USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 MET CE :methyl 167:sc= -5.04 (180deg=-5.3!) USER MOD Set 1.2: A 103 THR OG1 : rot -130:sc= -3.82! USER MOD Set 2.1: A 51 THR OG1 : rot 101:sc= 0.0239 USER MOD Set 2.2: A 97 MET CE :methyl 172:sc= -1.13 (180deg=-1.22) USER MOD Set 3.1: A 59 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 3.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -3.29 K(o=-3.3,f=-5.6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 23 SER OG : rot 49:sc= 0.145 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 32 THR OG1 : rot 116:sc= -0.0483 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.256 (180deg=-0.458) USER MOD Single : A 38 HIS : no HD1:sc= -4.76! K(o=-4.8!,f=-3.8) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 44 THR OG1 : rot -27:sc= 0.0767 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.731 K(o=0.73,f=-5.3!) USER MOD Single : A 58 MET CE :methyl -137:sc= -7.01! (180deg=-11.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0324) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.159 K(o=-0.16,f=-3.3!) USER MOD Single : A 78 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -8.05! C(o=-8!,f=-7!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.286 USER MOD Single : A 92 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.24) USER MOD Single : A 93 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 99 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.23) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.14) USER MOD Single : A 106 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.99) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 120:sc= -3.65 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -1.78 (180deg=-3.73!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.811 -13.381 -7.015 1.00 0.00 N ATOM 29 CA HIS A 3 -2.349 -12.137 -7.624 1.00 0.00 C ATOM 30 C HIS A 3 -3.522 -11.206 -7.933 1.00 0.00 C ATOM 31 O HIS A 3 -3.425 -10.346 -8.807 1.00 0.00 O ATOM 32 CB HIS A 3 -1.575 -12.439 -8.908 1.00 0.00 C ATOM 33 CG HIS A 3 -0.205 -12.992 -8.665 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.347 -13.996 -9.431 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.726 -12.674 -7.736 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.559 -14.274 -8.982 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.813 -13.485 -7.954 1.00 0.00 N ATOM 0 HA HIS A 3 -1.692 -11.636 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.144 -13.150 -9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.490 -11.524 -9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.632 -11.922 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.227 -15.019 -9.387 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.676 -13.479 -7.410 1.00 0.00 H new ATOM 46 N SER A 4 -4.630 -11.377 -7.214 1.00 0.00 N ATOM 47 CA SER A 4 -5.809 -10.543 -7.420 1.00 0.00 C ATOM 48 C SER A 4 -6.686 -10.509 -6.173 1.00 0.00 C ATOM 49 O SER A 4 -6.836 -11.510 -5.473 1.00 0.00 O ATOM 50 CB SER A 4 -6.621 -11.033 -8.620 1.00 0.00 C ATOM 51 OG SER A 4 -6.780 -12.441 -8.590 1.00 0.00 O ATOM 0 H SER A 4 -4.734 -12.084 -6.486 1.00 0.00 H new ATOM 0 HA SER A 4 -5.462 -9.530 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.600 -10.554 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.122 -10.740 -9.544 1.00 0.00 H new ATOM 0 HG SER A 4 -7.304 -12.728 -9.367 1.00 0.00 H new ATOM 57 N GLY A 5 -7.255 -9.340 -5.906 1.00 0.00 N ATOM 58 CA GLY A 5 -8.110 -9.158 -4.751 1.00 0.00 C ATOM 59 C GLY A 5 -8.712 -7.773 -4.744 1.00 0.00 C ATOM 60 O GLY A 5 -8.045 -6.810 -5.107 1.00 0.00 O ATOM 0 H GLY A 5 -7.136 -8.504 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.904 -9.905 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.535 -9.314 -3.838 1.00 0.00 H new ATOM 64 N ALA A 6 -9.975 -7.668 -4.366 1.00 0.00 N ATOM 65 CA ALA A 6 -10.651 -6.379 -4.360 1.00 0.00 C ATOM 66 C ALA A 6 -10.345 -5.565 -3.105 1.00 0.00 C ATOM 67 O ALA A 6 -10.274 -6.102 -1.999 1.00 0.00 O ATOM 68 CB ALA A 6 -12.141 -6.580 -4.541 1.00 0.00 C ATOM 0 H ALA A 6 -10.551 -8.453 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.268 -5.797 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.642 -5.612 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.328 -7.080 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.527 -7.193 -3.726 1.00 0.00 H new ATOM 74 N ALA A 7 -10.157 -4.260 -3.301 1.00 0.00 N ATOM 75 CA ALA A 7 -9.847 -3.344 -2.206 1.00 0.00 C ATOM 76 C ALA A 7 -10.410 -1.949 -2.481 1.00 0.00 C ATOM 77 O ALA A 7 -10.896 -1.673 -3.576 1.00 0.00 O ATOM 78 CB ALA A 7 -8.343 -3.277 -1.991 1.00 0.00 C ATOM 0 H ALA A 7 -10.215 -3.812 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.317 -3.723 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.123 -2.592 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.966 -4.270 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.861 -2.922 -2.902 1.00 0.00 H new ATOM 84 N ILE A 8 -10.349 -1.074 -1.476 1.00 0.00 N ATOM 85 CA ILE A 8 -10.864 0.289 -1.614 1.00 0.00 C ATOM 86 C ILE A 8 -9.740 1.302 -1.811 1.00 0.00 C ATOM 87 O ILE A 8 -8.795 1.356 -1.025 1.00 0.00 O ATOM 88 CB ILE A 8 -11.679 0.724 -0.371 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.860 -0.226 -0.082 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.182 2.154 -0.539 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.103 -1.289 -1.133 1.00 0.00 C ATOM 0 H ILE A 8 -9.950 -1.284 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.508 0.274 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.007 0.676 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.685 -0.717 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.767 0.369 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.753 2.445 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.333 2.827 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.820 2.214 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.953 -1.905 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.315 -0.813 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.216 -1.916 -1.228 1.00 0.00 H new ATOM 103 N PHE A 9 -9.868 2.127 -2.846 1.00 0.00 N ATOM 104 CA PHE A 9 -8.878 3.164 -3.117 1.00 0.00 C ATOM 105 C PHE A 9 -9.544 4.524 -3.305 1.00 0.00 C ATOM 106 O PHE A 9 -10.224 4.764 -4.303 1.00 0.00 O ATOM 107 CB PHE A 9 -8.045 2.829 -4.354 1.00 0.00 C ATOM 108 CG PHE A 9 -6.881 3.763 -4.549 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.088 5.094 -4.876 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.581 3.309 -4.403 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.019 5.952 -5.055 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.509 4.163 -4.580 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.729 5.486 -4.906 1.00 0.00 C ATOM 0 H PHE A 9 -10.644 2.098 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.217 3.209 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.674 1.808 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.684 2.864 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.096 5.465 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.403 2.275 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.194 6.987 -5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.500 3.796 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.893 6.155 -5.044 1.00 0.00 H new ATOM 123 N GLU A 10 -9.325 5.412 -2.342 1.00 0.00 N ATOM 124 CA GLU A 10 -9.874 6.768 -2.382 1.00 0.00 C ATOM 125 C GLU A 10 -11.395 6.772 -2.249 1.00 0.00 C ATOM 126 O GLU A 10 -12.091 7.445 -3.009 1.00 0.00 O ATOM 127 CB GLU A 10 -9.460 7.477 -3.675 1.00 0.00 C ATOM 128 CG GLU A 10 -8.002 7.909 -3.690 1.00 0.00 C ATOM 129 CD GLU A 10 -7.750 9.138 -2.840 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.908 9.047 -1.603 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.394 10.192 -3.408 1.00 0.00 O ATOM 0 H GLU A 10 -8.764 5.216 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.464 7.307 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.642 6.812 -4.519 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.092 8.354 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.380 7.089 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.698 8.113 -4.717 1.00 0.00 H new ATOM 138 N LYS A 11 -11.902 6.030 -1.270 1.00 0.00 N ATOM 139 CA LYS A 11 -13.341 5.956 -1.021 1.00 0.00 C ATOM 140 C LYS A 11 -14.074 5.148 -2.094 1.00 0.00 C ATOM 141 O LYS A 11 -15.271 4.894 -1.970 1.00 0.00 O ATOM 142 CB LYS A 11 -13.943 7.361 -0.931 1.00 0.00 C ATOM 143 CG LYS A 11 -13.144 8.313 -0.055 1.00 0.00 C ATOM 144 CD LYS A 11 -13.692 8.356 1.362 1.00 0.00 C ATOM 145 CE LYS A 11 -13.306 9.646 2.069 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.055 9.493 2.861 1.00 0.00 N ATOM 0 H LYS A 11 -11.337 5.469 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.472 5.441 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.017 7.780 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.958 7.288 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.100 8.000 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.168 9.314 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.778 8.265 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.314 7.503 1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.174 10.438 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.117 9.955 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.827 10.394 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.188 8.755 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.275 9.223 2.229 1.00 0.00 H new ATOM 160 N VAL A 12 -13.362 4.738 -3.142 1.00 0.00 N ATOM 161 CA VAL A 12 -13.970 3.958 -4.204 1.00 0.00 C ATOM 162 C VAL A 12 -13.669 2.487 -4.019 1.00 0.00 C ATOM 163 O VAL A 12 -12.616 2.115 -3.502 1.00 0.00 O ATOM 164 CB VAL A 12 -13.490 4.418 -5.597 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.749 3.353 -6.658 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.183 5.710 -5.964 1.00 0.00 C ATOM 0 H VAL A 12 -12.370 4.934 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.047 4.117 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.413 4.580 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.399 3.711 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.216 2.440 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.818 3.146 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.846 6.037 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.261 5.552 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.943 6.474 -5.225 1.00 0.00 H new ATOM 176 N SER A 13 -14.598 1.655 -4.446 1.00 0.00 N ATOM 177 CA SER A 13 -14.427 0.220 -4.323 1.00 0.00 C ATOM 178 C SER A 13 -14.247 -0.428 -5.686 1.00 0.00 C ATOM 179 O SER A 13 -15.162 -0.437 -6.509 1.00 0.00 O ATOM 180 CB SER A 13 -15.615 -0.406 -3.599 1.00 0.00 C ATOM 181 OG SER A 13 -16.156 0.484 -2.637 1.00 0.00 O ATOM 0 H SER A 13 -15.475 1.945 -4.879 1.00 0.00 H new ATOM 0 HA SER A 13 -13.526 0.043 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.384 -0.675 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.301 -1.328 -3.109 1.00 0.00 H new ATOM 0 HG SER A 13 -16.917 0.059 -2.189 1.00 0.00 H new ATOM 187 N GLY A 14 -13.061 -0.970 -5.913 1.00 0.00 N ATOM 188 CA GLY A 14 -12.771 -1.620 -7.171 1.00 0.00 C ATOM 189 C GLY A 14 -12.123 -2.971 -6.977 1.00 0.00 C ATOM 190 O GLY A 14 -12.568 -3.769 -6.153 1.00 0.00 O ATOM 0 H GLY A 14 -12.291 -0.971 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.694 -1.739 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.113 -0.985 -7.764 1.00 0.00 H new ATOM 194 N ILE A 15 -11.064 -3.226 -7.732 1.00 0.00 N ATOM 195 CA ILE A 15 -10.345 -4.483 -7.641 1.00 0.00 C ATOM 196 C ILE A 15 -8.849 -4.262 -7.641 1.00 0.00 C ATOM 197 O ILE A 15 -8.322 -3.529 -8.472 1.00 0.00 O ATOM 198 CB ILE A 15 -10.666 -5.423 -8.821 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.173 -5.458 -9.097 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.125 -6.823 -8.541 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.011 -5.835 -7.897 1.00 0.00 C ATOM 0 H ILE A 15 -10.684 -2.573 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.668 -4.939 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.176 -5.038 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.489 -4.478 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.368 -6.168 -9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.358 -7.478 -9.381 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.044 -6.775 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.586 -7.217 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.065 -5.837 -8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.725 -6.828 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.848 -5.112 -7.098 1.00 0.00 H new ATOM 213 N ILE A 16 -8.162 -4.954 -6.751 1.00 0.00 N ATOM 214 CA