USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 837 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 92 ASN : amide:sc= -1.81! C(o=-1.8!,f=-4.8!) USER MOD Set 1.2: A 95 MET CE :methyl -136:sc= 0 (180deg=-0.00297) USER MOD Set 2.1: A 46 TYR OH : rot 130:sc= -0.84 USER MOD Set 2.2: A 88 ASN : amide:sc= -2.34! K(o=-3.2!,f=-1.8) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 166:sc=-0.00449 (180deg=-0.242) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.452 K(o=-0.46,f=-1.1) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -1.41 (180deg=-2.13!) USER MOD Single : A 28 SER OG : rot 83:sc= 0.547 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.052) USER MOD Single : A 39 CYS SG : rot 148:sc= -7.01! USER MOD Single : A 44 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3!) USER MOD Single : A 48 ASN : amide:sc= -3.21 K(o=-3.2,f=-0.87) USER MOD Single : A 53 THR OG1 : rot -29:sc= 0.32 USER MOD Single : A 57 SER OG : rot 180:sc=-0.000278 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -1.13 (180deg=-1.72) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 133:sc= 0.0981 (180deg=-0.218) USER MOD Single : A 76 ASN : amide:sc= 0.93 K(o=0.93,f=-9.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 140:sc= -0.276 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.092) USER MOD Single : A 86 SER OG : rot 160:sc= -1.03 USER MOD Single : A 89 ASN : amide:sc= -4.55! C(o=-4.5!,f=-3.3!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.629 8.774 -0.677 1.00 0.00 N ATOM 42 CA LYS A 3 -7.631 9.761 -0.182 1.00 0.00 C ATOM 43 C LYS A 3 -8.151 9.330 1.192 1.00 0.00 C ATOM 44 O LYS A 3 -8.179 10.108 2.125 1.00 0.00 O ATOM 45 CB LYS A 3 -8.798 9.838 -1.167 1.00 0.00 C ATOM 46 CG LYS A 3 -8.304 10.397 -2.503 1.00 0.00 C ATOM 47 CD LYS A 3 -9.430 10.323 -3.536 1.00 0.00 C ATOM 48 CE LYS A 3 -8.982 11.004 -4.830 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.888 10.209 -5.457 1.00 0.00 N ATOM 0 HA LYS A 3 -7.159 10.740 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.230 8.848 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.586 10.474 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.978 11.430 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.440 9.829 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.690 9.283 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.326 10.808 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.823 11.091 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.636 12.016 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.745 10.527 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.009 10.343 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.146 9.201 -5.454 1.00 0.00 H new ATOM 63 N PHE A 4 -8.568 8.097 1.326 1.00 0.00 N ATOM 64 CA PHE A 4 -9.089 7.625 2.643 1.00 0.00 C ATOM 65 C PHE A 4 -7.924 7.291 3.578 1.00 0.00 C ATOM 66 O PHE A 4 -6.802 7.101 3.155 1.00 0.00 O ATOM 67 CB PHE A 4 -9.983 6.397 2.463 1.00 0.00 C ATOM 68 CG PHE A 4 -9.327 5.389 1.548 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.365 4.501 2.048 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.697 5.332 0.200 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.775 3.559 1.194 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.107 4.394 -0.652 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.148 3.508 -0.156 1.00 0.00 C ATOM 0 H PHE A 4 -8.570 7.399 0.582 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.685 8.424 3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.182 5.940 3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.945 6.699 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.079 4.542 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.441 6.015 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.033 2.873 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.392 4.354 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.693 2.782 -0.814 1.00 0.00 H new ATOM 83 N THR A 5 -8.194 7.239 4.857 1.00 0.00 N ATOM 84 CA THR A 5 -7.127 6.941 5.860 1.00 0.00 C ATOM 85 C THR A 5 -7.026 5.441 6.103 1.00 0.00 C ATOM 86 O THR A 5 -7.926 4.676 5.810 1.00 0.00 O ATOM 87 CB THR A 5 -7.440 7.634 