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.970 10.740 -0.589 1.00 0.00 H new ATOM 682 N ALA A 46 -2.610 7.945 -1.864 1.00 0.00 N ATOM 683 CA ALA A 46 -3.892 7.314 -2.313 1.00 0.00 C ATOM 684 C ALA A 46 -4.003 5.899 -1.740 1.00 0.00 C ATOM 685 O ALA A 46 -5.048 5.476 -1.278 1.00 0.00 O ATOM 686 CB ALA A 46 -3.914 7.244 -3.844 1.00 0.00 C ATOM 0 H ALA A 46 -1.960 8.178 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.731 7.913 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.846 6.785 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.840 8.251 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.072 6.646 -4.193 1.00 0.00 H new ATOM 692 N ALA A 47 -2.936 5.157 -1.775 1.00 0.00 N ATOM 693 CA ALA A 47 -2.980 3.771 -1.241 1.00 0.00 C ATOM 694 C ALA A 47 -3.303 3.796 0.251 1.00 0.00 C ATOM 695 O ALA A 47 -4.040 2.969 0.752 1.00 0.00 O ATOM 696 CB ALA A 47 -1.618 3.103 -1.439 1.00 0.00 C ATOM 0 H ALA A 47 -2.034 5.450 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.751 3.213 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.651 2.086 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.378 3.075 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.854 3.671 -0.909 1.00 0.00 H new ATOM 702 N LEU A 48 -2.733 4.718 0.972 1.00 0.00 N ATOM 703 CA LEU A 48 -2.981 4.767 2.437 1.00 0.00 C ATOM 704 C LEU A 48 -4.470 4.964 2.731 1.00 0.00 C ATOM 705 O LEU A 48 -5.044 4.236 3.511 1.00 0.00 O ATOM 706 CB LEU A 48 -2.161 5.917 3.043 1.00 0.00 C ATOM 707 CG LEU A 48 -2.507 6.090 4.528 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.309 4.759 5.269 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.588 7.151 5.140 1.00 0.00 C ATOM 0 H LEU A 48 -2.107 5.438 0.611 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.676 3.821 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.096 5.712 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.365 6.842 2.504 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.547 6.402 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.556 4.889 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.960 4.000 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.270 4.442 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.830 7.277 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.550 6.834 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.729 8.098 4.620 1.00 0.00 H new ATOM 721 N GLU A 49 -5.108 5.925 2.125 1.00 0.00 N ATOM 722 CA GLU A 49 -6.557 6.131 2.416 1.00 0.00 C ATOM 723 C GLU A 49 -7.364 4.880 2.054 1.00 0.00 C ATOM 724 O GLU A 49 -8.352 4.572 2.692 1.00 0.00 O ATOM 725 CB GLU A 49 -7.086 7.344 1.648 1.00 0.00 C ATOM 726 CG GLU A 49 -6.754 7.203 0.166 1.00 0.00 C ATOM 727 CD GLU A 49 -7.421 8.334 -0.620 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.354 8.921 -0.098 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.987 8.591 -1.731 1.00 0.00 O ATOM 0 H GLU A 49 -4.698 6.570 1.449 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.670 6.316 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.164 7.429 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.643 8.258 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.674 7.233 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.099 6.237 -0.204 1.00 0.00 H new ATOM 736 N SER A 50 -6.964 4.147 1.050 1.00 0.00 N ATOM 737 CA SER A 50 -7.735 2.922 0.692 1.00 0.00 C ATOM 738 C SER A 50 -7.634 1.912 1.842 1.00 0.00 C ATOM 739 O SER A 50 -8.590 1.246 2.182 1.00 0.00 O ATOM 740 CB SER A 50 -7.168 2.296 -0.586 1.00 0.00 C ATOM 741 OG SER A 50 -5.829 1.877 -0.357 1.00 0.00 O ATOM 0 H SER A 50 -6.148 4.340 0.469 1.00 0.00 H new ATOM 0 HA SER A 50 -8.778 3.191 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.779 1.446 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.200 3.018 -1.402 1.00 0.00 H new ATOM 0 HG SER A 50 -5.318 2.615 0.036 1.00 0.00 H new ATOM 747 N LEU A 51 -6.481 1.800 2.444 1.00 0.00 N ATOM 748 CA LEU A 51 -6.310 0.833 3.569 1.00 0.00 C ATOM 749 C LEU A 51 -7.074 1.321 4.801 1.00 0.00 C ATOM 750 O LEU A 51 -7.565 0.534 5.587 1.00 0.00 O ATOM 751 CB LEU A 51 -4.820 0.714 3.899 1.00 0.00 C ATOM 752 CG LEU A 51 -4.089 0.036 2.728 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.577 0.138 2.944 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.488 -1.450 2.624 1.00 0.00 C ATOM 0 H LEU A 51 -5.647 2.337 2.205 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.704 -0.140 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.397 1.702 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.684 0.134 4.812 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.370 0.541 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.058 -0.342 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.287 1.187 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.308 -0.358 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.960 -1.911 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.224 -1.963 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.563 -1.528 2.460 1.00 0.00 H new ATOM 766 N ILE A 52 -7.182 2.604 4.977 1.00 0.00 N ATOM 767 CA ILE A 52 -7.915 3.133 6.160 1.00 0.00 C ATOM 768 C ILE A 52 -9.332 2.556 6.167 1.00 0.00 C ATOM 769 O ILE A 52 -10.005 2.550 7.180 1.00 0.00 O ATOM 770 CB ILE A 52 -7.964 4.668 6.077 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.557 5.257 6.298 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.930 5.237 7.120 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.974 4.837 7.659 1.00 0.00 C ATOM 0 H ILE A 52 -6.795 3.312 4.353 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.407 2.843 7.080 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.319 4.944 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.894 4.925 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.604 6.345 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.949 6.324 7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.931 4.843 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.599 4.949 8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.981 5.271 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.624 5.192 8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.903 3.750 7.705 1.00 0.00 H new ATOM 785 N ASN A 53 -9.788 2.065 5.047 1.00 0.00 N ATOM 786 CA ASN A 53 -11.160 1.484 4.989 1.00 0.00 C ATOM 787 C ASN A 53 -11.124 0.033 5.481 1.00 0.00 C ATOM 788 O ASN A 53 -12.144 -0.551 5.789 1.00 0.00 O ATOM 789 CB ASN A 53 -11.668 1.527 3.543 1.00 0.00 C ATOM 790 CG ASN A 53 -11.944 2.977 3.140 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.387 3.470 2.178 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.789 3.684 3.837 1.00 0.00 N ATOM 0 H ASN A 53 -9.270 2.041 4.169 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.829 2.062 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.929 1.087 2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.577 0.933 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.983 4.651 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.256 3.270 4.644 1.00 0.00 H new ATOM 799 N VAL A 54 -9.958 -0.552 5.570 1.00 0.00 N ATOM 800 CA VAL A 54 -9.861 -1.961 6.054 1.00 0.00 C ATOM 801 C VAL A 54 -9.692 -1.961 7.575 1.00 0.00 C ATOM 802 O VAL A 54 -8.810 -1.319 8.111 1.00 0.00 O ATOM 803 CB VAL A 54 -8.661 -2.644 5.398 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.623 -4.117 5.807 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.794 -2.539 3.878 1.00 0.00 C ATOM 0 H VAL A 54 -9.069 -0.115 5.328 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.769 -2.504 5.791 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.741 -2.157 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.767 -4.603 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.534 -4.191 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.541 -4.608 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.941 -3.024 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.714 -3.029 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.822 -1.489 3.587 1.00 0.00 H new ATOM 815 N SER A 55 -10.544 -2.674 8.273 1.00 0.00 N ATOM 816 CA SER A 55 -10.465 -2.727 9.768 1.00 0.00 C ATOM 817 C SER A 55 -10.470 -4.183 10.236 1.00 0.00 C ATOM 818 O SER A 55 -11.085 -5.039 9.630 1.00 0.00 O ATOM 819 CB SER A 55 -11.681 -2.016 10.364 1.00 0.00 C ATOM 820 OG SER A 55 -11.605 -0.628 10.074 1.00 0.00 O ATOM 0 