ILE A 16 -6.719 -4.884 -6.699 1.00 0.00 C ATOM 215 C ILE A 16 -6.212 -6.121 -7.399 1.00 0.00 C ATOM 216 O ILE A 16 -6.795 -7.195 -7.260 1.00 0.00 O ATOM 217 CB ILE A 16 -6.163 -4.829 -5.249 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.640 -3.430 -4.928 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.051 -5.854 -5.046 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.041 -3.317 -3.541 1.00 0.00 C ATOM 0 H ILE A 16 -8.583 -5.570 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.383 -3.964 -7.178 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.982 -5.069 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.886 -3.154 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.456 -2.714 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.682 -5.792 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.441 -6.855 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.235 -5.648 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.689 -2.298 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.798 -3.563 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.204 -4.009 -3.449 1.00 0.00 H new ATOM 232 N ALA A 17 -5.163 -5.982 -8.175 1.00 0.00 N ATOM 233 CA ALA A 17 -4.657 -7.126 -8.899 1.00 0.00 C ATOM 234 C ALA A 17 -3.160 -7.030 -9.123 1.00 0.00 C ATOM 235 O ALA A 17 -2.660 -6.101 -9.756 1.00 0.00 O ATOM 236 CB ALA A 17 -5.430 -7.291 -10.197 1.00 0.00 C ATOM 0 H ALA A 17 -4.653 -5.111 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.811 -8.022 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.047 -8.154 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.486 -7.442 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.312 -6.396 -10.807 1.00 0.00 H new ATOM 242 N ILE A 18 -2.459 -8.004 -8.566 1.00 0.00 N ATOM 243 CA ILE A 18 -1.012 -8.070 -8.645 1.00 0.00 C ATOM 244 C ILE A 18 -0.538 -8.665 -9.964 1.00 0.00 C ATOM 245 O ILE A 18 -1.141 -9.597 -10.495 1.00 0.00 O ATOM 246 CB ILE A 18 -0.446 -8.911 -7.489 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.035 -8.439 -6.157 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.072 -8.843 -7.474 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.379 -9.063 -4.947 1.00 0.00 C ATOM 0 H ILE A 18 -2.881 -8.773 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.647 -7.045 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.731 -9.953 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.940 -7.355 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.101 -8.668 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.455 -9.444 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.463 -9.228 -8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.389 -7.808 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.849 -8.681 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.496 -10.146 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.682 -8.813 -4.939 1.00 0.00 H new ATOM 261 N ASN A 19 0.562 -8.125 -10.474 1.00 0.00 N ATOM 262 CA ASN A 19 1.145 -8.602 -11.717 1.00 0.00 C ATOM 263 C ASN A 19 2.567 -9.095 -11.472 1.00 0.00 C ATOM 264 O ASN A 19 3.517 -8.320 -11.514 1.00 0.00 O ATOM 265 CB ASN A 19 1.148 -7.491 -12.769 1.00 0.00 C ATOM 266 CG ASN A 19 0.855 -8.012 -14.162 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.213 -7.756 -14.721 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.803 -8.748 -14.730 1.00 0.00 N ATOM 0 H ASN A 19 1.069 -7.353 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 19 0.541 -9.430 -12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.405 -6.739 -12.502 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.119 -6.995 -12.766 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.662 -9.127 -15.667 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.672 -8.935 -14.230 1.00 0.00 H new ATOM 275 N GLU A 20 2.701 -10.387 -11.207 1.00 0.00 N ATOM 276 CA GLU A 20 4.006 -10.985 -10.946 1.00 0.00 C ATOM 277 C GLU A 20 4.738 -11.313 -12.248 1.00 0.00 C ATOM 278 O GLU A 20 5.859 -11.820 -12.226 1.00 0.00 O ATOM 279 CB GLU A 20 3.850 -12.251 -10.101 1.00 0.00 C ATOM 280 CG GLU A 20 4.881 -12.372 -8.991 1.00 0.00 C ATOM 281 CD GLU A 20 5.148 -13.811 -8.599 1.00 0.00 C ATOM 282 OE1 GLU A 20 4.209 -14.480 -8.116 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.295 -14.272 -8.773 1.00 0.00 O ATOM 0 H GLU A 20 1.921 -11.044 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 20 4.602 -10.257 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.852 -12.264 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.924 -13.123 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.813 -11.908 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.536 -11.819 -8.117 1.00 0.00 H new ATOM 290 N ASP A 21 4.099 -11.024 -13.380 1.00 0.00 N ATOM 291 CA ASP A 21 4.697 -11.288 -14.683 1.00 0.00 C ATOM 292 C ASP A 21 5.641 -10.163 -15.099 1.00 0.00 C ATOM 293 O ASP A 21 6.222 -10.200 -16.184 1.00 0.00 O ATOM 294 CB ASP A 21 3.603 -11.459 -15.736 1.00 0.00 C ATOM 295 CG ASP A 21 4.079 -12.244 -16.943 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.443 -13.427 -16.777 1.00 0.00 O ATOM 297 OD2 ASP A 21 4.088 -11.675 -18.055 1.00 0.00 O ATOM 0 H ASP A 21 3.169 -10.608 -13.419 1.00 0.00 H new ATOM 0 HA ASP A 21 5.276 -12.208 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.749 -11.968 -15.289 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.256 -10.477 -16.058 1.00 0.00 H new ATOM 302 N VAL A 22 5.794 -9.163 -14.235 1.00 0.00 N ATOM 303 CA VAL A 22 6.670 -8.032 -14.525 1.00 0.00 C ATOM 304 C VAL A 22 7.989 -8.159 -13.767 1.00 0.00 C ATOM 305 O VAL A 22 8.338 -9.235 -13.285 1.00 0.00 O ATOM 306 CB VAL A 22 6.016 -6.669 -14.189 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.815 -5.841 -15.448 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.708 -6.868 -13.474 1.00 0.00 C ATOM 0 H VAL A 22 5.324 -9.113 -13.331 1.00 0.00 H new ATOM 0 HA VAL A 22 6.856 -8.058 -15.599 1.00 0.00 H new ATOM 0 HB VAL A 22 6.690 -6.125 -13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.354 -4.888 -15.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.780 -5.660 -15.922 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.167 -6.380 -16.139 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.266 -5.898 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.029 -7.437 -14.109 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.880 -7.414 -12.546 1.00 0.00 H new ATOM 318 N SER A 23 8.710 -7.050 -13.662 1.00 0.00 N ATOM 319 CA SER A 23 9.984 -7.027 -12.959 1.00 0.00 C ATOM 320 C SER A 23 10.519 -5.599 -12.875 1.00 0.00 C ATOM 321 O SER A 23 11.067 -5.080 -13.847 1.00 0.00 O ATOM 322 CB SER A 23 10.998 -7.926 -13.666 1.00 0.00 C ATOM 323 OG SER A 23 10.977 -7.717 -15.067 1.00 0.00 O ATOM 0 H SER A 23 8.432 -6.152 -14.057 1.00 0.00 H new ATOM 0 HA SER A 23 9.827 -7.403 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.998 -7.725 -13.280 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.776 -8.971 -13.448 1.00 0.00 H new ATOM 0 HG SER A 23 11.028 -6.757 -15.255 1.00 0.00 H new ATOM 329 N PRO A 24 10.362 -4.935 -11.715 1.00 0.00 N ATOM 330 CA PRO A 24 9.714 -5.515 -10.528 1.00 0.00 C ATOM 331 C PRO A 24 8.204 -5.664 -10.693 1.00 0.00 C ATOM 332 O PRO A 24 7.607 -5.089 -11.604 1.00 0.00 O ATOM 333 CB PRO A 24 10.028 -4.504 -9.428 1.00 0.00 C ATOM 334 CG PRO A 24 10.209 -3.212 -10.142 1.00 0.00 C ATOM 335 CD PRO A 24 10.819 -3.554 -11.472 1.00 0.00 C ATOM 0 HA PRO A 24 10.075 -6.523 -10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.217 -4.445 -8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.928 -4.783 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.255 -2.701 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.857 -2.542 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.481 -2.876 -12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.907 -3.490 -11.443 1.00 0.00 H new ATOM 343 N ALA A 25 7.593 -6.442 -9.803 1.00 0.00 N ATOM 344 CA ALA A 25 6.151 -6.671 -9.844 1.00 0.00 C ATOM 345 C ALA A 25 5.377 -5.370 -9.742 1.00 0.00 C ATOM 346 O ALA A 25 5.954 -4.301 -9.547 1.00 0.00 O ATOM 347 CB ALA A 25 5.722 -7.596 -8.718 1.00 0.00 C ATOM 0 H ALA A 25 8.074 -6.925 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 25 5.928 -7.136 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.645 -7.753 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.233 -8.553 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.980 -7.146 -7.759 1.00 0.00 H new ATOM 353 N GLU A 26 4.059 -5.474 -9.860 1.00 0.00 N ATOM 354 CA GLU A 26 3.197 -4.308 -9.764 1.00 0.00 C ATOM 355 C GLU A 26 1.747 -4.715 -9.531 1.00 0.00 C ATOM 356 O GLU A 26 1.251 -5.658 -10.148 1.00 0.00 O ATOM 357 CB GLU A 26 3.307 -3.455 -11.030 1.00 0.00 C ATOM 358 CG GLU A 26 2.750 -4.130 -12.273 1.00 0.00 C ATOM 359 CD GLU A 26 3.360 -3.592 -13.551 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.595 -3.413 -13.590 1.00 0.00 O ATOM 361 OE2 GLU A 26 2.602 -3.351 -14.516 1.00 0.00 O ATOM 0 H GLU A 26 3.567 -6.353 -10.022 1.00 0.00 H new ATOM 0 HA GLU A 26 3.527 -3.717 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.779 -2.515 -10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.355 -3.207 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.932 -5.203 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.669 -3.991 -12.304 1.00 0.00 H new ATOM 368 N LEU A 27 1.063 -3.988 -8.654 1.00 0.00 N ATOM 369 CA LEU A 27 -0.337 -4.264 -8.365 1.00 0.00 C ATOM 370 C LEU A 27 -1.201 -3.167 -8.985 1.00 0.00 C ATOM 371 O LEU A 27 -0.792 -2.011 -9.036 1.00 0.00 O ATOM 372 CB LEU A 27 -0.573 -4.383 -6.844 1.00 0.00 C ATOM 373 CG LEU A 27 -0.874 -3.079 -6.094 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.203 -2.471 -6.513 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.876 -3.336 -4.602 1.00 0.00 C ATOM 0 H LEU A 27 1.456 -3.204 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.617 -5.221 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.403 -5.070 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.310 -4.838 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.091 -2.365 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.373 -1.550 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.182 -2.251 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.008 -3.176 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.090 -2.407 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.640 -4.075 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.101 -3.711 -4.296 1.00 0.00 H new ATOM 387 N THR A 28 -2.376 -3.531 -9.483 1.00 0.00 N ATOM 388 CA THR A 28 -3.252 -2.553 -10.126 1.00 0.00 C ATOM 389 C THR A 28 -4.663 -2.563 -9.550 1.00 0.00 C ATOM 390 O THR A 28 -5.409 -3.526 -9.722 1.00 0.00 O ATOM 391 CB THR A 28 -3.315 -2.827 -11.629 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.077 -3.332 -12.098 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.650 -1.600 -12.448 1.00 0.00 C ATOM 0 H THR A 28 -2.743 -4.482 -9.456 1.00 0.00 H new ATOM 0 HA THR A 28 -2.828 -1.567 -9.935 1.00 0.00 H new ATOM 0 HB THR A 28 -4.114 -3.557 -11.756 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.137 -3.503 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.679 -1.865 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.623 -1.214 -12.144 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.890 -0.836 -12.286 1.00 0.00 H new ATOM 401 N TRP A 29 -5.034 -1.466 -8.891 1.00 0.00 N ATOM 402 CA TRP A 29 -6.356 -1.330 -8.324 1.00 0.00 C ATOM 403 C TRP A 29 -7.276 -0.657 -9.335 1.00 0.00 C ATOM 404 O TRP A 29 -7.122 0.527 -9.625 1.00 0.00 O ATOM 405 CB TRP A 29 -6.304 -0.487 -7.051 1.00 0.00 C ATOM 406 CG TRP A 29 -7.660 -0.177 -6.505 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.362 -0.936 -5.630 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.481 0.956 -6.810 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.576 -0.349 -5.357 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.671 0.817 -6.070 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.326 2.076 -7.632 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.698 1.754 -6.129 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.348 3.006 -7.690 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.521 2.840 -6.943 1.00 0.00 C ATOM 0 H TRP A 29 -4.427 -0.660 -8.741 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.737 -2.321 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.725 -1.016 -6.294 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.780 0.446 -7.260 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.018 -1.868 -5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.288 -0.721 -4.728 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.425 2.213 -8.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.603 1.629 -5.