7.184 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.547 7.164 8.183 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.875 7.326 7.597 1.00 0.00 C ATOM 0 H THR A 5 -9.121 7.392 5.254 1.00 0.00 H new ATOM 0 HA THR A 5 -6.180 7.309 5.465 1.00 0.00 H new ATOM 0 HB THR A 5 -7.323 8.711 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.745 7.609 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.096 7.822 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.560 7.686 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.997 6.249 7.715 1.00 0.00 H new ATOM 97 N GLU A 6 -5.923 5.024 6.644 1.00 0.00 N ATOM 98 CA GLU A 6 -5.709 3.583 6.932 1.00 0.00 C ATOM 99 C GLU A 6 -6.943 3.002 7.636 1.00 0.00 C ATOM 100 O GLU A 6 -7.381 1.916 7.329 1.00 0.00 O ATOM 101 CB GLU A 6 -4.480 3.433 7.836 1.00 0.00 C ATOM 102 CG GLU A 6 -4.033 1.974 7.854 1.00 0.00 C ATOM 103 CD GLU A 6 -2.966 1.777 8.933 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.061 2.593 9.000 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.071 0.813 9.674 1.00 0.00 O ATOM 0 H GLU A 6 -5.146 5.631 6.904 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.549 3.043 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.671 4.067 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.717 3.764 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.886 1.324 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.635 1.693 6.879 1.00 0.00 H new ATOM 112 N GLU A 7 -7.510 3.721 8.572 1.00 0.00 N ATOM 113 CA GLU A 7 -8.718 3.200 9.285 1.00 0.00 C ATOM 114 C GLU A 7 -9.742 2.704 8.256 1.00 0.00 C ATOM 115 O GLU A 7 -10.416 1.705 8.450 1.00 0.00 O ATOM 116 CB GLU A 7 -9.342 4.317 10.126 1.00 0.00 C ATOM 117 CG GLU A 7 -8.283 4.923 11.050 1.00 0.00 C ATOM 118 CD GLU A 7 -7.791 3.858 12.032 1.00 0.00 C ATOM 119 OE1 GLU A 7 -6.862 3.147 11.687 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.352 3.771 13.112 1.00 0.00 O ATOM 0 H GLU A 7 -7.191 4.642 8.873 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.426 2.377 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.754 5.088 9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.169 3.922 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.448 5.304 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.702 5.769 11.595 1.00 0.00 H new ATOM 127 N GLU A 8 -9.851 3.385 7.151 1.00 0.00 N ATOM 128 CA GLU A 8 -10.809 2.951 6.110 1.00 0.00 C ATOM 129 C GLU A 8 -10.329 1.626 5.531 1.00 0.00 C ATOM 130 O GLU A 8 -11.082 0.686 5.400 1.00 0.00 O ATOM 131 CB GLU A 8 -10.845 4.007 5.010 1.00 0.00 C ATOM 132 CG GLU A 8 -12.056 3.790 4.104 1.00 0.00 C ATOM 133 CD GLU A 8 -13.337 4.145 4.860 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.397 5.233 5.409 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.238 3.322 4.879 1.00 0.00 O ATOM 0 H GLU A 8 -9.315 4.224 6.928 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.806 2.828 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.888 5.002 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.929 3.960 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.968 4.406 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.093 2.752 3.773 1.00 0.00 H new ATOM 142 N ASP A 9 -9.067 1.552 5.183 1.00 0.00 N ATOM 143 CA ASP A 9 -8.516 0.281 4.606 1.00 0.00 C ATOM 144 C ASP A 9 -8.983 -0.907 5.455 1.00 0.00 C ATOM 145 O ASP A 9 -9.154 -2.010 4.972 1.00 0.00 O ATOM 146 CB ASP A 9 -6.985 0.333 4.596 1.00 0.00 C ATOM 147 CG ASP A 9 -6.432 -1.005 4.096 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.501 -1.243 2.903 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.954 -1.768 4.918 1.00 0.00 O ATOM 0 H ASP A 9 -8.395 2.314 5.272 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.875 0.165 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.642 1.144 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.611 0.542 5.598 1.00 0.00 H new ATOM 154 N LEU A 10 -9.220 -0.681 6.714 1.00 0.00 N ATOM 155 CA LEU A 10 -9.708 -1.786 7.582 1.00 0.00 C ATOM 156 C LEU A 10 -11.162 -2.045 7.198 1.00 0.00 C ATOM 157 O LEU A 10 -11.611 -3.174 7.092 1.00 0.00 O ATOM 158 CB LEU A 10 -9.603 -1.378 9.065 1.00 0.00 C ATOM 159 CG LEU A 10 -8.349 -0.525 9.278 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.200 -0.196 10.762 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.109 -1.283 8.789 1.00 0.00 C ATOM 0 H LEU A 10 -9.098 0.218 7.179 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.110 -2.687 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.490 -0.818 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.561 -2.267 9.695 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.446 0.400 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.307 0.411 10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.076 0.357 11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.110 -1.120 11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.222 -0.669 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.008 -2.214 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.214 -1.506 7.727 1.00 0.00 H new ATOM 173 N LYS A 11 -11.896 -0.992 6.954 1.00 0.00 N ATOM 174 CA LYS A 11 -13.312 -1.158 6.539 1.00 0.00 C ATOM 175 C LYS A 11 -13.338 -2.001 5.266 1.00 0.00 C ATOM 176 O LYS A 11 -14.158 -2.878 5.112 1.00 0.00 O ATOM 177 CB LYS A 11 -13.945 0.212 6.261 1.00 0.00 C ATOM 178 CG LYS A 11 -13.771 1.143 7.473 1.00 0.00 C ATOM 179 CD LYS A 11 -14.731 0.742 8.603 1.00 0.00 C ATOM 180 CE LYS A 11 -14.745 1.836 9.673 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.718 1.473 10.742 1.00 0.00 N ATOM 0 H LYS A 11 -11.573 -0.027 7.025 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.878 -1.646 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.483 0.661 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.005 0.091 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.742 1.097 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.960 2.175 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.735 0.594 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.418 -0.206 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.749 1.956 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.018 2.792 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.728 2.216 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.668 1.380 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.438 0.569 11.174 1.00 0.00 H new ATOM 195 N LEU A 12 -12.432 -1.754 4.353 1.00 0.00 N ATOM 196 CA LEU A 12 -12.398 -2.553 3.099 1.00 0.00 C ATOM 197 C LEU A 12 -12.337 -4.038 3.460 1.00 0.00 C ATOM 198 O LEU A 12 -13.052 -4.844 2.919 1.00 0.00 O ATOM 199 CB LEU A 12 -11.153 -2.173 2.276 1.00 0.00 C ATOM 200 CG LEU A 12 -11.435 -0.944 1.403 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.889 0.222 2.280 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.153 -0.554 0.660 1.00 0.00 C ATOM 0 H LEU A 12 -11.715 -1.032 4.426 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.292 -2.351 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.318 -1.966 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.857 -3.012 1.647 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.222 -1.179 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.088 1.092 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.798 -0.056 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.106 0.463 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.345 0.319 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.371 -0.320 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.830 -1.384 0.032 1.00 0.00 H new ATOM 214 N GLN A 13 -11.489 -4.416 4.372 1.00 0.00 N ATOM 215 CA GLN A 13 -11.407 -5.861 4.728 1.00 0.00 C ATOM 216 C GLN A 13 -12.807 -6.378 5.075 1.00 0.00 C ATOM 217 O GLN A 13 -13.173 -7.484 4.732 1.00 0.00 O ATOM 218 CB GLN A 13 -10.488 -6.027 5.943 1.00 0.00 C ATOM 219 CG GLN A 13 -10.333 -7.512 6.287 1.00 0.00 C ATOM 220 CD GLN A 13 -9.392 -7.653 7.483 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.534 -8.514 7.500 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.519 -6.837 8.493 1.00 0.00 N ATOM 0 H GLN A 13 -10.856 -3.799 4.881 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.009 -6.426 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.512 -5.591 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.900 -5.489 