H SER A 55 -11.298 -3.227 7.866 1.00 0.00 H new ATOM 0 HA SER A 55 -9.546 -2.239 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.599 -2.435 9.952 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.715 -2.172 11.442 1.00 0.00 H new ATOM 0 HG SER A 55 -12.384 -0.171 10.454 1.00 0.00 H new ATOM 826 N GLY A 56 -9.798 -4.468 11.320 1.00 0.00 N ATOM 827 CA GLY A 56 -9.769 -5.866 11.845 1.00 0.00 C ATOM 828 C GLY A 56 -8.604 -6.640 11.225 1.00 0.00 C ATOM 829 O GLY A 56 -8.648 -7.848 11.102 1.00 0.00 O ATOM 0 H GLY A 56 -9.266 -3.791 11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.669 -5.852 12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.710 -6.367 11.618 1.00 0.00 H new ATOM 833 N CYS A 57 -7.558 -5.957 10.840 1.00 0.00 N ATOM 834 CA CYS A 57 -6.378 -6.652 10.235 1.00 0.00 C ATOM 835 C CYS A 57 -5.095 -5.996 10.757 1.00 0.00 C ATOM 836 O CYS A 57 -4.617 -5.018 10.213 1.00 0.00 O ATOM 837 CB CYS A 57 -6.433 -6.529 8.710 1.00 0.00 C ATOM 838 SG CYS A 57 -7.981 -7.235 8.097 1.00 0.00 S ATOM 0 H CYS A 57 -7.468 -4.944 10.918 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.392 -7.707 10.508 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.359 -5.482 8.417 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.584 -7.046 8.263 1.00 0.00 H new ATOM 843 N SER A 58 -4.541 -6.522 11.819 1.00 0.00 N ATOM 844 CA SER A 58 -3.295 -5.930 12.390 1.00 0.00 C ATOM 845 C SER A 58 -2.109 -6.169 11.446 1.00 0.00 C ATOM 846 O SER A 58 -1.270 -5.310 11.262 1.00 0.00 O ATOM 847 CB SER A 58 -3.007 -6.572 13.752 1.00 0.00 C ATOM 848 OG SER A 58 -1.880 -5.937 14.345 1.00 0.00 O ATOM 0 H SER A 58 -4.899 -7.338 12.316 1.00 0.00 H new ATOM 0 HA SER A 58 -3.435 -4.856 12.511 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.876 -6.476 14.403 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.815 -7.638 13.631 1.00 0.00 H new ATOM 0 HG SER A 58 -1.695 -6.345 15.217 1.00 0.00 H new ATOM 854 N ALA A 59 -2.028 -7.329 10.856 1.00 0.00 N ATOM 855 CA ALA A 59 -0.889 -7.635 9.938 1.00 0.00 C ATOM 856 C ALA A 59 -0.643 -6.492 8.934 1.00 0.00 C ATOM 857 O ALA A 59 0.461 -6.328 8.454 1.00 0.00 O ATOM 858 CB ALA A 59 -1.201 -8.917 9.163 1.00 0.00 C ATOM 0 H ALA A 59 -2.704 -8.084 10.969 1.00 0.00 H new ATOM 0 HA ALA A 59 0.009 -7.756 10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.374 -9.146 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.339 -9.741 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.113 -8.778 8.582 1.00 0.00 H new ATOM 864 N ILE A 60 -1.647 -5.706 8.597 1.00 0.00 N ATOM 865 CA ILE A 60 -1.431 -4.588 7.604 1.00 0.00 C ATOM 866 C ILE A 60 -1.321 -3.235 8.319 1.00 0.00 C ATOM 867 O ILE A 60 -0.954 -2.244 7.718 1.00 0.00 O ATOM 868 CB ILE A 60 -2.600 -4.552 6.595 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.933 -4.360 7.329 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.651 -5.862 5.803 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.051 -4.094 6.310 1.00 0.00 C ATOM 0 H ILE A 60 -2.597 -5.787 8.960 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.497 -4.774 7.074 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.439 -3.717 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.167 -5.248 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.858 -3.526 8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.478 -5.827 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.715 -5.996 5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.796 -6.697 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.997 -3.958 6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.819 -3.193 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.132 -4.942 5.629 1.00 0.00 H new ATOM 883 N GLU A 61 -1.612 -3.170 9.592 1.00 0.00 N ATOM 884 CA GLU A 61 -1.489 -1.860 10.297 1.00 0.00 C ATOM 885 C GLU A 61 -0.040 -1.372 10.206 1.00 0.00 C ATOM 886 O GLU A 61 0.214 -0.208 9.969 1.00 0.00 O ATOM 887 CB GLU A 61 -1.890 -2.004 11.768 1.00 0.00 C ATOM 888 CG GLU A 61 -3.409 -2.158 11.877 1.00 0.00 C ATOM 889 CD GLU A 61 -3.788 -2.448 13.332 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.888 -2.518 14.154 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.969 -2.593 13.600 1.00 0.00 O ATOM 0 H GLU A 61 -1.924 -3.953 10.166 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.154 -1.138 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.395 -2.870 12.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.562 -1.130 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.903 -1.249 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.751 -2.968 11.232 1.00 0.00 H new ATOM 898 N LYS A 62 0.916 -2.249 10.379 1.00 0.00 N ATOM 899 CA LYS A 62 2.340 -1.812 10.285 1.00 0.00 C ATOM 900 C LYS A 62 2.595 -1.289 8.871 1.00 0.00 C ATOM 901 O LYS A 62 3.252 -0.288 8.675 1.00 0.00 O ATOM 902 CB LYS A 62 3.269 -2.999 10.568 1.00 0.00 C ATOM 903 CG LYS A 62 3.165 -3.392 12.046 1.00 0.00 C ATOM 904 CD LYS A 62 4.075 -4.596 12.324 1.00 0.00 C ATOM 905 CE LYS A 62 3.947 -5.022 13.791 1.00 0.00 C ATOM 906 NZ LYS A 62 4.679 -6.306 13.997 1.00 0.00 N ATOM 0 H LYS A 62 0.774 -3.239 10.579 1.00 0.00 H new ATOM 0 HA LYS A 62 2.536 -1.029 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.998 -3.845 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.298 -2.735 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.454 -2.552 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.133 -3.638 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.804 -5.426 11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.110 -4.339 12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.354 -4.249 14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.897 -5.142 14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.594 -6.598 14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.271 -7.041 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.683 -6.175 13.759 1.00 0.00 H new ATOM 920 N THR A 63 2.061 -1.954 7.884 1.00 0.00 N ATOM 921 CA THR A 63 2.258 -1.498 6.483 1.00 0.00 C ATOM 922 C THR A 63 1.690 -0.079 6.320 1.00 0.00 C ATOM 923 O THR A 63 2.272 0.758 5.662 1.00 0.00 O ATOM 924 CB THR A 63 1.526 -2.462 5.546 1.00 0.00 C ATOM 925 OG1 THR A 63 2.061 -3.768 5.705 1.00 0.00 O ATOM 926 CG2 THR A 63 1.685 -2.011 4.093 1.00 0.00 C ATOM 0 H THR A 63 1.495 -2.796 7.990 1.00 0.00 H new ATOM 0 HA THR A 63 3.320 -1.483 6.240 1.00 0.00 H new ATOM 0 HB THR A 63 0.465 -2.468 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.593 -4.388 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.160 -2.705 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.266 -1.012 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.743 -1.994 3.831 1.00 0.00 H new ATOM 934 N GLN A 64 0.560 0.195 6.921 1.00 0.00 N ATOM 935 CA GLN A 64 -0.053 1.557 6.800 1.00 0.00 C ATOM 936 C GLN A 64 0.907 2.622 7.330 1.00 0.00 C ATOM 937 O GLN A 64 1.171 3.611 6.676 1.00 0.00 O ATOM 938 CB GLN A 64 -1.340 1.604 7.621 1.00 0.00 C ATOM 939 CG GLN A 64 -2.409 0.751 6.941 1.00 0.00 C ATOM 940 CD GLN A 64 -3.701 0.792 7.760 1.00 0.00 C ATOM 941 OE1 GLN A 64 -4.740 0.374 7.291 1.00 0.00 O ATOM 942 NE2 GLN A 64 -3.684 1.285 8.968 1.00 0.00 N ATOM 0 H GLN A 64 0.033 -0.466 7.492 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.265 1.755 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.154 1.236 8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.686 2.633 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.595 1.120 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.061 -0.277 6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.812 1.636 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.543 1.319 9.517 1.00 0.00 H new ATOM 951 N ARG A 65 1.434 2.432 8.507 1.00 0.00 N ATOM 952 CA ARG A 65 2.382 3.438 9.060 1.00 0.00 C ATOM 953 C ARG A 65 3.588 3.518 8.132 1.00 0.00 C ATOM 954 O ARG A 65 4.110 4.579 7.851 1.00 0.00 O ATOM 955 CB ARG A 65 2.824 2.999 10.460 1.00 0.00 C ATOM 956 CG ARG A 65 3.822 4.008 11.038 1.00 0.00 C ATOM 957 CD ARG A 65 4.236 3.567 12.444 1.00 0.00 C ATOM 958 NE ARG A 65 5.069 2.335 12.358 1.00 0.00 N ATOM 959 CZ ARG A 65 5.811 1.980 13.371 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.785 2.677 14.474 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.567 0.920 13.286 1.00 0.00 N ATOM 0 H ARG A 65 1.251 1.628 9.107 1.00 0.00 H new ATOM 0 HA ARG A 65 1.906 4.416 