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.240 3.875 -8.322 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.301 3.584 -7.011 1.00 0.00 H new ATOM 425 N ARG A 30 -8.223 -1.411 -9.870 1.00 0.00 N ATOM 426 CA ARG A 30 -9.158 -0.873 -10.852 1.00 0.00 C ATOM 427 C ARG A 30 -10.562 -0.775 -10.269 1.00 0.00 C ATOM 428 O ARG A 30 -11.067 -1.731 -9.688 1.00 0.00 O ATOM 429 CB ARG A 30 -9.175 -1.752 -12.104 1.00 0.00 C ATOM 430 CG ARG A 30 -9.628 -1.017 -13.356 1.00 0.00 C ATOM 431 CD ARG A 30 -10.483 -1.905 -14.246 1.00 0.00 C ATOM 432 NE ARG A 30 -10.175 -1.718 -15.662 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.127 -2.267 -16.272 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.284 -3.036 -15.594 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.920 -2.046 -17.563 1.00 0.00 N ATOM 0 H ARG A 30 -8.366 -2.395 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.825 0.129 -11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.175 -2.153 -12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.835 -2.602 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.195 -0.130 -13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.756 -0.674 -13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.325 -2.949 -13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.537 -1.686 -14.072 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.800 -1.132 -16.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.438 -3.209 -14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.483 -3.454 -16.066 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.564 -1.455 -18.089 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.117 -2.467 -18.030 1.00 0.00 H new ATOM 449 N SER A 31 -11.195 0.383 -10.429 1.00 0.00 N ATOM 450 CA SER A 31 -12.544 0.587 -9.913 1.00 0.00 C ATOM 451 C SER A 31 -13.460 -0.557 -10.340 1.00 0.00 C ATOM 452 O SER A 31 -13.177 -1.255 -11.314 1.00 0.00 O ATOM 453 CB SER A 31 -13.108 1.919 -10.413 1.00 0.00 C ATOM 454 OG SER A 31 -14.514 1.973 -10.248 1.00 0.00 O ATOM 0 H SER A 31 -10.798 1.191 -10.909 1.00 0.00 H new ATOM 0 HA SER A 31 -12.494 0.609 -8.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.643 2.741 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.857 2.051 -11.465 1.00 0.00 H new ATOM 0 HG SER A 31 -14.849 2.835 -10.574 1.00 0.00 H new ATOM 460 N THR A 32 -14.554 -0.746 -9.613 1.00 0.00 N ATOM 461 CA THR A 32 -15.498 -1.805 -9.929 1.00 0.00 C ATOM 462 C THR A 32 -16.293 -1.429 -11.165 1.00 0.00 C ATOM 463 O THR A 32 -16.607 -2.269 -12.007 1.00 0.00 O ATOM 464 CB THR A 32 -16.437 -2.054 -8.747 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.725 -2.574 -7.639 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.555 -3.022 -9.064 1.00 0.00 C ATOM 0 H THR A 32 -14.807 -0.180 -8.803 1.00 0.00 H new ATOM 0 HA THR A 32 -14.946 -2.724 -10.127 1.00 0.00 H new ATOM 0 HB THR A 32 -16.872 -1.081 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.765 -1.936 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.183 -3.153 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.156 -2.628 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.132 -3.984 -9.355 1.00 0.00 H new ATOM 474 N ASP A 33 -16.607 -0.149 -11.259 1.00 0.00 N ATOM 475 CA ASP A 33 -17.358 0.376 -12.385 1.00 0.00 C ATOM 476 C ASP A 33 -16.438 0.690 -13.564 1.00 0.00 C ATOM 477 O ASP A 33 -16.897 0.858 -14.693 1.00 0.00 O ATOM 478 CB ASP A 33 -18.128 1.633 -11.973 1.00 0.00 C ATOM 479 CG ASP A 33 -19.040 2.139 -13.072 1.00 0.00 C ATOM 480 OD1 ASP A 33 -18.553 2.878 -13.954 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.241 1.799 -13.051 1.00 0.00 O ATOM 0 H ASP A 33 -16.351 0.551 -10.563 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.067 -0.390 -12.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.720 1.418 -11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.420 2.417 -11.702 1.00 0.00 H new ATOM 486 N GLY A 34 -15.137 0.770 -13.294 1.00 0.00 N ATOM 487 CA GLY A 34 -14.179 1.065 -14.343 1.00 0.00 C ATOM 488 C GLY A 34 -14.001 2.554 -14.557 1.00 0.00 C ATOM 489 O GLY A 34 -13.796 3.008 -15.684 1.00 0.00 O ATOM 0 H GLY A 34 -14.731 0.636 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.217 0.619 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.509 0.603 -15.274 1.00 0.00 H new ATOM 493 N ASP A 35 -14.087 3.318 -13.474 1.00 0.00 N ATOM 494 CA ASP A 35 -13.939 4.768 -13.545 1.00 0.00 C ATOM 495 C ASP A 35 -12.473 5.181 -13.477 1.00 0.00 C ATOM 496 O ASP A 35 -12.097 6.245 -13.968 1.00 0.00 O ATOM 497 CB ASP A 35 -14.724 5.438 -12.417 1.00 0.00 C ATOM 498 CG ASP A 35 -15.100 6.869 -12.746 1.00 0.00 C ATOM 499 OD1 ASP A 35 -14.259 7.585 -13.328 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.236 7.274 -12.420 1.00 0.00 O ATOM 0 H ASP A 35 -14.259 2.958 -12.535 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.339 5.096 -14.504 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.629 4.864 -12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.128 5.422 -11.504 1.00 0.00 H new ATOM 505 N LYS A 36 -11.651 4.339 -12.864 1.00 0.00 N ATOM 506 CA LYS A 36 -10.227 4.629 -12.733 1.00 0.00 C ATOM 507 C LYS A 36 -9.482 3.472 -12.089 1.00 0.00 C ATOM 508 O LYS A 36 -10.085 2.571 -11.504 1.00 0.00 O ATOM 509 CB LYS A 36 -10.019 5.906 -11.916 1.00 0.00 C ATOM 510 CG LYS A 36 -10.395 5.762 -10.449 1.00 0.00 C ATOM 511 CD LYS A 36 -11.625 6.587 -10.100 1.00 0.00 C ATOM 512 CE LYS A 36 -11.247 7.990 -9.654 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.522 8.735 -10.720 1.00 0.00 N ATOM 0 H LYS A 36 -11.943 3.453 -12.451 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.823 4.774 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.973 6.205 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.610 6.709 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.585 4.713 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.557 6.076 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.283 6.645 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.184 6.090 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.148 8.538 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.622 7.932 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.431 9.734 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.575 8.324 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.052 8.668 -11.612 1.00 0.00 H new ATOM 527 N VAL A 37 -8.166 3.498 -12.228 1.00 0.00 N ATOM 528 CA VAL A 37 -7.316 2.453 -11.695 1.00 0.00 C ATOM 529 C VAL A 37 -5.979 3.018 -11.218 1.00 0.00 C ATOM 530 O VAL A 37 -5.450 3.966 -11.799 1.00 0.00 O ATOM 531 CB VAL A 37 -7.077 1.376 -12.771 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.919 2.024 -14.141 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.874 0.497 -12.435 1.00 0.00 C ATOM 0 H VAL A 37 -7.662 4.241 -12.711 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.820 2.007 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.951 0.725 -12.794 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.751 1.252 -14.892 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.824 2.579 -14.388 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.069 2.706 -14.125 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.739 -0.250 -13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.979 1.116 -12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.044 -0.003 -11.482 1.00 0.00 H new ATOM 543 N HIS A 38 -5.438 2.424 -10.160 1.00 0.00 N ATOM 544 CA HIS A 38 -4.163 2.859 -9.605 1.00 0.00 C ATOM 545 C HIS A 38 -3.142 1.726 -9.649 1.00 0.00 C ATOM 546 O HIS A 38 -3.359 0.661 -9.073 1.00 0.00 O ATOM 547 CB HIS A 38 -4.346 3.341 -8.164 1.00 0.00 C ATOM 548 CG HIS A 38 -4.831 4.754 -8.063 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.158 5.104 -8.193 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.158 5.908 -7.842 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.281 6.413 -8.057 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.082 6.923 -7.842 1.00 0.00 N ATOM 0 H HIS A 38 -5.864 1.638 -9.669 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.792 3.686 -10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.054 2.685 -7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.396 3.253 -7.637 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.093 6.011 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.204 6.970 -8.112 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.876 7.912 -7.699 1.00 0.00 H new ATOM 561 N THR A 39 -2.032 1.960 -10.341 1.00 0.00 N ATOM 562 CA THR A 39 -0.983 0.954 -10.462 1.00 0.00 C ATOM 563 C THR A 39 0.118 1.184 -9.433 1.00 0.00 C ATOM 564 O THR A 39 0.535 2.318 -9.195 1.00 0.00 O ATOM 565 CB THR A 39 -0.391 0.968 -11.874 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.252 1.642 -12.774 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.139 -0.416 -12.430 1.00 0.00 C ATOM 0 H THR A 39 -1.836 2.836 -10.826 1.00 0.00 H new ATOM 0 HA THR A 39 -1.430 -0.022 -10.273 1.00 0.00 H new ATOM 0 HB THR A 39 0.564 1.485 -11.781 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.854 1.641 -13.670 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.280 -0.334 -13.433 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.563 -0.945 -11.785 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.078 -0.967 -12.473 1.00 0.00 H new ATOM 575 N VAL A 40 0.581 0.099 -8.820 1.00 0.00 N ATOM 576 CA VAL A 40 1.628 0.176 -7.812 1.00 0.00 C ATOM 577 C VAL A 40 2.785 -0.755 -8.147 1.00 0.00 C ATOM 578 O VAL A 40 2.577 -1.893 -8.561 1.00 0.00 O ATOM 579 CB VAL A 40 1.077 -0.186 -6.409 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.873 -1.314 -5.755 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.069 1.029 -5.508 1.00 0.00 C ATOM 0 H VAL A 40 0.245 -0.846 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 40 1.989 1.205 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 40 0.054 -0.536 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.452 -1.535 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.822 -2.205 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.913 -1.008 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.679 0.753 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.085 1.409 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.437 1.802 -5.945 1.00 0.00 H new ATOM 591 N VAL A 41 4.000 -0.275 -7.927 1.00 0.00 N ATOM 592 CA VAL A 41 5.188 -1.077 -8.164 1.00 0.00 C ATOM 593 C VAL A 41 5.742 -1.555 -6.828 1.00 0.00 C ATOM 594 O VAL A 41 6.469 -0.828 -6.154 1.00 0.00 O ATOM 595 CB VAL A 41 6.272 -0.289 -8.924 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.470 -1.177 -9.226 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.702 0.301 -10.205 1.00 0.00 C ATOM 0 H VAL A 41 4.188 0.667 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 41 4.905 -1.927 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 41 6.609 0.531 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.224 -0.601 -9.763 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.893 -1.547 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.152 -2.020 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.481 0.854 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.335 -0.502 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.880 0.975 -9.961 1.00 0.00 H new ATOM 607 N LEU A 42 5.373 -2.777 -6.443 1.00 0.00 N ATOM 608 CA LEU A 42 5.806 -3.362 -5.174 1.00 0.00 C ATOM 609 C LEU A 42 7.279 -3.064 -4.874 1.00 0.00 C ATOM 610 O LEU A 42 7.688 -3.035 -3.713 1.00 0.00 O ATOM 611 CB LEU A 42 5.575 -4.874 -5.194 1.00 0.00 C ATOM 612 CG LEU A 42 4.118 -5.342 -5.052 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.698 -5.395 -3.597 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.163 -4.455 -5.820 1.00 0.00 C ATOM 0 H LEU A 42 4.770 -3.385 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 42 5.211 -2.906 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.971 -5.268 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.158 -5.320 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 42 4.072 -6.346 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.663 -5.729 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.340 -6.091 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.788 -4.402 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.144 -4.821 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.232 -3.434 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.424 -4.469 -6.878 1.00 0.00 H new ATOM 626 N SER A 43 8.066 -2.829 -5.920 1.00 0.00 N ATOM 627 CA SER A 43 9.481 -2.523 -5.757 1.00 0.00 C ATOM 628 C SER A 43 9.644 -1.090 -5.283 1.00 0.00 C ATOM 629 O SER A 43 10.351 -0.823 -4.311 1.00 0.00 O ATOM 630 CB SER A 43 10.235 -2.733 -7.070 1.00 0.00 C ATOM 631 OG SER A 43 11.403 -1.931 -7.129 1.00 0.00 O ATOM 0 H SER A 43 7.747 -2.845 -6.889 1.00 0.00 H new ATOM 0 HA SER A 43 9.901 -3.198 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.508 -3.784 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.583 -2.491 -7.909 1.00 0.00 H new ATOM 0 HG SER A 43 12.083 -2.382 -7.672 1.00 0.00 H new ATOM 637 N THR A 44 8.959 -0.172 -5.956 1.00 0.00 N ATOM 638 CA THR A 44 9.006 1.219 -5.580 1.00 0.00 C ATOM 639 C THR A 44 8.388 1.377 -4.200 1.00 0.00 C ATOM 640 O THR A 44 8.751 2.275 -3.440 1.00 0.00 O ATOM 641 CB THR A 44 8.249 2.060 -6.604 1.00 0.00 C ATOM 642 OG1 THR A 44 6.855 1.816 -6.526 1.00 0.00 O ATOM 643 CG2 THR A 44 8.687 1.805 -8.030 1.00 0.00 C ATOM 0 H THR A 44 8.368 -0.375 -6.762 1.00 0.00 H new ATOM 0 HA THR A 44 10.040 1.562 -5.553 1.00 0.00 H new ATOM 0 HB THR A 44 8.479 3.095 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.700 0.909 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.109 2.435 -8.706 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.747 2.039 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.521 0.757 -8.280 1.00 0.00 H new ATOM 651 N ILE A 45 7.464 0.472 -3.871 1.00 0.00 N ATOM 652 CA ILE A 45 6.816 0.490 -2.571 1.00 0.00 C ATOM 653 C ILE A 45 7.857 0.418 -1.452 1.00 0.00 C ATOM 654 O ILE A 45 8.456 -0.632 -1.220 1.00 0.00 O ATOM 655 CB ILE A 45 5.839 -0.695 -2.420 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.732 -0.616 -3.475 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.249 -0.728 -1.019 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.834 0.593 -3.329 1.00 0.00 C ATOM 0 H ILE A 45 7.153 -0.278 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 45 6.259 1.424 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 45 6.393 -1.620 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.187 -0.601 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.123 -1.518 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.563 -1.571 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.051 -0.837 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.710 0.200 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.075 0.579 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.349 0.570 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.430 1.502 -3.417 1.00 0.00 H new ATOM 670 N ASP A 46 8.067 1.537 -0.763 1.00 0.00 N ATOM 671 CA ASP A 46 9.036 1.592 0.330 1.00 0.00 C ATOM 672 C ASP A 46 8.855 0.412 1.282 1.00 0.00 C ATOM 673 O ASP A 46 9.822 -0.102 1.843 1.00 0.00 O ATOM 674 CB ASP A 46 8.895 2.908 1.097 1.00 0.00 C ATOM 675 CG ASP A 46 9.922 3.046 2.205 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.892 2.228 3.147 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.757 3.972 2.129 1.00 0.00 O ATOM 0 H ASP A 46 7.581 2.416 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 46 10.035 1.535 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.999 3.742 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.894 2.971 1.524 1.00 0.00 H new ATOM 682 N LYS A 47 7.608 -0.014 1.453 1.00 0.00 N ATOM 683 CA LYS A 47 7.294 -1.136 2.328 1.00 0.00 C ATOM 684 C LYS A 47 5.826 -1.529 2.196 1.00 0.00 C ATOM 685 O LYS A 47 5.014 -0.768 1.669 1.00 0.00 O ATOM 686 CB LYS A 47 7.621 -0.788 3.784 1.00 0.00 C ATOM 687 CG LYS A 47 6.708 0.268 4.385 1.00 0.00 C ATOM 688 CD LYS A 47 6.929 0.408 5.883 1.00 0.00 C ATOM 689 CE LYS A 47 6.984 1.868 6.305 1.00 0.00 C ATOM 690 NZ LYS A 47 7.886 2.076 7.471 1.00 0.00 N ATOM 0 H LYS A 47 6.797 0.402 0.996 1.00 0.00 H new ATOM 0 HA LYS A 47 7.907 -1.985 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.558 -1.694 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.652 -0.438 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.889 1.226 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.668 0.004 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.125 -0.097 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.859 -0.088 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.328 2.475 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.980 2.211 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.895 3.084 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.544 1.517 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.849 1.773 7.223 1.00 0.00 H new ATOM 704 N LEU A 48 5.492 -2.719 2.677 1.00 0.00 N ATOM 705 CA LEU A 48 4.122 -3.214 2.609 1.00 0.00 C ATOM 706 C LEU A 48 3.484 -3.222 3.996 1.00 0.00 C ATOM 707 O LEU A 48 4.009 -3.839 4.924 1.00 0.00 O ATOM 708 CB LEU A 48 4.103 -4.628 2.023 1.00 0.00 C ATOM 709 CG LEU A 48 2.723 -5.284 1.959 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.942 -4.764 0.762 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.856 -6.799 1.894 1.00 0.00 C ATOM 0 H LEU A 48 6.151 -3.360 3.119 1.00 0.00 H new ATOM 0 HA LEU A 48 3.548 -2.549 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.519 -4.593 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.762 -5.260 2.618 1.00 0.00 H new ATOM 0 HG LEU A 48 2.175 -5.026 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.962 -5.241 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.817 -3.685 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.486 -4.993 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.865 -7.250 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.422 -7.077 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.377 -7.157 2.782 1.00 0.00 H new ATOM 723 N GLN A 49 2.355 -2.533 4.134 1.00 0.00 N ATOM 724 CA GLN A 49 1.649 -2.462 5.408 1.00 0.00 C ATOM 725 C GLN A 49 0.246 -3.038 5.274 1.00 0.00 C ATOM 726 O GLN A 49 -0.363 -2.956 4.213 1.00 0.00 O ATOM 727 CB GLN A 49 1.565 -1.013 5.884 1.00 0.00 C ATOM 728 CG GLN A 49 1.599 -0.863 7.395 1.00 0.00 C ATOM 729 CD GLN A 49 1.041 0.466 7.863 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.325 1.144 7.127 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.366 0.845 9.093 1.00 0.00 N ATOM 0 H GLN A 49 1.909 -2.015 3.377 1.00 0.00 H new ATOM 0 HA GLN A 49 2.203 -3.049 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.393 -0.450 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.645 -0.568 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.028 -1.673 7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.627 -0.964 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.963 0.251 9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.019 1.730 9.462 1.00 0.00 H new ATOM 740 N ALA A 50 -0.262 -3.627 6.348 1.00 0.00 N ATOM 741 CA ALA A 50 -1.594 -4.212 6.333 1.00 0.00 C ATOM 742 C ALA A 50 -2.166 -4.309 7.745 1.00 0.00 C ATOM 743 O ALA A 50 -1.423 -4.485 8.711 1.00 0.00 O ATOM 744 CB ALA A 50 -1.536 -5.575 5.677 1.00 0.00 C ATOM 0 H ALA A 50 0.228 -3.712 7.239 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.258 -3.568 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.533 -6.016 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.172 -5.472 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.861 -6.221 6.239 1.00 0.00 H new ATOM 750 N THR A 51 -3.487 -4.190 7.866 1.00 0.00 N ATOM 751 CA THR A 51 -4.138 -4.264 9.170 1.00 0.00 C ATOM 752 C THR A 51 -3.828 -5.591 9.862 1.00 0.00 C ATOM 753 O THR A 51 -3.819 -6.644 9.224 1.00 0.00 O ATOM 754 CB THR A 51 -5.649 -4.094 9.021 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.164 -5.001 8.062 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.056 -2.699 8.601 1.00 0.00 C ATOM 0 H THR A 51 -4.123 -4.043 7.082 1.00 0.00 H new ATOM 0 HA THR A 51 -3.748 -3.454 9.787 1.00 0.00 H new ATOM 0 HB THR A 51 -6.061 -4.291 10.011 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.577 -5.762 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.141 -2.647 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.717 -1.981 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.603 -2.462 7.638 1.00 0.00 H new ATOM 847 N MET A 58 -10.054 -4.941 7.991 1.00 0.00 N ATOM 848 CA MET A 58 -9.179 -5.567 7.006 1.00 0.00 C ATOM 849 C MET A 58 -8.760 -4.564 5.937 1.00 0.00 C ATOM 850 O MET A 58 -9.571 -4.159 5.103 1.00 0.00 O ATOM 851 CB MET A 58 -9.886 -6.757 6.358 1.00 0.00 C ATOM 852 CG MET A 58 -10.414 -7.765 7.364 1.00 0.00 C ATOM 853 SD MET A 58 -12.176 -7.563 7.691 1.00 0.00 S ATOM 854 CE MET A 58 -12.865 -7.987 6.094 1.00 0.00 C ATOM 0 HA MET A 58 -8.283 -5.918 7.518 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.715 -6.392 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.193 -7.258 5.682 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.231 -8.773 6.993 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.861 -7.664 8.298 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.657 -7.282 5.840 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.082 -7.942 5.337 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.276 -8.996 6.131 1.00 0.00 H new ATOM 864 N MET A 59 -7.494 -4.163 5.971 1.00 0.00 N ATOM 865 CA MET A 59 -6.976 -3.199 5.007 1.00 0.00 C ATOM 866 C MET A 59 -5.494 -3.424 4.728 1.00 0.00 C ATOM 867 O MET A 59 -4.723 -3.751 5.630 1.00 0.00 O ATOM 868 CB MET A 59 -7.176 -1.779 5.532 1.00 0.00 C ATOM 869 CG MET A 59 -8.615 -1.462 5.910 1.00 0.00 C ATOM 870 SD MET A 59 -8.974 0.304 5.853 1.00 0.00 S ATOM 871 CE MET A 59 -8.431 0.814 7.481 1.00 0.00 C ATOM 0 H MET A 59 -6.809 -4.489 6.653 1.00 0.00 H new ATOM 0 HA MET A 59 -7.526 -3.336 4.076 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.540 -1.631 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.845 -1.071 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.289 -1.988 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.814 -1.837 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.654 1.871 7.624 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.951 0.227 8.238 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.357 0.655 7.573 1.00 0.00 H new ATOM 881 N LEU A 60 -5.098 -3.219 3.477 1.00 0.00 N ATOM 882 CA LEU A 60 -3.702 -3.370 3.080 1.00 0.00 C ATOM 883 C LEU A 60 -3.173 -2.056 2.514 1.00 0.00 C ATOM 884 O LEU A 60 -3.911 -1.301 1.881 1.00 0.00 O ATOM 885 CB LEU A 60 -3.541 -4.485 2.044 1.00 0.00 C ATOM 886 CG LEU A 60 -4.141 -5.840 2.429 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.714 -6.900 1.433 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.713 -6.250 3.829 1.00 0.00 C ATOM 0 H LEU A 60 -5.724 -2.947 2.719 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.126 -3.640 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.999 -4.158 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.478 -4.622 1.847 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.227 -5.745 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.146 -7.860 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.062 -6.625 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.627 -6.978 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.154 -7.216 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.626 -6.326 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.052 -5.503 4.547 1.00 0.00 H new ATOM 900 N ARG A 61 -1.898 -1.776 2.759 1.00 0.00 N ATOM 901 CA ARG A 61 -1.287 -0.539 2.286 1.00 0.00 C ATOM 902 C ARG A 61 0.150 -0.757 1.820 1.00 0.00 C ATOM 903 O ARG A 61 0.851 -1.634 2.321 1.00 0.00 O ATOM 904 CB ARG A 61 -1.297 0.501 3.407 1.00 0.00 C ATOM 905 CG ARG A 61 -0.988 1.914 2.941 1.00 0.00 C ATOM 906 CD ARG A 61 -0.159 2.669 3.969 1.00 0.00 C ATOM 907 NE ARG A 61 -0.879 2.849 5.228 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.745 3.834 5.456 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.008 4.728 4.511 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.350 3.924 6.632 1.00 0.00 N ATOM 0 H ARG A 61 -1.269 -2.386 3.281 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.871 -0.187 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.276 0.493 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.568 0.211 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.450 1.877 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.919 2.450 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.768 2.127 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.117 3.644 3.567 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.708 2.179 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.546 4.663 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.673 5.480 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.152 3.239 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.014 4.678 6.808 1.00 0.00 H new ATOM 924 N LEU A 62 0.586 0.068 0.874 1.00 0.00 N ATOM 925 CA LEU A 62 1.946 -0.002 0.354 1.00 0.00 C ATOM 926 C LEU A 62 2.594 1.377 0.414 1.00 0.00 C ATOM 927 O LEU A 62 2.124 2.319 -0.221 1.00 0.00 O ATOM 928 CB LEU A 62 1.954 -0.522 -1.085 1.00 0.00 C ATOM 929 CG LEU A 62 1.354 -1.916 -1.275 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.077 -1.826 -2.083 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.351 -2.859 -1.944 1.00 0.00 C ATOM 0 H LEU A 62 0.013 0.797 0.450 1.00 0.00 H new ATOM 0 HA LEU A 62 2.516 -0.696 