6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.305 -7.947 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.937 -8.057 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.239 -6.115 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.898 -6.921 9.298 1.00 0.00 H new ATOM 231 N GLN A 14 -13.596 -5.589 5.749 1.00 0.00 N ATOM 232 CA GLN A 14 -14.974 -6.051 6.120 1.00 0.00 C ATOM 233 C GLN A 14 -15.954 -5.884 4.952 1.00 0.00 C ATOM 234 O GLN A 14 -16.627 -6.811 4.556 1.00 0.00 O ATOM 235 CB GLN A 14 -15.486 -5.230 7.292 1.00 0.00 C ATOM 236 CG GLN A 14 -14.468 -5.265 8.433 1.00 0.00 C ATOM 237 CD GLN A 14 -15.048 -4.555 9.658 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.925 -5.076 10.316 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.591 -3.379 9.993 1.00 0.00 N ATOM 0 H GLN A 14 -13.353 -4.648 6.060 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.911 -7.107 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.659 -4.201 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.443 -5.625 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.220 -6.297 8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.542 -4.780 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.854 -2.942 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.971 -2.897 10.808 1.00 0.00 H new ATOM 248 N LEU A 15 -16.059 -4.704 4.412 1.00 0.00 N ATOM 249 CA LEU A 15 -17.014 -4.486 3.292 1.00 0.00 C ATOM 250 C LEU A 15 -16.648 -5.422 2.148 1.00 0.00 C ATOM 251 O LEU A 15 -17.464 -6.175 1.657 1.00 0.00 O ATOM 252 CB LEU A 15 -16.922 -3.033 2.812 1.00 0.00 C ATOM 253 CG LEU A 15 -17.122 -2.065 3.989 1.00 0.00 C ATOM 254 CD1 LEU A 15 -16.794 -0.642 3.529 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.578 -2.120 4.488 1.00 0.00 C ATOM 0 H LEU A 15 -15.526 -3.882 4.697 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.031 -4.687 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.951 -2.857 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.677 -2.847 2.048 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.461 -2.355 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.934 0.050 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.759 -0.599 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.456 -0.363 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.703 -1.429 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.251 -1.838 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.812 -3.132 4.818 1.00 0.00 H new ATOM 267 N VAL A 16 -15.421 -5.380 1.728 1.00 0.00 N ATOM 268 CA VAL A 16 -14.981 -6.260 0.619 1.00 0.00 C ATOM 269 C VAL A 16 -15.253 -7.715 0.993 1.00 0.00 C ATOM 270 O VAL A 16 -15.563 -8.527 0.147 1.00 0.00 O ATOM 271 CB VAL A 16 -13.484 -6.065 0.363 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.077 -6.871 -0.871 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.180 -4.574 0.125 1.00 0.00 C ATOM 0 H VAL A 16 -14.698 -4.769 2.108 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.532 -6.006 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.922 -6.408 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.012 -6.736 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.285 -7.927 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.644 -6.525 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.113 -4.445 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.740 -4.222 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.471 -3.999 1.004 1.00 0.00 H new ATOM 283 N MET A 17 -15.155 -8.060 2.253 1.00 0.00 N ATOM 284 CA MET A 17 -15.432 -9.464 2.635 1.00 0.00 C ATOM 285 C MET A 17 -16.913 -9.749 2.373 1.00 0.00 C ATOM 286 O MET A 17 -17.296 -10.857 2.049 1.00 0.00 O ATOM 287 CB MET A 17 -15.091 -9.667 4.117 1.00 0.00 C ATOM 288 CG MET A 17 -15.611 -11.021 4.595 1.00 0.00 C ATOM 289 SD MET A 17 -14.864 -11.425 6.194 1.00 0.00 S ATOM 290 CE MET A 17 -15.838 -12.914 6.529 1.00 0.00 C ATOM 0 H MET A 17 -14.899 -7.436 3.018 1.00 0.00 H new ATOM 0 HA MET A 17 -14.822 -10.151 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.012 -9.612 4.261 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.533 -8.868 4.713 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.697 -10.994 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.371 -11.793 3.864 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.537 -13.338 7.487 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.897 -12.656 6.563 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.668 -13.645 5.739 1.00 0.00 H new ATOM 300 N ARG A 18 -17.753 -8.752 2.500 1.00 0.00 N ATOM 301 CA ARG A 18 -19.208 -8.963 2.248 1.00 0.00 C ATOM 302 C ARG A 18 -19.472 -8.963 0.738 1.00 0.00 C ATOM 303 O ARG A 18 -20.413 -9.572 0.267 1.00 0.00 O ATOM 304 CB ARG A 18 -20.005 -7.831 2.902 1.00 0.00 C ATOM 305 CG ARG A 18 -21.502 -8.106 2.748 1.00 0.00 C ATOM 306 CD ARG A 18 -22.295 -7.098 3.581 1.00 0.00 C ATOM 307 NE ARG A 18 -22.083 -7.373 5.030 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.489 -6.514 5.926 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.081 -5.413 5.552 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.302 -6.757 7.194 1.00 0.00 N ATOM 0 H ARG A 18 -17.493 -7.803 2.767 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.515 -9.920 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.746 -7.752 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.750 -6.878 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.790 -8.033 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.731 -9.121 3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.977 -6.083 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.356 -7.165 3.339 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.620 -8.234 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.226 -5.224 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.398 -4.742 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.839 -7.618 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -22.619 -6.086 7.894 1.00 0.00 H new ATOM 324 N TYR A 19 -18.648 -8.282 -0.026 1.00 0.00 N ATOM 325 CA TYR A 19 -18.839 -8.231 -1.512 1.00 0.00 C ATOM 326 C TYR A 19 -17.865 -9.200 -2.186 1.00 0.00 C ATOM 327 O TYR A 19 -17.907 -9.410 -3.381 1.00 0.00 O ATOM 328 CB TYR A 19 -18.560 -6.808 -2.004 1.00 0.00 C ATOM 329 CG TYR A 19 -19.543 -5.857 -1.351 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.904 -5.950 -1.661 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.102 -4.899 -0.426 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.823 -5.088 -1.052 1.00 0.00 C ATOM 333 CE2 TYR A 19 -20.023 -4.041 0.186 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.383 -4.134 -0.127 1.00 0.00 C ATOM 335 OH TYR A 19 -22.289 -3.288 0.477 1.00 0.00 O ATOM 0 H TYR A 19 -17.846 -7.756 0.320 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.862 -8.514 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.538 -6.519 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.654 -6.760 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.246 -6.688 -2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.052 -4.824 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.873 -5.159 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.683 -3.306 0.901 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.817 -2.689 1.092 1.00 0.00 H new ATOM 345 N GLY A 20 -16.986 -9.789 -1.422 1.00 0.00 N ATOM 346 CA GLY A 20 -15.999 -10.744 -2.000 1.00 0.00 C ATOM 347 C GLY A 20 -14.829 -9.963 -2.591 1.00 0.00 C ATOM 348 O GLY A 20 -13.736 -9.987 -2.067 1.00 0.00 O ATOM 0 H GLY A 20 -16.909 -9.648 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.643 -11.428 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.472 -11.352 -2.771 1.00 0.00 H new ATOM 352 N ALA A 21 -15.074 -9.266 -3.674 1.00 0.00 N ATOM 353 CA ALA A 21 -14.011 -8.449 -4.354 1.00 0.00 C ATOM 354 C ALA A 21 -14.420 -8.227 -5.820 1.00 0.00 C ATOM 355 O ALA A 21 -13.654 -8.466 -6.734 1.00 0.00 O ATOM 356 CB ALA A 21 -12.645 -9.171 -4.295 1.00 0.00 C ATOM 0 H ALA A 21 -15.987 -9.226 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.912 -7.492 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.890 -8.563 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.359 -9.324 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.722 -10.136 -4.796 1.00 0.00 H new ATOM 362 N LYS A 22 -15.626 -7.782 -6.060 1.00 