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.956 2.918 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.281 2.010 10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.699 4.078 10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.373 5.000 11.074 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.796 4.363 12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.351 3.378 13.052 1.00 0.00 H new ATOM 0 HE ARG A 65 5.059 1.770 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.185 3.499 14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.365 2.400 15.266 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.578 0.369 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.147 0.642 14.078 1.00 0.00 H new ATOM 975 N MET A 66 4.023 2.392 7.650 1.00 0.00 N ATOM 976 CA MET A 66 5.183 2.364 6.728 1.00 0.00 C ATOM 977 C MET A 66 4.824 3.128 5.448 1.00 0.00 C ATOM 978 O MET A 66 5.622 3.872 4.916 1.00 0.00 O ATOM 979 CB MET A 66 5.511 0.899 6.420 1.00 0.00 C ATOM 980 CG MET A 66 6.059 0.214 7.693 1.00 0.00 C ATOM 981 SD MET A 66 5.542 -1.523 7.725 1.00 0.00 S ATOM 982 CE MET A 66 6.832 -2.183 6.650 1.00 0.00 C ATOM 0 H MET A 66 3.618 1.479 7.859 1.00 0.00 H new ATOM 0 HA MET A 66 6.055 2.840 7.177 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.618 0.381 6.071 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.247 0.841 5.618 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.147 0.280 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.692 0.729 8.581 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.449 -3.050 6.112 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.136 -1.418 5.935 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.691 -2.479 7.252 1.00 0.00 H new ATOM 992 N LEU A 67 3.617 2.974 4.960 1.00 0.00 N ATOM 993 CA LEU A 67 3.211 3.723 3.731 1.00 0.00 C ATOM 994 C LEU A 67 3.190 5.218 4.054 1.00 0.00 C ATOM 995 O LEU A 67 3.577 6.044 3.251 1.00 0.00 O ATOM 996 CB LEU A 67 1.821 3.273 3.256 1.00 0.00 C ATOM 997 CG LEU A 67 1.881 1.840 2.693 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.456 1.296 2.545 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.564 1.834 1.310 1.00 0.00 C ATOM 0 H LEU A 67 2.900 2.366 5.357 1.00 0.00 H new ATOM 0 HA LEU A 67 3.925 3.520 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.115 3.315 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.453 3.956 2.490 1.00 0.00 H new ATOM 0 HG LEU A 67 2.455 1.217 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.493 0.282 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.033 1.286 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.108 1.933 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.599 0.815 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.998 2.462 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.579 2.221 1.404 1.00 0.00 H new ATOM 1011 N SER A 68 2.756 5.570 5.236 1.00 0.00 N ATOM 1012 CA SER A 68 2.722 7.007 5.625 1.00 0.00 C ATOM 1013 C SER A 68 4.143 7.561 5.561 1.00 0.00 C ATOM 1014 O SER A 68 4.367 8.685 5.156 1.00 0.00 O ATOM 1015 CB SER A 68 2.201 7.136 7.056 1.00 0.00 C ATOM 1016 OG SER A 68 0.856 6.680 7.105 1.00 0.00 O ATOM 0 H SER A 68 2.423 4.921 5.949 1.00 0.00 H new ATOM 0 HA SER A 68 2.068 7.559 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.821 6.552 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.258 8.174 7.385 1.00 0.00 H new ATOM 0 HG SER A 68 0.835 5.709 6.977 1.00 0.00 H new ATOM 1022 N GLY A 69 5.107 6.775 5.958 1.00 0.00 N ATOM 1023 CA GLY A 69 6.519 7.250 5.924 1.00 0.00 C ATOM 1024 C GLY A 69 6.809 7.852 4.547 1.00 0.00 C ATOM 1025 O GLY A 69 7.587 8.776 4.412 1.00 0.00 O ATOM 0 H GLY A 69 4.977 5.824 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.685 7.994 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.200 6.422 6.124 1.00 0.00 H new ATOM 1029 N PHE A 70 6.168 7.345 3.526 1.00 0.00 N ATOM 1030 CA PHE A 70 6.375 7.890 2.150 1.00 0.00 C ATOM 1031 C PHE A 70 5.304 8.944 1.865 1.00 0.00 C ATOM 1032 O PHE A 70 5.379 9.669 0.892 1.00 0.00 O ATOM 1033 CB PHE A 70 6.222 6.766 1.119 1.00 0.00 C ATOM 1034 CG PHE A 70 7.432 5.870 1.123 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.470 4.751 1.959 1.00 0.00 C ATOM 1036 CD2 PHE A 70 8.511 6.150 0.275 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.589 3.910 1.951 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.627 5.309 0.263 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.668 4.188 1.102 1.00 0.00 C ATOM 0 H PHE A 70 5.506 6.572 3.586 1.00 0.00 H new ATOM 0 HA PHE A 70 7.373 8.324 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.330 6.181 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.083 7.193 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.636 4.535 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.481 7.016 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.620 3.047 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.458 5.523 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.531 3.539 1.094 1.00 0.00 H new ATOM 1049 N CYS A 71 4.295 9.024 2.696 1.00 0.00 N ATOM 1050 CA CYS A 71 3.204 10.022 2.464 1.00 0.00 C ATOM 1051 C CYS A 71 2.731 10.595 3.814 1.00 0.00 C ATOM 1052 O CYS A 71 1.885 10.006 4.456 1.00 0.00 O ATOM 1053 CB CYS A 71 2.018 9.322 1.755 1.00 0.00 C ATOM 1054 SG CYS A 71 1.885 9.918 0.045 1.00 0.00 S ATOM 0 H CYS A 71 4.179 8.442 3.525 1.00 0.00 H new ATOM 0 HA CYS A 71 3.578 10.834 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.164 8.242 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.091 9.522 2.293 1.00 0.00 H new ATOM 1059 N PRO A 72 3.240 11.734 4.241 1.00 0.00 N ATOM 1060 CA PRO A 72 2.784 12.349 5.528 1.00 0.00 C ATOM 1061 C PRO A 72 1.279 12.666 5.505 1.00 0.00 C ATOM 1062 O PRO A 72 0.840 13.669 6.032 1.00 0.00 O ATOM 1063 CB PRO A 72 3.610 13.649 5.568 1.00 0.00 C ATOM 1064 CG PRO A 72 4.743 13.517 4.542 1.00 0.00 C ATOM 1065 CD PRO A 72 4.302 12.482 3.504 1.00 0.00 C ATOM 0 HA PRO A 72 2.924 11.699 6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.981 14.508 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.016 13.813 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.943 14.477 4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.667 13.203 5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.917 12.951 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.123 11.832 3.202 1.00 0.00 H new ATOM 1073 N HIS A 73 0.497 11.845 4.860 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.963 12.115 4.746 1.00 0.00 C ATOM 1075 C HIS A 73 -1.740 11.459 5.891 1.00 0.00 C ATOM 1076 O HIS A 73 -2.016 10.274 5.870 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.446 11.540 3.394 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.352 12.517 2.703 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.732 12.424 2.768 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -2.078 13.612 1.934 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -4.238 13.444 2.054 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -3.272 14.203 1.521 1.00 0.00 N ATOM 0 H HIS A 73 0.811 10.989 4.402 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.139 13.189 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.588 11.318 2.759 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.973 10.600 3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.089 13.966 1.684 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.294 13.629 1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.385 15.033 0.939 1.00 0.00 H new ATOM 1090 N LYS A 74 -2.138 12.224 6.866 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.940 11.640 7.969 1.00 0.00 C ATOM 1092 C LYS A 74 -4.382 11.545 7.486 1.00 0.00 C ATOM 1093 O LYS A 74 -5.122 12.510 7.517 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.864 12.538 9.198 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.435 12.532 9.729 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.348 13.430 10.959 1.00 0.00 C ATOM 1097 CE LYS A 74 0.081 13.409 11.497 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.137 14.169 12.776 1.00 0.00 N ATOM 0 H LYS A 74 -1.943 13.222 6.946 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.559 10.655 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.166 13.553 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.552 12.185 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.135 11.516 