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.406 0.181 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.983 -0.534 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 62 1.120 -2.325 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.342 -2.824 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.641 -1.196 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.294 -1.394 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.896 -3.842 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.627 -2.463 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.243 -2.946 -1.323 1.00 0.00 H new ATOM 943 N ILE A 63 3.664 1.498 1.190 1.00 0.00 N ATOM 944 CA ILE A 63 4.356 2.774 1.334 1.00 0.00 C ATOM 945 C ILE A 63 5.215 3.078 0.113 1.00 0.00 C ATOM 946 O ILE A 63 5.612 2.175 -0.616 1.00 0.00 O ATOM 947 CB ILE A 63 5.251 2.796 2.589 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.511 2.200 3.786 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.703 4.217 2.891 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.224 2.918 4.119 1.00 0.00 C ATOM 0 H ILE A 63 4.070 0.732 1.727 1.00 0.00 H new ATOM 0 HA ILE A 63 3.583 3.536 1.433 1.00 0.00 H new ATOM 0 HB ILE A 63 6.134 2.187 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.291 1.152 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.166 2.224 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.334 4.217 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.268 4.607 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.831 4.847 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.753 2.441 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.439 3.960 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.550 2.872 3.264 1.00 0.00 H new ATOM 962 N GLY A 64 5.495 4.360 -0.103 1.00 0.00 N ATOM 963 CA GLY A 64 6.306 4.762 -1.238 1.00 0.00 C ATOM 964 C GLY A 64 7.626 5.379 -0.817 1.00 0.00 C ATOM 965 O GLY A 64 7.818 5.713 0.351 1.00 0.00 O ATOM 0 H GLY A 64 5.175 5.127 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.499 3.894 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.750 5.478 -1.843 1.00 0.00 H new ATOM 991 N VAL A 66 10.027 8.075 -0.085 1.00 0.00 N ATOM 992 CA VAL A 66 9.966 9.494 0.231 1.00 0.00 C ATOM 993 C VAL A 66 11.363 10.087 0.392 1.00 0.00 C ATOM 994 O VAL A 66 12.333 9.363 0.614 1.00 0.00 O ATOM 995 CB VAL A 66 9.153 9.742 1.516 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.891 9.219 2.740 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.829 11.220 1.670 1.00 0.00 C ATOM 0 HA VAL A 66 9.469 9.987 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 66 8.215 9.194 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.294 9.407 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.057 8.147 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.851 9.728 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.255 11.373 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.755 11.792 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.245 11.556 0.813 1.00 0.00 H new ATOM 1007 N ASP A 67 11.456 11.409 0.283 1.00 0.00 N ATOM 1008 CA ASP A 67 12.732 12.100 0.420 1.00 0.00 C ATOM 1009 C ASP A 67 12.747 12.966 1.675 1.00 0.00 C ATOM 1010 O ASP A 67 13.269 14.081 1.666 1.00 0.00 O ATOM 1011 CB ASP A 67 13.005 12.961 -0.817 1.00 0.00 C ATOM 1012 CG ASP A 67 14.439 12.849 -1.296 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.287 12.357 -0.521 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.714 13.252 -2.444 1.00 0.00 O ATOM 0 H ASP A 67 10.662 12.023 0.100 1.00 0.00 H new ATOM 0 HA ASP A 67 13.518 11.350 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.332 12.661 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.782 14.003 -0.587 1.00 0.00 H new ATOM 1019 N GLU A 68 12.169 12.445 2.751 1.00 0.00 N ATOM 1020 CA GLU A 68 12.113 13.169 4.016 1.00 0.00 C ATOM 1021 C GLU A 68 13.513 13.431 4.564 1.00 0.00 C ATOM 1022 O GLU A 68 13.714 14.339 5.371 1.00 0.00 O ATOM 1023 CB GLU A 68 11.289 12.388 5.041 1.00 0.00 C ATOM 1024 CG GLU A 68 11.912 11.059 5.437 1.00 0.00 C ATOM 1025 CD GLU A 68 11.868 10.816 6.933 1.00 0.00 C ATOM 1026 OE1 GLU A 68 10.804 11.059 7.542 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.895 10.383 7.496 1.00 0.00 O ATOM 0 H GLU A 68 11.732 11.524 2.773 1.00 0.00 H new ATOM 0 HA GLU A 68 11.633 14.130 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.161 13.000 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.295 12.206 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.389 10.251 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.948 11.033 5.099 1.00 0.00 H new ATOM 1034 N SER A 69 14.477 12.631 4.121 1.00 0.00 N ATOM 1035 CA SER A 69 15.857 12.777 4.568 1.00 0.00 C ATOM 1036 C SER A 69 16.562 13.907 3.823 1.00 0.00 C ATOM 1037 O SER A 69 17.567 14.441 4.293 1.00 0.00 O ATOM 1038 CB SER A 69 16.620 11.466 4.370 1.00 0.00 C ATOM 1039 OG SER A 69 16.440 10.599 5.477 1.00 0.00 O ATOM 0 H SER A 69 14.328 11.875 3.453 1.00 0.00 H new ATOM 0 HA SER A 69 15.841 13.026 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.276 10.975 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.681 11.676 4.237 1.00 0.00 H new ATOM 0 HG SER A 69 16.936 9.768 5.325 1.00 0.00 H new ATOM 1045 N LYS A 70 16.031 14.265 2.659 1.00 0.00 N ATOM 1046 CA LYS A 70 16.612 15.331 1.851 1.00 0.00 C ATOM 1047 C LYS A 70 16.204 16.701 2.383 1.00 0.00 C ATOM 1048 O LYS A 70 17.034 17.449 2.901 1.00 0.00 O ATOM 1049 CB LYS A 70 16.177 15.187 0.391 1.00 0.00 C ATOM 1050 CG LYS A 70 17.144 14.376 -0.455 1.00 0.00 C ATOM 1051 CD LYS A 70 18.422 15.151 -0.738 1.00 0.00 C ATOM 1052 CE LYS A 70 19.522 14.240 -1.258 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.136 13.575 -2.533 1.00 0.00 N ATOM 0 H LYS A 70 15.200 13.833 2.254 1.00 0.00 H new ATOM 0 HA LYS A 70 17.697 15.247 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.195 14.715 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.069 16.179 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.387 13.446 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.666 14.104 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.220 15.933 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.758 15.646 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.431 14.821 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.751 13.483 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.932 13.003 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.313 12.961 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.893 14.297 -3.241 1.00 0.00 H new ATOM 1067 N LYS A 71 14.923 17.025 2.251 1.00 0.00 N ATOM 1068 CA LYS A 71 14.405 18.306 2.718 1.00 0.00 C ATOM 1069 C LYS A 71 15.104 19.464 2.011 1.00 0.00 C ATOM 1070 O LYS A 71 16.120 19.971 2.486 1.00 0.00 O ATOM 1071 CB LYS A 71 14.587 18.431 4.232 1.00 0.00 C ATOM 1072 CG LYS A 71 13.679 17.512 5.032 1.00 0.00 C ATOM 1073 CD LYS A 71 14.349 17.044 6.313 1.00 0.00 C ATOM 1074 CE LYS A 71 14.319 18.122 7.384 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.415 17.547 8.754 1.00 0.00 N ATOM 0 H LYS A 71 14.223 16.418 1.824 1.00 0.00 H new ATOM 0 HA LYS A 71 13.342 18.349 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.625 18.212 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.398 19.463 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.753 18.034 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.408 16.648 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.847 16.150 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.382 16.766 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.144 18.816 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.397 18.696 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.391 18.315 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.614 16.904 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.307 17.020 8.848 1.00 0.00 H new ATOM 1089 N ARG A 72 14.553 19.876 0.875 1.00 0.00 N ATOM 1090 CA ARG A 72 15.122 20.972 0.101 1.00 0.00 C ATOM 1091 C ARG A 72 14.425 22.288 0.427 1.00 0.00 C ATOM 1092 O ARG A 72 13.552 22.344 1.294 1.00 0.00 O ATOM 1093 CB ARG A 72 15.004 20.676 -1.396 1.00 0.00 C ATOM 1094 CG ARG A 72 16.291 20.162 -2.017 1.00 0.00 C ATOM 1095 CD ARG A 72 16.654 20.939 -3.273 1.00 0.00 C ATOM 1096 NE ARG A 72 17.204 20.073 -4.313 1.00 0.00 N ATOM 1097 CZ ARG A 72 18.446 19.592 -4.296 1.00 0.00 C ATOM 1098 NH1 ARG A 72 19.267 19.889 -3.298 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.866 18.810 -5.282 1.00 0.00 N ATOM 0 H ARG A 72 13.711 19.467 0.469 1.00 0.00 H new ATOM 0 HA ARG A 72 16.175 21.066 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.216 19.939 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.698 21.584 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.102 20.240 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.182 19.105 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.768 21.446 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.381 21.712 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 72 16.602 19.822 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.949 20.489 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.217 19.517 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.238 18.578 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.817 18.441 -5.270 1.00 0.00 H new ATOM 1113 N LYS A 73 14.816 23.346 -0.276 1.00 0.00 N ATOM 1114 CA LYS A 73 14.230 24.664 -0.068 1.00 0.00 C ATOM 1115 C LYS A 73 13.897 25.322 -1.403 1.00 0.00 C ATOM 1116 O LYS A 73 13.916 24.671 -2.448 1.00 0.00 O ATOM 1117 CB LYS A 73 15.186 25.551 0.731 1.00 0.00 C ATOM 1118 CG LYS A 73 15.778 24.864 1.952 1.00 0.00 C ATOM 1119 CD LYS A 73 15.632 25.717 3.202 1.00 0.00 C ATOM 1120 CE LYS A 73 16.338 25.089 4.392 1.00 0.00 C ATOM 1121 NZ LYS A 73 15.794 25.585 5.686 1.00 0.00 N ATOM 0 H LYS A 73 15.538 23.315 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 73 13.306 24.542 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.997 25.876 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.655 26.447 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.283 23.905 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.833 24.654 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.043 26.709 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.575 25.848 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.233 24.005 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.404 25.308 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.302 25.133 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.917 26.616 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.782 25.353 5.749 1.00 0.00 H new ATOM 1135 N ASP A 74 13.595 26.615 -1.362 1.00 0.00 N ATOM 1136 CA ASP A 74 13.259 27.357 -2.571 1.00 0.00 C ATOM 1137 C ASP A 74 13.962 28.711 -2.592 1.00 0.00 C ATOM 1138 O ASP A 74 14.714 29.045 -1.676 1.00 0.00 O ATOM 1139 CB ASP A 74 11.744 27.548 -2.670 1.00 0.00 C ATOM 1140 CG ASP A 74 11.251 27.533 -4.104 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.605 26.591 -4.843 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.511 28.464 -4.487 1.00 0.00 O ATOM 0 H ASP A 74 13.576 27.170 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 74 13.601 26.781 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.244 26.759 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.469 28.494 -2.204 1.00 0.00 H new ATOM 1147 N ASN A 75 13.717 29.486 -3.644 1.00 0.00 N ATOM 1148 CA ASN A 75 14.330 30.802 -3.787 1.00 0.00 C ATOM 1149 C ASN A 75 14.013 31.696 -2.590 1.00 0.00 C ATOM 1150 O ASN A 75 14.732 32.655 -2.312 1.00 0.00 O ATOM 1151 CB ASN A 75 13.854 31.472 -5.077 1.00 0.00 C ATOM 1152 CG ASN A 75 14.277 30.708 -6.315 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.122 29.489 -6.391 1.00 0.00 O ATOM 1154 ND2 ASN A 75 14.819 31.423 -7.295 1.00 0.00 N ATOM 0 H ASN A 75 13.097 29.225 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 75 15.410 30.662 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.767 31.557 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.252 32.485 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.125 30.963 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.929 32.432 -7.190 1.00 0.00 H new ATOM 1161 N GLU A 76 12.934 31.376 -1.886 1.00 0.00 N ATOM 1162 CA GLU A 76 12.524 32.150 -0.721 1.00 0.00 C ATOM 1163 C GLU A 76 12.787 31.378 0.568 1.00 0.00 C ATOM 1164 O GLU A 76 12.038 31.496 1.537 1.00 0.00 O ATOM 1165 CB GLU A 76 11.041 32.512 -0.818 1.00 0.00 C ATOM 1166 CG GLU A 76 10.699 33.853 -0.190 1.00 0.00 C ATOM 1167 CD GLU A 76 10.046 33.710 1.170 1.00 0.00 C ATOM 1168 OE1 GLU A 76 10.781 33.556 2.168 1.00 0.00 O ATOM 1169 OE2 GLU A 76 8.799 33.751 1.239 1.00 0.00 O ATOM 0 H GLU A 76 12.327 30.585 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 76 13.114 33.066 