0.00 N ATOM 363 CA LYS A 22 -16.066 -7.562 -7.479 1.00 0.00 C ATOM 364 C LYS A 22 -17.158 -6.482 -7.575 1.00 0.00 C ATOM 365 O LYS A 22 -17.503 -6.055 -8.659 1.00 0.00 O ATOM 366 CB LYS A 22 -16.605 -8.877 -8.043 1.00 0.00 C ATOM 367 CG LYS A 22 -17.871 -9.289 -7.282 1.00 0.00 C ATOM 368 CD LYS A 22 -18.232 -10.741 -7.616 1.00 0.00 C ATOM 369 CE LYS A 22 -18.371 -10.911 -9.135 1.00 0.00 C ATOM 370 NZ LYS A 22 -19.079 -9.731 -9.707 1.00 0.00 N ATOM 0 H LYS A 22 -16.322 -7.562 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.205 -7.221 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.828 -8.764 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.848 -9.657 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.712 -9.182 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.697 -8.629 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.462 -11.413 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.165 -11.015 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.386 -11.013 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.923 -11.823 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.598 -10.018 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.748 -9.354 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.386 -8.996 -9.954 1.00 0.00 H new ATOM 384 N ASP A 23 -17.697 -6.023 -6.465 1.00 0.00 N ATOM 385 CA ASP A 23 -18.757 -4.960 -6.507 1.00 0.00 C ATOM 386 C ASP A 23 -18.152 -3.654 -5.996 1.00 0.00 C ATOM 387 O ASP A 23 -18.710 -2.982 -5.151 1.00 0.00 O ATOM 388 CB ASP A 23 -19.930 -5.371 -5.608 1.00 0.00 C ATOM 389 CG ASP A 23 -20.274 -6.841 -5.860 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.667 -7.155 -6.972 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.139 -7.626 -4.937 1.00 0.00 O ATOM 0 H ASP A 23 -17.447 -6.341 -5.529 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.120 -4.830 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.669 -5.222 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.797 -4.743 -5.813 1.00 0.00 H new ATOM 396 N TRP A 24 -17.006 -3.299 -6.502 1.00 0.00 N ATOM 397 CA TRP A 24 -16.343 -2.046 -6.053 1.00 0.00 C ATOM 398 C TRP A 24 -17.199 -0.843 -6.429 1.00 0.00 C ATOM 399 O TRP A 24 -17.165 0.180 -5.777 1.00 0.00 O ATOM 400 CB TRP A 24 -14.976 -1.929 -6.725 1.00 0.00 C ATOM 401 CG TRP A 24 -14.164 -3.119 -6.353 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.970 -4.220 -7.115 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.443 -3.338 -5.122 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.163 -5.104 -6.417 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.811 -4.599 -5.178 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.282 -2.560 -3.973 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.037 -5.070 -4.118 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.507 -3.023 -2.907 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.884 -4.274 -2.975 1.00 0.00 C ATOM 0 H TRP A 24 -16.497 -3.826 -7.212 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.219 -2.072 -4.970 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.090 -1.871 -7.808 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.475 -1.014 -6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.376 -4.383 -8.102 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.866 -6.013 -6.772 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.760 -1.594 -3.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.561 -6.038 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.388 -2.411 -2.025 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.286 -4.626 -2.147 1.00 0.00 H new ATOM 420 N ILE A 25 -17.966 -0.952 -7.471 1.00 0.00 N ATOM 421 CA ILE A 25 -18.816 0.187 -7.873 1.00 0.00 C ATOM 422 C ILE A 25 -19.825 0.430 -6.764 1.00 0.00 C ATOM 423 O ILE A 25 -20.207 1.546 -6.494 1.00 0.00 O ATOM 424 CB ILE A 25 -19.545 -0.144 -9.185 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.077 -1.581 -9.135 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.577 -0.008 -10.364 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.007 -1.821 -10.325 1.00 0.00 C ATOM 0 H ILE A 25 -18.039 -1.782 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.209 