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.748 12.883 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.637 14.449 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.043 13.086 11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.406 12.381 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.762 13.849 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.109 14.156 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.157 15.152 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.502 13.730 13.469 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.783 10.395 7.019 1.00 0.00 N ATOM 1113 CA VAL A 75 -6.173 10.230 6.503 1.00 0.00 C ATOM 1114 C VAL A 75 -7.032 9.562 7.571 1.00 0.00 C ATOM 1115 O VAL A 75 -6.681 8.536 8.122 1.00 0.00 O ATOM 1116 CB VAL A 75 -6.157 9.350 5.244 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.580 9.237 4.645 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -5.213 9.965 4.200 1.00 0.00 C ATOM 0 H VAL A 75 -4.204 9.556 6.972 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.585 11.209 6.257 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.808 8.354 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.551 8.610 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.250 8.791 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.943 10.230 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.202 9.340 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.561 10.965 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.206 10.027 4.612 1.00 0.00 H new ATOM 1128 N SER A 76 -8.169 10.132 7.846 1.00 0.00 N ATOM 1129 CA SER A 76 -9.093 9.541 8.850 1.00 0.00 C ATOM 1130 C SER A 76 -10.193 8.795 8.104 1.00 0.00 C ATOM 1131 O SER A 76 -10.370 8.960 6.912 1.00 0.00 O ATOM 1132 CB SER A 76 -9.713 10.654 9.690 1.00 0.00 C ATOM 1133 OG SER A 76 -10.530 11.464 8.858 1.00 0.00 O ATOM 0 H SER A 76 -8.502 10.993 7.412 1.00 0.00 H new ATOM 0 HA SER A 76 -8.552 8.860 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.306 10.228 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.931 11.257 10.151 1.00 0.00 H new ATOM 0 HG SER A 76 -10.933 12.180 9.392 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.933 7.977 8.789 1.00 0.00 N ATOM 1140 CA ALA A 77 -12.022 7.219 8.116 1.00 0.00 C ATOM 1141 C ALA A 77 -13.026 8.199 7.511 1.00 0.00 C ATOM 1142 O ALA A 77 -13.926 7.810 6.791 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.735 6.342 9.144 1.00 0.00 C ATOM 0 H ALA A 77 -10.833 7.798 9.788 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.599 6.596 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.534 5.785 8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.022 5.644 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.158 6.971 9.928 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.888 9.467 7.808 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.843 10.485 7.266 1.00 0.00 C ATOM 1151 C GLY A 78 -13.192 11.282 6.127 1.00 0.00 C ATOM 1152 O GLY A 78 -13.857 11.687 5.194 1.00 0.00 O ATOM 0 H GLY A 78 -12.152 9.844 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.743 9.990 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.151 11.163 8.062 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.905 11.527 6.190 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.240 12.317 5.098 1.00 0.00 C ATOM 1158 C GLN A 79 -10.760 11.382 3.984 1.00 0.00 C ATOM 1159 O GLN A 79 -10.042 10.435 4.224 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.039 13.083 5.666 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.531 14.183 6.611 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.275 15.252 5.806 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.708 15.873 4.929 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.532 15.490 6.064 1.00 0.00 N ATOM 0 H GLN A 79 -11.289 11.219 6.942 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.964 13.022 4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.379 12.400 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.457 13.520 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.190 13.759 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.687 14.630 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.009 14.969 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.037 16.197 5.530 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.154 11.652 2.760 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.728 10.795 1.604 1.00 0.00 C ATOM 1175 C PHE A 80 -10.174 11.682 0.487 1.00 0.00 C ATOM 1176 O PHE A 80 -10.532 12.837 0.373 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.924 10.011 1.088 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.358 9.015 2.135 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.697 7.786 2.249 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.423 9.318 2.987 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.104 6.860 3.216 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.833 8.393 3.953 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.174 7.163 4.066 1.00 0.00 C ATOM 0 H PHE A 80 -11.757 12.436 2.510 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.954 10.101 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.744 10.690 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.663 9.494 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.873 7.553 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.930 10.267 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.593 5.913 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.657 8.627 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.492 6.447 4.810 1.00 0.00 H new ATOM 1193 N SER A 81 -9.282 11.154 -0.325 1.00 0.00 N ATOM 1194 CA SER A 81 -8.671 11.974 -1.426 1.00 0.00 C ATOM 1195 C SER A 81 -8.947 11.382 -2.817 1.00 0.00 C ATOM 1196 O SER A 81 -9.398 12.074 -3.707 1.00 0.00 O ATOM 1197 CB SER A 81 -7.158 12.010 -1.217 1.00 0.00 C ATOM 1198 OG SER A 81 -6.869 12.622 0.033 1.00 0.00 O ATOM 0 H SER A 81 -8.951 10.191 -0.272 1.00 0.00 H new ATOM 0 HA SER A 81 -9.114 12.969 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.752 10.999 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.681 12.565 -2.025 1.00 0.00 H new ATOM 0 HG SER A 81 -6.000 13.073 -0.017 1.00 0.00 H new ATOM 1204 N SER A 82 -8.628 10.126 -3.035 1.00 0.00 N ATOM 1205 CA SER A 82 -8.817 9.519 -4.399 1.00 0.00 C ATOM 1206 C SER A 82 -10.104 8.687 -4.500 1.00 0.00 C ATOM 1207 O SER A 82 -10.392 8.126 -5.538 1.00 0.00 O ATOM 1208 CB SER A 82 -7.618 8.621 -4.707 1.00 0.00 C ATOM 1209 OG SER A 82 -7.730 8.128 -6.036 1.00 0.00 O ATOM 0 H SER A 82 -8.246 9.495 -2.331 1.00 0.00 H new ATOM 0 HA SER A 82 -8.898 10.335 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.690 9.181 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.579 7.791 -4.001 1.00 0.00 H new ATOM 0 HG SER A 82 -8.676 8.073 -6.286 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.884 8.587 -3.459 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.139 7.772 -3.560 1.00 0.00 C ATOM 1217 C LEU A 83 -13.258 8.637 -4.151 1.00 0.00 C ATOM 1218 O LEU A 83 -14.428 8.366 -3.968 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.555 7.267 -2.171 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.690 6.064 -1.772 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.244 6.516 -1.547 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.238 5.456 -0.479 1.00 0.00 C ATOM 0 H LEU A 83 -10.715 9.025 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.958 6.913 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.445 8.065 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.607 6.983 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.714 5.321 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.634 5.658 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.852 6.952 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.215 7.260 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.627 4.601 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.212 6.203 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.266 5.130 -0.637 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.904 9.671 -4.868 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.940 10.550 -5.485 1.00 0.00 C ATOM 1236 C HIS A 84 -14.509 9.843 -6.710 1.00 0.00 C ATOM 1237 O HIS A 84 -15.627 10.083 -7.124 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.298 