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.747 32.526 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.453 31.733 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.608 34.446 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.031 34.401 -0.854 1.00 0.00 H new ATOM 1176 N GLY A 77 13.856 30.586 0.571 1.00 0.00 N ATOM 1177 CA GLY A 77 14.197 29.805 1.747 1.00 0.00 C ATOM 1178 C GLY A 77 13.057 28.916 2.204 1.00 0.00 C ATOM 1179 O GLY A 77 12.964 28.570 3.381 1.00 0.00 O ATOM 0 H GLY A 77 14.491 30.471 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.069 29.189 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.476 30.478 2.558 1.00 0.00 H new ATOM 1183 N ASN A 78 12.187 28.547 1.268 1.00 0.00 N ATOM 1184 CA ASN A 78 11.046 27.695 1.578 1.00 0.00 C ATOM 1185 C ASN A 78 11.502 26.294 1.978 1.00 0.00 C ATOM 1186 O ASN A 78 12.691 26.055 2.194 1.00 0.00 O ATOM 1187 CB ASN A 78 10.104 27.618 0.373 1.00 0.00 C ATOM 1188 CG ASN A 78 8.832 28.416 0.583 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.906 27.963 1.255 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.782 29.610 0.005 1.00 0.00 N ATOM 0 H ASN A 78 12.252 28.825 0.289 1.00 0.00 H new ATOM 0 HA ASN A 78 10.513 28.133 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.620 27.988 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.849 26.576 0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.951 30.193 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.574 29.945 -0.543 1.00 0.00 H new ATOM 1197 N GLU A 79 10.550 25.373 2.073 1.00 0.00 N ATOM 1198 CA GLU A 79 10.848 23.996 2.445 1.00 0.00 C ATOM 1199 C GLU A 79 10.097 23.023 1.543 1.00 0.00 C ATOM 1200 O GLU A 79 8.867 23.028 1.496 1.00 0.00 O ATOM 1201 CB GLU A 79 10.476 23.747 3.908 1.00 0.00 C ATOM 1202 CG GLU A 79 11.049 22.456 4.469 1.00 0.00 C ATOM 1203 CD GLU A 79 11.291 22.527 5.964 1.00 0.00 C ATOM 1204 OE1 GLU A 79 11.819 23.558 6.432 1.00 0.00 O ATOM 1205 OE2 GLU A 79 10.949 21.553 6.668 1.00 0.00 O ATOM 0 H GLU A 79 9.562 25.556 1.897 1.00 0.00 H new ATOM 0 HA GLU A 79 11.918 23.832 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.828 24.584 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.390 23.723 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.365 21.635 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.987 22.229 3.963 1.00 0.00 H new ATOM 1212 N VAL A 80 10.843 22.193 0.824 1.00 0.00 N ATOM 1213 CA VAL A 80 10.249 21.221 -0.080 1.00 0.00 C ATOM 1214 C VAL A 80 9.961 19.904 0.630 1.00 0.00 C ATOM 1215 O VAL A 80 8.806 19.500 0.763 1.00 0.00 O ATOM 1216 CB VAL A 80 11.159 20.955 -1.281 1.00 0.00 C ATOM 1217 CG1 VAL A 80 10.529 19.941 -2.226 1.00 0.00 C ATOM 1218 CG2 VAL A 80 11.479 22.255 -2.005 1.00 0.00 C ATOM 0 H VAL A 80 11.862 22.175 0.851 1.00 0.00 H new ATOM 0 HA VAL A 80 9.309 21.648 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 80 12.094 20.531 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.195 19.769 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.365 19.003 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.575 20.325 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.127 22.047 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.554 22.713 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.985 22.937 -1.322 1.00 0.00 H new ATOM 1228 N VAL A 81 11.026 19.247 1.086 1.00 0.00 N ATOM 1229 CA VAL A 81 10.923 17.973 1.789 1.00 0.00 C ATOM 1230 C VAL A 81 9.772 17.118 1.253 1.00 0.00 C ATOM 1231 O VAL A 81 8.689 17.074 1.834 1.00 0.00 O ATOM 1232 CB VAL A 81 10.762 18.204 3.302 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.595 19.136 3.586 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.608 16.883 4.043 1.00 0.00 C ATOM 0 H VAL A 81 11.983 19.584 0.978 1.00 0.00 H new ATOM 0 HA VAL A 81 11.849 17.425 1.611 1.00 0.00 H new ATOM 0 HB VAL A 81 11.669 18.684 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.501 19.284 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.770 20.096 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.676 18.697 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.496 17.075 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.726 16.360 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.492 16.267 3.876 1.00 0.00 H new ATOM 1244 N PRO A 82 10.001 16.428 0.122 1.00 0.00 N ATOM 1245 CA PRO A 82 8.990 15.576 -0.507 1.00 0.00 C ATOM 1246 C PRO A 82 8.267 14.685 0.498 1.00 0.00 C ATOM 1247 O PRO A 82 8.896 13.928 1.238 1.00 0.00 O ATOM 1248 CB PRO A 82 9.808 14.731 -1.482 1.00 0.00 C ATOM 1249 CG PRO A 82 10.960 15.599 -1.852 1.00 0.00 C ATOM 1250 CD PRO A 82 11.269 16.433 -0.636 1.00 0.00 C ATOM 0 HA PRO A 82 8.200 16.159 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.143 13.803 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.221 14.456 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.822 14.998 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.712 16.231 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.085 16.006 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.568 17.445 -0.910 1.00 0.00 H new ATOM 1258 N LYS A 83 6.942 14.779 0.518 1.00 0.00 N ATOM 1259 CA LYS A 83 6.131 13.982 1.431 1.00 0.00 C ATOM 1260 C LYS A 83 6.106 12.520 1.005 1.00 0.00 C ATOM 1261 O LYS A 83 6.435 12.187 -0.135 1.00 0.00 O ATOM 1262 CB LYS A 83 4.705 14.533 1.497 1.00 0.00 C ATOM 1263 CG LYS A 83 4.639 16.012 1.841 1.00 0.00 C ATOM 1264 CD LYS A 83 3.362 16.352 2.592 1.00 0.00 C ATOM 1265 CE LYS A 83 3.599 16.418 4.092 1.00 0.00 C ATOM 1266 NZ LYS A 83 3.208 15.153 4.773 1.00 0.00 N ATOM 0 H LYS A 83 6.406 15.400 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 83 6.581 14.043 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.217 14.370 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.141 13.970 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.503 16.285 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.693 16.602 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.976 17.309 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.601 15.603 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.652 16.623 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.031 17.247 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.385 15.239 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.197 14.970 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.768 14.365 4.390 1.00 0.00 H new ATOM 1280 N PRO A 84 5.732 11.627 1.930 1.00 0.00 N ATOM 1281 CA PRO A 84 5.675 10.189 1.689 1.00 0.00 C ATOM 1282 C PRO A 84 4.374 9.763 1.015 1.00 0.00 C ATOM 1283 O PRO A 84 3.284 10.101 1.477 1.00 0.00 O ATOM 1284 CB PRO A 84 5.774 9.589 3.106 1.00 0.00 C ATOM 1285 CG PRO A 84 5.926 10.761 4.033 1.00 0.00 C ATOM 1286 CD PRO A 84 5.350 11.933 3.307 1.00 0.00 C ATOM 0 HA PRO A 84 6.463 9.856 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.883 9.010 3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.625 8.913 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.401 10.587 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.974 10.931 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.269 12.002 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.771 12.878 3.651 1.00 0.00 H new ATOM 1311 N ARG A 86 1.912 6.814 0.109 1.00 0.00 N ATOM 1312 CA ARG A 86 1.524 5.451 0.460 1.00 0.00 C ATOM 1313 C ARG A 86 0.192 5.090 -0.187 1.00 0.00 C ATOM 1314 O ARG A 86 -0.700 5.932 -0.299 1.00 0.00 O ATOM 1315 CB ARG A 86 1.419 5.307 1.979 1.00 0.00 C ATOM 1316 CG ARG A 86 2.550 5.986 2.738 1.00 0.00 C ATOM 1317 CD ARG A 86 2.022 6.982 3.758 1.00 0.00 C ATOM 1318 NE ARG A 86 3.090 7.529 4.592 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.880 8.148 5.752 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.647 8.300 6.218 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.908 8.615 6.448 1.00 0.00 N ATOM 0 HA ARG A 86 2.289 4.770 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.469 5.726 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.407 4.247 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.153 5.232 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.205 6.499 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.513 7.795 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.281 6.494 4.391 1.00 0.00 H new ATOM 0 HE ARG A 86 4.052 7.431 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.853 7.942 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.493 8.775 7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.858 8.500 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.749 9.089 7.337 1.00 0.00 H new ATOM 1335 N HIS A 87 0.055 3.837 -0.612 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.178 3.385 -1.242 1.00 0.00 C ATOM 1337 C HIS A 87 -2.047 2.644 -0.235 1.00 0.00 C ATOM 1338 O HIS A 87 -1.700 1.553 0.211 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.861 2.479 -2.433 1.00 0.00 C ATOM 1340 CG HIS A 87 0.286 2.964 -3.262 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.132 3.799 -4.349 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.616 2.736 -3.152 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.317 4.061 -4.872 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.234 3.429 -4.164 1.00 0.00 N ATOM 0 H HIS A 87 0.778 3.122 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.726 4.257 -1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.637 1.477 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.746 2.398 -3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.101 2.123 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.503 4.686 -5.733 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.238 3.452 -4.340 1.00 0.00 H new ATOM 1353 N MET A 88 -3.176 3.247 0.126 1.00 0.00 N ATOM 1354 CA MET A 88 -4.086 2.643 1.090 1.00 0.00 C ATOM 1355 C MET A 88 -5.188 1.857 0.390 1.00 0.00 C ATOM 1356 O MET A 88 -5.953 2.406 -0.402 1.00 0.00 O ATOM 1357 CB MET A 88 -4.703 3.717 1.989 1.00 0.00 C ATOM 1358 CG MET A 88 -4.860 3.280 3.436 1.00 0.00 C ATOM 1359 SD MET A 88 -6.380 3.893 4.188 1.00 0.00 S ATOM 1360 CE MET A 88 -6.400 2.965 5.720 1.00 0.00 C ATOM 0 H MET A 88 -3.481 4.151 -0.234 1.00 0.00 H new ATOM 0 HA MET A 88 -3.509 1.952 1.704 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.080 4.611 1.953 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.680 3.993 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.849 2.191 3.486 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.006 3.634 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.284 3.235 6.298 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.423 1.898 5.499 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.505 3.196 6.297 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.264 0.566 0.695 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.273 -0.303 0.104 1.00 0.00 C ATOM 1372 C PHE A 89 -7.112 -0.965 1.194 1.00 0.00 C ATOM 1373 O PHE A 89 -6.595 -1.734 2.003 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.610 -1.374 -0.763 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.780 -0.817 -1.887 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.371 -0.442 -3.083 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.408 -0.675 -1.748 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.607 0.063 -4.119 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.642 -0.171 -2.782 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.242 0.199 -3.969 1.00 0.00 C ATOM 0 H PHE A 89 -4.637 0.098 1.350 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.926 0.306 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.978 -1.999 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.382 -2.020 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.439 -0.545 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.933 -0.961 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.079 0.351 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.574 -0.067 -2.661 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.645 0.594 -4.778 1.00 0.00 H new ATOM 1390 N SER A 90 -8.405 -0.662 1.211 1.00 0.00 N ATOM 1391 CA SER A 90 -9.307 -1.232 2.207 1.00 0.00 C ATOM 1392 C SER A 90 -10.043 -2.442 1.643 1.00 0.00 C ATOM 1393 O SER A 90 -10.844 -2.317 0.718 1.00 0.00 O ATOM 1394 CB SER A 90 -10.317 -0.184 2.674 1.00 0.00 C ATOM 1395 OG SER A 90 -9.835 1.129 2.440 1.00 0.00 O ATOM 0 H SER A 90 -8.852 -0.027 0.549 1.00 0.00 H new ATOM 0 HA SER A 90 -8.708 -1.554 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.262 -0.327 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.518 -0.317 3.737 1.00 0.00 H new ATOM 0 HG SER A 90 -10.500 1.781 2.746 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.766 -3.610 2.208 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.403 -4.842 1.759 1.00 0.00 C ATOM 1403 C PHE A 91 -11.633 -5.165 2.601 1.00 0.00 C ATOM 1404 O PHE A 91 -11.612 -5.038 3.826 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.408 -5.999 1.815 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.296 -5.873 0.813 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.348 -4.872 0.935 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.204 -6.754 -0.249 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.325 -4.753 0.013 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.184 -6.642 -1.174 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.243 -5.639 -1.042 1.00 0.00 C ATOM 0 H PHE A 91 -9.106 -3.731 2.976 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.727 -4.699 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.981 -6.054 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.939 -6.935 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.408 -4.177 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.938 -7.539 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.591 -3.968 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.122 -7.337 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.444 -5.548 -1.763 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.705 -5.584 1.934 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.949 -5.929 2.614 1.00 0.00 C ATOM 1423 C ASN A 92 -14.043 -7.435 2.842 1.00 0.00 C ATOM 1424 O ASN A 92 -15.112 -8.030 2.704 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.148 -5.449 1.796 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.551 -4.028 2.140 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.729 -3.686 3.309 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.699 -3.191 1.119 1.00 0.00 N ATOM 0 H ASN A 92 -12.736 -5.693 0.920 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.957 -5.432 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.908 -5.509 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.993 -6.115 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.970 -2.223 1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.541 -3.517 0.165 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.915 -8.045 3.189 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.859 -9.482 3.434 1.00 0.00 C ATOM 1437 C ASN A 93 -11.446 -9.906 3.803 1.00 0.00 C ATOM 1438 O ASN A 93 -10.540 -9.881 2.969 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.332 -10.253 2.199 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.766 -10.726 2.324 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.403 -10.552 3.363 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.283 -11.328 1.259 1.00 0.00 N ATOM 0 H ASN A 93 -12.023 -7.564 3.307 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.522 -9.713 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.238 -9.616 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.682 -11.113 2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.245 -11.667 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.718 -11.451 0.418 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.263 -10.303 5.058 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.957 -10.739 5.538 1.00 0.00 C ATOM 1451 C ARG A 94 -9.390 -11.833 4.643 1.00 0.00 C ATOM 1452 O ARG A 94 -8.183 -12.059 4.615 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.058 -11.246 6.978 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.708 -11.400 7.663 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.605 -10.523 8.901 1.00 0.00 C ATOM 1456 NE ARG A 94 -7.222 -10.363 9.344 1.00 0.00 N ATOM 1457 CZ ARG A 94 -6.508 -11.332 9.912 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -7.044 -12.530 10.115 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -5.254 -11.104 10.280 1.00 0.00 N ATOM 0 H ARG A 94 -12.002 -10.332 5.760 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.284 -9.882 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.673 -10.556 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.570 -12.208 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.558 -12.443 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.913 -11.139 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.033 -9.544 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.195 -10.961 9.706 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.777 -9.455 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.008 -12.712 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.492 -13.269 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.837 -10.186 10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.707 -11.847 10.715 1.00 0.00 H new ATOM 1473 N THR A 95 -10.265 -12.508 3.912 1.00 0.00 N ATOM 1474 CA THR A 95 -9.855 -13.564 3.022 1.00 0.00 C ATOM 1475 C THR A 95 -9.071 -13.005 1.844 1.00 0.00 C ATOM 1476 O THR A 95 -7.999 -13.504 1.505 1.00 0.00 O ATOM 1477 CB THR A 95 -11.088 -14.306 2.544 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.202 -14.022 3.372 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.911 -15.800 2.519 1.00 0.00 C ATOM 0 H THR A 95 -11.270 -12.335 3.924 1.00 0.00 H new ATOM 0 HA THR A 95 -9.199 -14.253 3.554 1.00 0.00 H new ATOM 0 HB THR A 95 -11.255 -13.956 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.986 -14.510 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.830 -16.269 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.092 -16.058 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.683 -16.156 3.524 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.602 -11.952 1.236 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.930 -11.313 0.109 1.00 0.00 C ATOM 1489 C VAL A 96 -7.632 -10.689 0.584 1.00 0.00 C ATOM 1490 O VAL A 96 -6.579 -10.865 -0.029 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.789 -10.214 -0.559 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.629 -10.250 -2.070 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.252 -10.337 -0.167 1.00 0.00 C ATOM 0 H VAL A 96 -10.489 -11.524 1.501 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.748 -12.090 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.432 -9.249 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.242 -9.469 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.583 -10.085 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.947 -11.222 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.827 -9.549 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.632 -11.310 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.348 -10.240 0.914 1.00 0.00 H new ATOM 1503 N MET A 97 -7.718 -9.962 1.693 1.00 0.00 N ATOM 1504 CA MET A 97 -6.550 -9.314 2.267 1.00 0.00 C ATOM 1505 C MET A 97 -5.539 -10.357 2.732 1.00 0.00 C ATOM 1506 O MET A 97 -4.331 -10.169 2.592 1.00 0.00 O ATOM 1507 CB MET A 97 -6.963 -8.393 3.420 1.00 0.00 C ATOM 1508 CG MET A 97 -7.037 -9.073 4.777 1.00 0.00 C ATOM 1509 SD MET A 97 -5.512 -8.908 5.720 1.00 0.00 S ATOM 1510 CE MET A 97 -6.087 -7.898 7.078 1.00 0.00 C ATOM 0 H MET A 97 -8.584 -9.808 2.210 1.00 0.00 H new ATOM 0 HA MET A 97 -6.075 -8.702 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.254 -7.567 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.937 -7.961 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.861 -8.646 5.349 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.261 -10.131 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.302 -7.819 7.830 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.339 -6.903 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.971 -8.355 7.522 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.039 -11.466 3.274 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.165 -12.537 3.739 1.00 0.00 C ATOM 1522 C ASP A 98 -4.491 -13.210 2.552 1.00 0.00 C ATOM 1523 O ASP A 98 -3.341 -13.640 2.634 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.953 -13.568 4.552 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.084 -14.710 5.042 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.855 -14.516 5.150 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.633 -15.798 5.316 1.00 0.00 O ATOM 0 H ASP A 98 -7.035 -11.644 3.401 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.402 -12.103 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.415 -13.075 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.761 -13.968 3.940 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.219 -13.277 1.447 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.705 -13.879 0.223 1.00 0.00 C ATOM 1534 C ASN A 99 -3.840 -12.882 -0.539 1.00 0.00 C ATOM 1535 O ASN A 99 -2.944 -13.269 -1.286 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.858 -14.355 -0.661 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.425 -15.685 -0.205 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.697 -16.668 -0.060 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.734 -15.725 0.021 1.00 0.00 N ATOM 0 H ASN A 99 -6.172 -12.921 1.372 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.092 -14.738 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.649 -13.605 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.510 -14.445 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.172 -16.594 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.300 -14.887 -0.112 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.119 -11.595 -0.343 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.373 -10.529 -1.005 1.00 0.00 C ATOM 1548 C ILE A 100 -2.127 -10.157 -0.209 1.00 0.00 C ATOM 1549 O ILE A 100 -1.007 -10.248 -0.708 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.253 -9.273 -1.188 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.280 -9.510 -2.300 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.401 -8.041 -1.489 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.838 -9.002 -3.655 1.00 0.00 C ATOM 0 H ILE A 100 -4.862 -11.265 0.273 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.072 -10.902 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.784 -9.086 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.485 -10.578 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.216 -9.023 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.048 -7.173 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.711 -7.865 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.835 -8.205 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.616 -9.205 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.661 -7.928 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.918 -9.507 -3.950 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.340 -9.726 1.030 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.247 -9.323 1.910 1.00 0.00 C ATOM 1567 C LYS A 101 -0.085 -10.313 1.844 1.00 0.00 C ATOM 1568 O LYS A 101 1.074 -9.935 2.017 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.748 -9.214 3.350 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.682 -8.755 4.332 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.635 -9.648 5.563 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.785 -9.349 6.511 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.464 -9.735 7.913 1.00 0.00 N ATOM 0 H LYS A 101 -3.266 -9.646 1.450 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.887 -8.351 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.585 -8.516 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.129 -10.184 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.291 -8.758 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.883 -7.727 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.676 -10.693 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.313 -9.505 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.020 -8.285 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.675 -9.885 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.274 -9.515 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.264 -10.755 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.630 -9.205 8.237 1.00 0.00 H new ATOM 1587 N MET A 102 -0.403 -11.579 1.590 1.00 0.00 N ATOM 1588 CA MET A 102 0.617 -12.613 1.501 1.00 0.00 C ATOM 1589 C MET A 102 1.296 -12.574 0.140 1.00 0.00 C ATOM 1590 O MET A 102 2.505 -12.776 0.032 1.00 0.00 O ATOM 1591 CB MET A 102 0.010 -13.995 1.751 1.00 0.00 C ATOM 1592 CG MET A 102 -1.043 -14.403 0.734 1.00 0.00 C ATOM 1593 SD MET A 102 -0.508 -15.773 -0.312 1.00 0.00 S ATOM 1594 CE MET A 102 -0.949 -15.154 -1.933 1.00 0.00 C ATOM 0 H MET A 102 -1.356 -11.911 1.443 1.00 0.00 H new ATOM 0 HA MET A 102 1.365 -12.421 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.809 -14.737 1.749 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.436 -14.010 2.746 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.957 -14.686 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.287 -13.546 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.480 -15.772 -2.699 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.032 -15.187 -2.053 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.604 -14.125 -2.036 1.00 0.00 H new ATOM 1604 N THR A 103 0.511 -12.306 -0.897 1.00 0.00 N ATOM 1605 CA THR A 103 1.035 -12.231 -2.246 1.00 0.00 C ATOM 1606 C THR A 103 2.105 -11.157 -2.348 1.00 0.00 C ATOM 1607 O THR A 103 3.243 -11.434 -2.725 1.00 0.00 O ATOM 1608 CB THR A 103 -0.092 -11.933 -3.229 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.356 -12.144 -2.629 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.032 -12.776 -4.474 1.00 0.00 C ATOM 0 H THR A 103 -0.492 -12.137 -0.824 1.00 0.00 H new ATOM 0 HA THR A 103 1.483 -13.193 -2.494 1.00 0.00 H new ATOM 0 HB THR A 103 0.040 -10.888 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.905 -12.708 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.861 -12.514 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.911 -12.596 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.102 -13.830 -4.204 1.00 0.00 H new ATOM 1618 N LEU A 104 1.735 -9.927 -1.999 1.00 0.00 N ATOM 1619 CA LEU A 104 2.672 -8.811 -2.042 1.00 0.00 C ATOM 1620 C LEU A 104 3.977 -9.204 -1.364 1.00 0.00 C ATOM 1621 O LEU A 104 5.048 -9.137 -1.966 1.00 0.00 O ATOM 1622 CB LEU A 104 2.079 -7.576 -1.353 1.00 0.00 C ATOM 1623 CG LEU A 104 0.655 -7.202 -1.779 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.062 -6.474 -0.653 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.679 -6.340 -3.032 1.00 0.00 C ATOM 0 H LEU A 104 0.797 -9.680 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 104 2.866 -8.564 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.085 -7.745 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.732 -6.725 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 104 0.112 -8.121 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.072 -6.215 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.112 -7.120 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.483 -5.564 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.342 -6.085 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.239 -5.426 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.156 -6.890 -3.843 1.00 0.00 H new ATOM 1637 N GLN A 105 3.869 -9.631 -0.110 1.00 0.00 N ATOM 1638 CA GLN A 105 5.030 -10.053 0.663 1.00 0.00 C ATOM 1639 C GLN A 105 5.788 -11.167 -0.057 1.00 0.00 C ATOM 1640 O GLN A 105 7.015 -11.137 -0.144 1.00 0.00 O ATOM 1641 CB GLN A 105 4.596 -10.534 2.048 1.00 0.00 C ATOM 1642 CG GLN A 105 5.054 -9.629 3.179 1.00 0.00 C ATOM 1643 CD GLN A 105 4.063 -9.592 4.324 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.404 -9.902 5.466 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.827 -9.214 4.021 1.00 0.00 N ATOM 0 H GLN A 105 2.984 -9.694 0.394 1.00 0.00 H new ATOM 0 HA GLN A 105 5.694 -9.196 0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.509 -10.610 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.989 -11.537 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.020 -9.974 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.201 -8.619 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.591 -8.966 3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.114 -9.171 4.749 1.00 0.00 H new ATOM 1654 N GLN A 106 5.049 -12.152 -0.574 1.00 0.00 N ATOM 1655 CA GLN A 106 5.662 -13.271 -1.287 1.00 0.00 C ATOM 1656 C GLN A 106 6.593 -12.759 -2.379 1.00 0.00 C ATOM 1657 O GLN A 106 7.633 -13.354 -2.660 1.00 0.00 O ATOM 1658 CB GLN A 106 4.584 -14.169 -1.897 1.00 0.00 C ATOM 1659 CG GLN A 106 4.101 -15.264 -0.960 1.00 0.00 C ATOM 1660 CD GLN A 106 3.431 -16.407 -1.695 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.861 -16.802 -2.779 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.368 -16.946 -1.108 1.00 0.00 N ATOM 0 H GLN A 106 4.032 -12.196 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 106 6.244 -13.855 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.734 -13.553 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.976 -14.627 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.947 -15.649 -0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.400 -14.839 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.045 -16.588 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.875 -17.718 -1.556 1.00 0.00 H new ATOM 1671 N ILE A 107 6.209 -11.640 -2.976 1.00 0.00 N ATOM 1672 CA ILE A 107 6.996 -11.015 -4.028 1.00 0.00 C ATOM 1673 C ILE A 107 8.057 -10.105 -3.425 1.00 0.00 C ATOM 1674 O ILE A 107 9.240 -10.214 -3.742 1.00 0.00 O ATOM 1675 CB ILE A 107 6.105 -10.201 -4.980 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.831 -10.975 -5.334 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.882 -9.863 -6.229 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.649 -10.083 -5.644 1.00 0.00 C ATOM 0 H ILE A 107 5.349 -11.143 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 107 7.478 -11.810 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 107 5.806 -9.279 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.030 -11.613 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.572 -11.632 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.251 -9.286 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.761 -9.276 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.196 -10.783 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.782 -10.698 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.423 -9.463 -4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.889 -9.444 -6.494 1.00 0.00 H new ATOM 1690 N ILE A 108 7.617 -9.215 -2.544 1.00 0.00 N ATOM 1691 CA ILE A 108 8.514 -8.277 -1.866 1.00 0.00 C ATOM 1692 C ILE A 108 9.796 -8.955 -1.424 1.00 0.00 C ATOM 1693 O ILE A 108 10.891 -8.550 -1.803 1.00 0.00 O ATOM 1694 CB ILE A 108 7.847 -7.649 -0.625 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.472 -7.074 -0.993 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.761 -6.589 -0.015 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.259 -5.628 -0.588 1.00 0.00 C ATOM 0 H ILE A 108 6.637 -9.120 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 108 8.743 -7.497 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 108 7.689 -8.421 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.335 -7.159 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.701 -7.685 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.279 -6.153 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.704 -7.048 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.953 -5.808 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.261 -5.309 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.359 -5.534 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.003 -5.000 -1.077 1.00 0.00 H new ATOM 1709 N SER A 109 9.643 -9.992 -0.621 1.00 0.00 N ATOM 1710 CA SER A 109 10.783 -10.750 -0.112 1.00 0.00 C ATOM 1711 C SER A 109 11.768 -11.082 -1.230 1.00 0.00 C ATOM 1712 O SER A 109 12.961 -11.267 -0.987 1.00 0.00 O ATOM 1713 CB SER A 109 10.306 -12.036 0.564 1.00 0.00 C ATOM 1714 OG SER A 109 10.063 -11.828 1.945 1.00 0.00 O ATOM 0 H SER A 109 8.736 -10.334 -0.303 1.00 0.00 H new ATOM 0 HA SER A 109 11.297 -10.130 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.395 -12.388 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.056 -12.817 0.437 1.00 0.00 H new ATOM 0 HG SER A 109 9.758 -12.665 2.353 1.00 0.00 H new ATOM 1720 N ARG A 110 11.258 -11.151 -2.452 1.00 0.00 N ATOM 1721 CA ARG A 110 12.085 -11.456 -3.613 1.00 0.00 C ATOM 1722 C ARG A 110 12.956 -10.266 -4.000 1.00 0.00 C ATOM 1723 O ARG A 110 14.010 -10.434 -4.610 1.00 0.00 O ATOM 1724 CB ARG A 110 11.210 -11.871 -4.798 1.00 0.00 C ATOM 1725 CG ARG A 110 10.144 -12.893 -4.439 1.00 0.00 C ATOM 1726 CD ARG A 110 9.397 -13.375 -5.672 1.00 0.00 C ATOM 1727 NE ARG A 110 10.012 -14.564 -6.254 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.048 -15.751 -5.653 1.00 0.00 C ATOM 1729 NH1 ARG A 110 9.505 -15.910 -4.452 1.00 0.00 N ATOM 1730 NH2 ARG A 110 10.628 -16.782 -6.253 1.00 0.00 N ATOM 0 H ARG A 110 10.272 -10.999 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 110 12.740 -12.285 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.728 -10.985 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.846 -12.282 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.607 -13.743 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.439 -12.453 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.363 -13.595 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.373 -12.578 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 110 10.440 -14.480 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.058 -15.121 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.535 -16.822 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.047 -16.665 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.655 -17.691 -5.792 1.00 0.00 H new ATOM 1744 N TYR A 111 12.517 -9.064 -3.641 1.00 0.00 N ATOM 1745 CA TYR A 111 13.270 -7.854 -3.955 1.00 0.00 C ATOM 1746 C TYR A 111 14.454 -7.728 -3.010 1.00 0.00 C ATOM 1747 O TYR A 111 15.526 -7.262 -3.393 1.00 0.00 O ATOM 1748 CB TYR A 111 12.399 -6.593 -3.849 1.00 0.00 C ATOM 1749 CG TYR A 111 10.942 -6.767 -4.243 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.506 -7.857 -4.993 1.00 0.00 C ATOM 1751 CD2 TYR A 111 9.996 -5.824 -3.853 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.180 -7.998 -5.338 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.665 -5.960 -4.197 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.263 -7.049 -4.937 1.00 0.00 C ATOM 1755 OH TYR A 111 6.940 -7.188 -5.280 1.00 0.00 O ATOM 0 H TYR A 111 11.647 -8.901 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 111 13.616 -7.939 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.438 -6.231 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.837 -5.817 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.219 -8.604 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.308 -4.970 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.859 -8.849 -5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.945 -5.217 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 111 6.395 -7.240 -4.467 1.00 0.00 H new ATOM 1765 N LYS A 112 14.250 -8.172 -1.775 1.00 0.00 N ATOM 1766 CA LYS A 112 15.298 -8.139 -0.769 1.00 0.00 C ATOM 1767 C LYS A 112 16.178 -9.342 -0.976 1.00 0.00 C ATOM 1768 O LYS A 112 17.406 -9.262 -0.959 1.00 0.00 O ATOM 1769 CB LYS A 112 14.742 -8.147 0.662 1.00 0.00 C ATOM 1770 CG LYS A 112 13.265 -8.451 0.737 1.00 0.00 C ATOM 1771 CD LYS A 112 12.467 -7.330 0.117 1.00 0.00 C ATOM 1772 CE LYS A 112 12.507 -6.088 0.972 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.263 -5.279 0.844 1.00 0.00 N ATOM 0 H LYS A 112 13.365 -8.560 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 112 15.857 -7.211 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.286 -8.886 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.928 -7.176 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.053 -9.387 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.967 -8.587 1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.862 -7.105 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.433 -7.648 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.649 -6.371 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.365 -5.480 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.466 -4.289 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.917 -5.327 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.537 -5.655 1.487 1.00 0.00 H new ATOM 1787 N ASP A 113 15.510 -10.460 -1.211 1.00 0.00 N ATOM 1788 CA ASP A 113 16.190 -11.714 -1.475 1.00 0.00 C ATOM 1789 C ASP A 113 17.024 -11.571 -2.735 1.00 0.00 C ATOM 1790 O ASP A 113 18.089 -12.174 -2.869 1.00 0.00 O ATOM 1791 CB ASP A 113 15.182 -12.854 -1.631 1.00 0.00 C ATOM 1792 CG ASP A 113 15.853 -14.209 -1.734 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.855 -14.321 -2.470 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.376 -15.159 -1.077 1.00 0.00 O ATOM 0 H ASP A 113 14.492 -10.522 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 113 16.839 -11.954 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.501 -12.853 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.578 -12.682 -2.522 1.00 0.00 H new ATOM 1799 N ALA A 114 16.535 -10.740 -3.650 1.00 0.00 N ATOM 1800 CA ALA A 114 17.230 -10.479 -4.894 1.00 0.00 C ATOM 1801 C ALA A 114 18.133 -9.256 -4.761 1.00 0.00 C ATOM 1802 O ALA A 114 19.053 -9.062 -5.555 1.00 0.00 O ATOM 1803 CB ALA A 114 16.244 -10.289 -6.036 1.00 0.00 C ATOM 0 H ALA A 114 15.654 -10.236 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 114 17.852 -11.345 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.790 -10.094 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.644 -11.191 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.591 -9.445 -5.816 1.00 0.00 H new