1.078 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.376 0.549 -9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.248 -2.288 -9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.613 -1.750 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.098 -0.244 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.200 1.014 -10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.743 -0.697 -10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.386 -2.842 -10.290 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.843 -1.122 -10.281 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.456 -1.669 -11.253 1.00 0.00 H new ATOM 439 N ARG A 26 -20.244 -0.614 -6.101 1.00 0.00 N ATOM 440 CA ARG A 26 -21.221 -0.453 -5.001 1.00 0.00 C ATOM 441 C ARG A 26 -20.480 0.111 -3.794 1.00 0.00 C ATOM 442 O ARG A 26 -20.842 1.131 -3.240 1.00 0.00 O ATOM 443 CB ARG A 26 -21.846 -1.825 -4.670 1.00 0.00 C ATOM 444 CG ARG A 26 -23.250 -1.649 -4.073 1.00 0.00 C ATOM 445 CD ARG A 26 -23.186 -0.742 -2.841 1.00 0.00 C ATOM 446 NE ARG A 26 -24.458 -0.860 -2.072 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.711 -1.942 -1.388 1.00 0.00 C ATOM 448 NH1 ARG A 26 -23.851 -2.924 -1.376 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.825 -2.044 -0.715 1.00 0.00 N ATOM 0 H ARG A 26 -19.947 -1.573 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.024 0.227 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.902 -2.432 -5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.210 -2.360 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.919 -1.218 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.662 -2.620 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.341 -1.023 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.027 0.292 -3.145 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.131 -0.094 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.980 -2.846 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.050 -3.769 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.498 -1.278 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.022 -2.890 -0.180 1.00 0.00 H new ATOM 463 N ILE A 27 -19.427 -0.542 -3.390 1.00 0.00 N ATOM 464 CA ILE A 27 -18.651 -0.039 -2.231 1.00 0.00 C ATOM 465 C ILE A 27 -18.278 1.423 -2.471 1.00 0.00 C ATOM 466 O ILE A 27 -18.167 2.210 -1.551 1.00 0.00 O ATOM 467 CB ILE A 27 -17.375 -0.861 -2.070 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.741 -2.339 -1.907 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.616 -0.377 -0.833 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.479 -3.203 -1.966 1.00 0.00 C ATOM 0 H ILE A 27 -19.073 -1.400 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.255 -0.125 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.745 -0.741 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.252 -2.492 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.434 -2.639 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.704 -0.962 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.360 0.676 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.243 -0.500 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.751 -4.252 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.985 -3.061 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.801 -2.912 -1.164 1.00 0.00 H new ATOM 482 N SER A 28 -18.082 1.787 -3.707 1.00 0.00 N ATOM 483 CA SER A 28 -17.711 3.191 -4.019 1.00 0.00 C ATOM 484 C SER A 28 -18.937 4.092 -3.838 1.00 0.00 C ATOM 485 O SER A 28 -18.812 5.254 -3.509 1.00 0.00 O ATOM 486 CB SER A 28 -17.189 3.268 -5.456 1.00 0.00 C ATOM 487 OG SER A 28 -15.884 2.708 -5.508 1.00 0.00 O ATOM 0 H SER A 28 -18.163 1.170 -4.515 1.00 0.00 H new ATOM 0 HA SER A 28 -16.926 3.531 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.857 2.728 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.167 4.304 -5.793 1.00 0.00 H new ATOM 0 HG SER A 28 -15.949 1.732 -5.576 1.00 0.00 H new ATOM 493 N GLN A 29 -20.125 3.570 -4.022 1.00 0.00 N ATOM 494 CA GLN A 29 -21.332 4.430 -3.821 1.00 0.00 C ATOM 495 C GLN A 29 -21.358 4.875 -2.360 1.00 0.00 C ATOM 496 O GLN A 29 -21.601 6.024 -2.051 1.00 0.00 O ATOM 497 CB