11.863 -5.934 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.536 12.469 -4.792 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.642 11.986 -3.500 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.646 13.513 -4.733 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.833 12.729 -2.723 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.203 13.675 -3.424 1.00 0.00 N ATOM 0 H HIS A 84 -11.939 9.945 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.727 10.756 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.629 11.683 -6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.066 12.555 -6.280 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.337 14.116 -5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.708 12.579 -1.661 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.540 14.367 -3.075 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.735 8.976 -7.297 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.207 8.249 -8.502 1.00 0.00 C ATOM 1253 C VAL A 85 -15.167 7.134 -8.081 1.00 0.00 C ATOM 1254 O VAL A 85 -15.049 6.569 -7.012 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.005 7.656 -9.239 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.115 8.786 -9.758 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.194 6.784 -8.281 1.00 0.00 C ATOM 0 H VAL A 85 -12.791 8.740 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.730 8.937 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.360 7.052 -10.074 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.259 8.363 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.686 9.414 -10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.765 9.388 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.338 6.363 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.843 7.390 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.822 5.976 -7.904 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.127 6.823 -8.912 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.109 5.755 -8.564 1.00 0.00 C ATOM 1269 C ARG A 86 -16.611 4.408 -9.083 1.00 0.00 C ATOM 1270 O ARG A 86 -17.309 3.709 -9.792 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.447 6.068 -9.230 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.083 7.288 -8.571 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.415 7.578 -9.259 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.188 7.797 -10.730 1.00 0.00 N ATOM 1275 CZ ARG A 86 -19.398 8.742 -11.177 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -18.900 9.631 -10.364 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -19.139 8.821 -12.453 1.00 0.00 N ATOM 0 H ARG A 86 -16.273 7.265 -9.820 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.225 5.713 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.299 6.254 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.114 5.210 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.239 7.105 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.420 8.150 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.103 6.746 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.879 8.460 -8.817 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.663 7.192 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -19.124 9.595 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.286 10.362 -10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.551 8.148 -13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.524 9.555 -12.804 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.417 4.030 -8.726 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.881 2.720 -9.186 1.00 0.00 C ATOM 1293 C ASP A 87 -15.441 1.622 -8.292 1.00 0.00 C ATOM 1294 O ASP A 87 -16.055 1.888 -7.279 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.353 2.715 -9.098 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.768 3.645 -10.162 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.462 3.921 -11.127 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.634 4.061 -9.996 1.00 0.00 O ATOM 0 H ASP A 87 -14.788 4.573 -8.134 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.175 2.551 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.036 3.038 -8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.975 1.702 -9.240 1.00 0.00 H new ATOM 1303 N THR A 88 -15.243 0.391 -8.653 1.00 0.00 N ATOM 1304 CA THR A 88 -15.772 -0.720 -7.819 1.00 0.00 C ATOM 1305 C THR A 88 -14.715 -1.128 -6.797 1.00 0.00 C ATOM 1306 O THR A 88 -13.561 -0.761 -6.898 1.00 0.00 O ATOM 1307 CB THR A 88 -16.102 -1.917 -8.717 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.922 -2.352 -9.382 1.00 0.00 O ATOM 1309 CG2 THR A 88 -17.150 -1.504 -9.753 1.00 0.00 C ATOM 0 H THR A 88 -14.737 0.103 -9.491 1.00 0.00 H new ATOM 0 HA THR A 88 -16.674 -0.394 -7.302 1.00 0.00 H new ATOM 0 HB THR A 88 -16.495 -2.731 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.133 -3.119 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.385 -2.355 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.055 -1.172 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.758 -0.690 -10.363 1.00 0.00 H new ATOM 1317 N LYS A 89 -15.102 -1.883 -5.808 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.124 -2.320 -4.774 1.00 0.00 C ATOM 1319 C LYS A 89 -13.429 -3.599 -5.252 1.00 0.00 C ATOM 1320 O LYS A 89 -13.992 -4.374 -5.999 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.856 -2.599 -3.457 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.550 -1.329 -2.954 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.271 -1.642 -1.640 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.965 -0.385 -1.117 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.915 -0.763 -0.032 1.00 0.00 N ATOM 0 H LYS A 89 -16.056 -2.217 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.385 -1.535 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.592 -3.390 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.148 -2.956 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.819 -0.535 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.261 -0.969 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.003 -2.434 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.558 -2.008 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.226 0.322 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.499 0.113 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.390 0.090 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.626 -1.423 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.393 -1.220 0.743 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.202 -3.819 -4.836 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.444 -5.041 -5.273 1.00 0.00 C ATOM 1341 C ILE A 90 -10.898 -5.786 -4.043 1.00 0.00 C ATOM 1342 O ILE A 90 -10.807 -5.236 -2.964 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.281 -4.608 -6.177 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.391 -3.599 -5.441 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.832 -3.944 -7.442 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.092 -3.401 -6.223 1.00 0.00 C ATOM 0 H ILE A 90 -11.689 -3.201 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.109 -5.709 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.696 -5.489 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.912 -2.648 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.172 -3.957 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.005 -3.638 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.463 -4.652 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.421 -3.069 -7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.459 -2.684 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.569 -4.354 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.321 -3.024 -7.220 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.546 -7.038 -4.198 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.022 -7.822 -3.038 1.00 0.00 C ATOM 1360 C GLU A 91 -8.689 -7.239 -2.558 1.00 0.00 C ATOM 1361 O GLU A 91 -7.836 -6.873 -3.343 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.809 -9.277 -3.467 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.167 -9.931 -3.724 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.961 -11.327 -4.312 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.814 -11.423 -5.519 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -10.955 -12.276 -3.546 1.00 0.00 O ATOM 0 H GLU A 91 -10.599 -7.551 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.744 -7.773 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.197 -9.317 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.271 -9.822 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.732 -9.997 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.753 -9.319 -4.410 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.508 -7.165 -1.264 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.239 -6.621 -0.696 1.00 0.00 C ATOM 1375 C VAL A 92 -6.051 -7.466 -1.175 1.00 0.00 C ATOM 1376 O VAL A 92 -4.997 -6.957 -1.490 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.330 -6.664 0.836 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.958 -6.365 1.456 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.347 -5.616 1.315 1.00 0.00 C ATOM 0 H VAL A 92 -9.194 -7.462 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.092 -5.593 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.650 -7.659 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.035 -6.398 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.237 -7.110 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.627 -5.374 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.414 -5.644 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.025 -4.624 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.325 -5.835 0.886 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.208 -8.752 -1.228 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.083 -9.612 -1.684 1.00 0.00 C ATOM 1391 C ALA A 93 -4.557 -9.104 -3.036 1.00 0.00 C ATOM 1392 O ALA A 93 -3.363 -9.051 -3.270 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.585 -11.047 -1.837 1.00 0.00 C ATOM 0 H ALA A 93 -7.063 -9.248 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.276 -9.579 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.767 -11.685 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.957 -11.407 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.390 -11.075 -2.572 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.436 -8.724 -3.928 1.00 0.00 N ATOM 1400 CA GLN A 94 -4.983 -8.224 -5.260 1.00 0.00 C ATOM 1401 C GLN A 94 -4.468 -6.794 -5.101 1.00 0.00 C ATOM 1402 O GLN A 94 -3.591 -6.352 -5.816 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.158 -8.250 -6.242 1.00 0.00 C ATOM 1404 CG GLN A 94 -5.690 -7.816 -7.634 1.00 0.00 C ATOM 1405 CD GLN A 94 -6.852 -7.940 -8.624 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -7.823 -8.620 -8.355 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -6.796 -7.304 -9.763 1.00 0.00 N ATOM 0 H GLN A 94 -6.447 -8.739 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.185 -8.859 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.581 -9.253 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.949 -7.586 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.331 -6.787 -7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.854 -8.436 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.981 -6.733 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.567 -7.378 -10.427 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.001 -6.075 -4.154 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.545 -4.677 -3.921 1.00 0.00 C ATOM 1418 C PHE A 95 -3.058 -4.697 -3.599 1.00 0.00 C ATOM 1419 O PHE A 95 -2.274 -3.966 -4.171 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.297 -4.094 -2.724 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.816 -2.691 -2.458 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.710 -2.479 -1.623 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.469 -1.604 -3.044 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.259 -1.179 -1.377 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.017 -0.303 -2.798 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.912 -0.091 -1.964 1.00 0.00 C ATOM 0 H PHE A 95 -5.738 -6.398 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.735 -4.073 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.369 -4.090 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.138 -4.717 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.206 -3.320 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.322 -1.768 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.407 -1.015 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.520 0.538 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.564 0.914 -1.774 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.664 -5.527 -2.679 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.228 -5.593 -2.322 1.00 0.00 C ATOM 1438 C VAL A 96 -0.431 -6.020 -3.545 1.00 0.00 C ATOM 1439 O VAL A 96 0.611 -5.472 -3.844 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.018 -6.625 -1.218 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.459 -6.651 -0.826 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.871 -6.254 -0.008 1.00 0.00 C ATOM 0 H VAL A 96 -3.274 -6.160 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.898 -4.613 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.313 -7.612 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.613 -7.387 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.061 -6.918 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.757 -5.666 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.722 -6.990 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.579 -5.269 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.922 -6.238 -0.295 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.905 -7.009 -4.249 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.159 -7.487 -5.444 1.00 0.00 C ATOM 1454 C LYS A 97 -0.010 -6.357 -6.474 1.00 0.00 C ATOM 1455 O LYS A 97 1.070 -6.086 -6.953 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.907 -8.665 -6.072 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.809 -9.881 -5.150 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.555 -11.062 -5.777 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.473 -12.270 -4.844 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.080 -12.411 -4.332 1.00 0.00 N ATOM 0 H LYS A 97 -1.774 -7.505 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 97 0.836 -7.807 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.952 -8.401 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.483 -8.900 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.236 -10.143 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.234 -9.646 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.597 -10.795 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.120 -11.307 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.167 -12.148 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.769 -13.174 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.105 -13.408 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.591 -12.094 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.036 -11.829 -3.478 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.071 -5.685 -6.825 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.938 -4.586 -7.826 1.00 0.00 C ATOM 1476 C ASP A 98 0.025 -3.523 -7.286 1.00 0.00 C ATOM 1477 O ASP A 98 0.827 -2.972 -8.014 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.307 -3.964 -8.110 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.167 -4.964 -8.889 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.601 -5.880 -9.465 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.377 -4.802 -8.893 1.00 0.00 O ATOM 0 H ASP A 98 -2.013 -5.845 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.543 -4.991 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.798 -3.696 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.189 -3.044 -8.683 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.040 -3.237 -6.015 1.00 0.00 N ATOM 1487 CA LEU A 99 0.882 -2.222 -5.427 1.00 0.00 C ATOM 1488 C LEU A 99 2.324 -2.716 -5.577 1.00 0.00 C ATOM 1489 O LEU A 99 3.236 -1.953 -5.824 1.00 0.00 O ATOM 1490 CB LEU A 99 0.549 -2.020 -3.938 1.00 0.00 C ATOM 1491 CG LEU A 99 1.491 -0.975 -3.312 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.383 0.363 -4.063 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.108 -0.760 -1.841 1.00 0.00 C ATOM 0 H LEU A 99 -0.692 -3.662 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 99 0.765 -1.271 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.486 -1.695 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.642 -2.967 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 99 2.516 -1.340 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.055 1.091 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.659 0.217 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.358 0.730 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.774 -0.021 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.079 -0.405 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.199 -1.702 -1.300 1.00 0.00 H new ATOM 1505 N LEU A 100 2.529 -3.992 -5.410 1.00 0.00 N ATOM 1506 CA LEU A 100 3.905 -4.563 -5.515 1.00 0.00 C ATOM 1507 C LEU A 100 4.532 -4.248 -6.878 1.00 0.00 C ATOM 1508 O LEU A 100 5.701 -3.912 -6.962 1.00 0.00 O ATOM 1509 CB LEU A 100 3.821 -6.082 -5.332 1.00 0.00 C ATOM 1510 CG LEU A 100 5.193 -6.731 -5.535 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.245 -6.052 -4.655 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.093 -8.212 -5.158 1.00 0.00 C ATOM 0 H LEU A 100 1.797 -4.672 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 100 4.532 -4.117 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.449 -6.312 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.108 -6.499 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 100 5.492 -6.622 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.213 -6.527 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.312 -4.996 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.960 -6.149 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.063 -8.689 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.791 -8.302 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.354 -8.700 -5.793 1.00 0.00 H new ATOM 1524 N LEU A 101 3.790 -4.365 -7.947 1.00 0.00 N ATOM 1525 CA LEU A 101 4.396 -4.078 -9.286 1.00 0.00 C ATOM 1526 C LEU A 101 4.868 -2.621 -9.358 1.00 0.00 C ATOM 1527 O LEU A 101 5.960 -2.342 -9.808 1.00 0.00 O ATOM 1528 CB LEU A 101 3.375 -4.338 -10.409 1.00 0.00 C ATOM 1529 CG LEU A 101 3.305 -5.839 -10.734 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.615 -6.320 -11.395 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.054 -6.621 -9.444 1.00 0.00 C ATOM 0 H LEU A 101 2.808 -4.641 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 101 5.251 -4.741 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.392 -3.979 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.656 -3.779 -11.301 1.00 0.00 H new ATOM 0 HG LEU A 101 2.488 -6.011 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.542 -7.385 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.779 -5.768 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.450 -6.147 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.003 -7.686 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.867 -6.436 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.112 -6.298 -9.000 1.00 0.00 H new ATOM 1543 N HIS A 102 4.062 -1.688 -8.938 1.00 0.00 N ATOM 1544 CA HIS A 102 4.496 -0.265 -9.015 1.00 0.00 C ATOM 1545 C HIS A 102 5.637 0.007 -8.032 1.00 0.00 C ATOM 1546 O HIS A 102 6.551 0.739 -8.337 1.00 0.00 O ATOM 1547 CB HIS A 102 3.316 0.676 -8.717 1.00 0.00 C ATOM 1548 CG HIS A 102 2.453 0.801 -9.942 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.706 1.740 -10.932 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.362 0.094 -10.364 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.788 1.568 -11.897 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.940 0.576 -11.601 1.00 0.00 N ATOM 0 H HIS A 102 3.132 -1.845 -8.549 1.00 0.00 H new ATOM 0 HA HIS A 102 4.853 -0.076 -10.027 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.730 0.289 -7.884 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.686 1.657 -8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.897 -0.716 -9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.740 2.158 -12.801 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.154 0.244 -12.160 1.00 0.00 H new ATOM 1560 N LEU A 103 5.593 -0.541 -6.853 1.00 0.00 N ATOM 1561 CA LEU A 103 6.688 -0.240 -5.881 1.00 0.00 C ATOM 1562 C LEU A 103 8.059 -0.572 -6.486 1.00 0.00 C ATOM 1563 O LEU A 103 8.922 0.278 -6.562 1.00 0.00 O ATOM 1564 CB LEU A 103 6.499 -1.055 -4.592 1.00 0.00 C ATOM 1565 CG LEU A 103 5.285 -0.552 -3.791 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.998 -1.539 -2.649 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.566 0.843 -3.202 1.00 0.00 C ATOM 0 H LEU A 103 4.864 -1.172 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 103 6.646 0.824 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.364 -2.108 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.397 -0.985 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 103 4.424 -0.482 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.139 -1.191 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.783 -2.523 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.869 -1.603 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.696 1.182 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.430 0.791 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.771 1.545 -4.010 1.00 0.00 H new ATOM 1579 N LYS A 104 8.290 -1.785 -6.906 1.00 0.00 N ATOM 1580 CA LYS A 104 9.634 -2.113 -7.477 1.00 0.00 C ATOM 1581 C LYS A 104 9.865 -1.343 -8.781 1.00 0.00 C ATOM 1582 O LYS A 104 10.983 -1.199 -9.231 1.00 0.00 O ATOM 1583 CB LYS A 104 9.746 -3.617 -7.735 1.00 0.00 C ATOM 1584 CG LYS A 104 8.844 -4.016 -8.900 1.00 0.00 C ATOM 1585 CD LYS A 104 8.663 -5.536 -8.906 1.00 0.00 C ATOM 1586 CE LYS A 104 7.992 -5.972 -10.208 1.00 0.00 C ATOM 1587 NZ LYS A 104 9.024 -6.088 -11.274 1.00 0.00 N ATOM 0 H LYS A 104 7.621 -2.555 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 104 10.396 -1.818 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.780 -3.880 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.463 -4.170 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.876 -3.524 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.282 -3.687 -9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.631 -6.027 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.057 -5.843 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.487 -6.928 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.231 -5.248 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.670 -6.703 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.232 -5.145 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.892 -6.497 -10.874 1.00 0.00 H new ATOM 1601 N LYS A 105 8.826 -0.864 -9.404 1.00 0.00 N ATOM 1602 CA LYS A 105 9.015 -0.130 -10.685 1.00 0.00 C ATOM 1603 C LYS A 105 9.804 1.164 -10.436 1.00 0.00 C ATOM 1604 O LYS A 105 10.724 1.484 -11.163 1.00 0.00 O ATOM 1605 CB LYS A 105 7.650 0.217 -11.276 1.00 0.00 C ATOM 1606 CG LYS A 105 7.832 0.732 -12.702 1.00 0.00 C ATOM 1607 CD LYS A 105 6.471 1.123 -13.271 1.00 0.00 C ATOM 1608 CE LYS A 105 6.633 1.624 -14.704 1.00 0.00 C ATOM 1609 NZ LYS A 105 5.346 2.214 -15.162 1.00 0.00 N ATOM 0 H LYS A 105 7.861 -0.948 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 105 9.569 -0.760 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.006 -0.663 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.158 0.973 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.503 1.591 -12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.292 -0.036 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.798 0.266 -13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.018 1.899 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.427 2.369 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.924 0.803 -15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.449 2.557 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.600 1.490 -15.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.088 3.008 -14.541 1.00 0.00 H new ATOM 1623 N LEU A 106 9.460 1.913 -9.417 1.00 0.00 N ATOM 1624 CA LEU A 106 10.207 3.181 -9.142 1.00 0.00 C ATOM 1625 C LEU A 106 11.670 2.862 -8.821 1.00 0.00 C ATOM 1626 O LEU A 106 12.554 3.658 -9.070 1.00 0.00 O ATOM 1627 CB LEU A 106 9.566 3.944 -7.969 1.00 0.00 C ATOM 1628 CG LEU A 106 8.330 4.738 -8.447 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.747 5.904 -9.366 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.372 3.808 -9.202 1.00 0.00 C ATOM 0 H LEU A 106 8.701 1.704 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 106 10.162 3.811 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.274 3.242 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.295 4.625 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 106 7.828 5.148 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.859 6.448 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.407 6.579 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.269 5.511 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.503 4.375 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.883 3.384 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.049 3.004 -8.541 1.00 0.00 H new ATOM 1642 N PHE A 107 11.933 1.713 -8.268 1.00 0.00 N ATOM 1643 CA PHE A 107 13.339 1.354 -7.930 1.00 0.00 C ATOM 1644 C PHE A 107 14.183 1.368 -9.206 1.00 0.00 C ATOM 1645 O PHE A 107 15.327 1.774 -9.200 1.00 0.00 O ATOM 1646 CB PHE A 107 13.382 -0.050 -7.318 1.00 0.00 C ATOM 1647 CG PHE A 107 14.802 -0.378 -6.914 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.348 0.212 -5.770 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.570 -1.265 -7.680 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.661 -0.081 -5.389 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.885 -1.560 -7.298 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.430 -0.968 -6.152 1.00 0.00 C ATOM 0 H PHE A 107 11.236 1.006 -8.035 1.00 0.00 H new ATOM 0 HA PHE A 107 13.733 2.075 -7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.724 -0.101 -6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 107 13.018 -0.784 -8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.755 0.895 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.149 -1.721 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.082 0.377 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.478 -2.244 -7.887 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.444 -1.196 -5.857 1.00 0.00 H new ATOM 1662 N ARG A 108 13.632 0.916 -10.298 1.00 0.00 N ATOM 1663 CA ARG A 108 14.412 0.884 -11.567 1.00 0.00 C ATOM 1664 C ARG A 108 14.846 2.305 -11.936 1.00 0.00 C ATOM 1665 O ARG A 108 15.926 2.518 -12.450 1.00 0.00 O ATOM 1666 CB ARG A 108 13.548 0.293 -12.693 1.00 0.00 C ATOM 1667 CG ARG A 108 13.331 -1.203 -12.432 1.00 0.00 C ATOM 1668 CD ARG A 108 12.542 -1.827 -13.591 1.00 0.00 C ATOM 1669 NE ARG A 108 11.964 -3.148 -13.163 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.719 -4.105 -12.690 1.00 0.00 C ATOM 1671 NH1 ARG A 108 14.018 -4.009 -12.741 1.00 0.00 N ATOM 1672 NH2 ARG A 108 12.169 -5.186 -12.206 1.00 0.00 N ATOM 0 H ARG A 108 12.676 0.568 -10.367 1.00 0.00 H new ATOM 0 HA ARG A 108 15.296 0.261 -11.433 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.589 0.809 -12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.036 0.439 -13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.292 -1.705 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.791 -1.343 -11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.743 -1.154 -13.903 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.194 -1.968 -14.453 1.00 0.00 H new ATOM 0 HE ARG A 108 10.959 -3.301 -13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.453 -3.183 -13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.600 -4.760 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.154 -5.282 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.755 -5.935 -11.836 1.00 0.00 H new ATOM 1686 N GLU A 109 14.018 3.278 -11.683 1.00 0.00 N ATOM 1687 CA GLU A 109 14.386 4.681 -12.027 1.00 0.00 C ATOM 1688 C GLU A 109 15.211 5.307 -10.889 1.00 0.00 C ATOM 1689 O GLU A 109 15.841 6.330 -11.066 1.00 0.00 O ATOM 1690 CB GLU A 109 13.097 5.475 -12.235 1.00 0.00 C ATOM 1691 CG GLU A 109 12.365 4.927 -13.462 1.00 0.00 C ATOM 1692 CD GLU A 109 11.065 5.702 -13.672 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.709 6.470 -12.793 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.445 5.513 -14.706 1.00 0.00 O ATOM 0 H GLU A 109 13.101 3.164 -11.252 1.00 0.00 H new ATOM 0 HA GLU A 109 14.989 4.697 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.462 5.399 -11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.324 6.532 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.999 5.014 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.150 3.867 -13.327 1.00 0.00 H new ATOM 1701 N GLY A 110 15.227 4.706 -9.725 1.00 0.00 N ATOM 1702 CA GLY A 110 16.028 5.286 -8.606 1.00 0.00 C ATOM 1703 C GLY A 110 15.405 6.614 -8.162 1.00 0.00 C ATOM 1704 O GLY A 110 15.895 7.269 -7.262 1.00 0.00 O ATOM 0 H GLY A 110 14.724 3.846 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.059 4.589 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 110 17.058 5.445 -8.927 1.00 0.00 H new ATOM 1708 N ARG A 111 14.320 7.014 -8.782 1.00 0.00 N ATOM 1709 CA ARG A 111 13.657 8.301 -8.391 1.00 0.00 C ATOM 1710 C ARG A 111 12.588 7.995 -7.338 1.00 0.00 C ATOM 1711 O ARG A 111 11.493 7.570 -7.646 1.00 0.00 O ATOM 1712 CB ARG A 111 13.016 8.940 -9.633 1.00 0.00 C ATOM 1713 CG ARG A 111 14.121 9.445 -10.569 1.00 0.00 C ATOM 1714 CD ARG A 111 13.500 10.088 -11.814 1.00 0.00 C ATOM 1715 NE ARG A 111 14.579 10.460 -12.778 1.00 0.00 N ATOM 1716 CZ ARG A 111 14.287 10.713 -14.028 1.00 0.00 C ATOM 1717 NH1 ARG A 111 13.055 10.611 -14.444 1.00 0.00 N ATOM 1718 NH2 ARG A 111 15.230 11.068 -14.861 1.00 0.00 N ATOM 0 H ARG A 111 13.865 6.506 -9.541 1.00 0.00 H new ATOM 0 HA ARG A 111 14.387 8.997 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.391 8.212 -10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 111 12.368 9.765 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.746 10.170 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.768 8.618 -10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.802 9.395 -12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.929 10.973 -11.532 1.00 0.00 H new ATOM 0 HE ARG A 111 15.547 10.517 -12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.319 10.334 -13.795 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.828 10.808 -15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 111 16.194 11.148 -14.536 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.002 11.265 -15.835 1.00 0.00 H new ATOM 1732 N PHE A 112 12.923 8.181 -6.087 1.00 0.00 N ATOM 1733 CA PHE A 112 11.964 7.875 -4.982 1.00 0.00 C ATOM 1734 C PHE A 112 11.125 9.110 -4.626 1.00 0.00 C ATOM 1735 O PHE A 112 11.615 10.222 -4.609 1.00 0.00 O ATOM 1736 CB PHE A 112 12.778 7.418 -3.770 1.00 0.00 C ATOM 1737 CG PHE A 112 13.675 6.287 -4.213 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.168 4.988 -4.281 1.00 0.00 C ATOM 1739 CD2 PHE A 112 15.006 6.539 -4.576 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.988 3.939 -4.709 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.826 5.486 -5.003 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.315 4.187 -5.069 1.00 0.00 C ATOM 0 H PHE A 112 13.829 8.535 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 112 11.273 7.092 -5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.371 8.243 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.117 7.089 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.143 4.793 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.399 7.544 -4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.594 2.935 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.852 5.678 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.946 3.375 -5.398 1.00 0.00 H new ATOM 1752 N ASN A 113 9.860 8.921 -4.342 1.00 0.00 N ATOM 1753 CA ASN A 113 8.987 10.079 -3.987 1.00 0.00 C ATOM 1754 C ASN A 113 9.177 11.203 -5.006 1.00 0.00 C ATOM 1755 CB ASN A 113 9.349 10.597 -2.594 1.00 0.00 C ATOM 1756 CG ASN A 113 8.895 9.589 -1.539 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.936 8.871 -1.740 1.00 0.00 O ATOM 1758 ND2 ASN A 113 9.547 9.505 -0.413 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.778 10.948 -6.036 1.00 0.00 O ATOM 0 H ASN A 113 9.395 8.013 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 113 7.947 9.751 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.425 10.755 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.873 11.562 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.252 8.837 0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.352 10.108 -0.244 1.00 0.00 H new