GLN A 29 -22.623 3.650 -4.133 1.00 0.00 C ATOM 498 CG GLN A 29 -22.787 3.462 -5.648 1.00 0.00 C ATOM 499 CD GLN A 29 -24.230 3.056 -5.967 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.980 3.828 -6.530 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.650 1.868 -5.630 1.00 0.00 N ATOM 0 H GLN A 29 -20.310 2.605 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.280 5.287 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.595 2.678 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.484 4.185 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.536 4.387 -6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.097 2.698 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.020 1.220 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.608 1.587 -5.839 1.00 0.00 H new ATOM 510 N LEU A 30 -21.099 3.970 -1.457 1.00 0.00 N ATOM 511 CA LEU A 30 -21.096 4.342 -0.016 1.00 0.00 C ATOM 512 C LEU A 30 -20.069 5.454 0.199 1.00 0.00 C ATOM 513 O LEU A 30 -20.337 6.443 0.854 1.00 0.00 O ATOM 514 CB LEU A 30 -20.723 3.120 0.838 1.00 0.00 C ATOM 515 CG LEU A 30 -21.467 1.876 0.333 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.195 0.710 1.286 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.976 2.155 0.278 1.00 0.00 C ATOM 0 H LEU A 30 -20.890 2.991 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.087 4.687 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.647 2.952 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.976 3.305 1.882 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.117 1.624 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.720 -0.178 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.124 0.509 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.546 0.967 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.497 1.268 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.336 2.408 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.168 2.987 -0.399 1.00 0.00 H new ATOM 529 N MET A 31 -18.894 5.292 -0.359 1.00 0.00 N ATOM 530 CA MET A 31 -17.812 6.322 -0.218 1.00 0.00 C ATOM 531 C MET A 31 -17.429 6.847 -1.602 1.00 0.00 C ATOM 532 O MET A 31 -16.345 6.605 -2.088 1.00 0.00 O ATOM 533 CB MET A 31 -16.586 5.677 0.432 1.00 0.00 C ATOM 534 CG MET A 31 -16.967 5.126 1.807 1.00 0.00 C ATOM 535 SD MET A 31 -17.358 6.497 2.921 1.00 0.00 S ATOM 536 CE MET A 31 -17.290 5.560 4.467 1.00 0.00 C ATOM 0 H MET A 31 -18.633 4.478 -0.915 1.00 0.00 H new ATOM 0 HA MET A 31 -18.168 7.146 0.401 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.206 4.875 -0.200 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.786 6.411 0.532 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.825 4.460 1.718 1.00 0.00 H new ATOM 0 HG3 MET A 31 -16.146 4.536 2.214 1.00 0.00 H new ATOM 0 HE1 MET A 31 -17.505 6.224 5.304 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.029 4.759 4.440 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.295 5.132 4.590 1.00 0.00 H new ATOM 546 N ILE A 32 -18.308 7.566 -2.245 1.00 0.00 N ATOM 547 CA ILE A 32 -17.983 8.104 -3.598 1.00 0.00 C ATOM 548 C ILE A 32 -16.718 8.968 -3.523 1.00 0.00 C ATOM 549 O ILE A 32 -16.252 9.486 -4.519 1.00 0.00 O ATOM 550 CB ILE A 32 -19.159 8.941 -4.138 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.685 9.914 -3.063 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.299 8.008 -4.555 1.00 0.00 C ATOM 553 CD1 ILE A 32 -18.647 11.002 -2.740 1.00 0.00 C ATOM 0 H ILE A 32 -19.235 7.804 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.808 7.269 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.803 9.516 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.607 10.380 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.929 9.360 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.131 8.599 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.948 7.330 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.630 7.430 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.047 11.672 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.734 10.536 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.423 11.570 -3.643 1.00 0.00 H new ATOM 565 N THR A 33 -16.156 9.128 -2.355 1.00 0.00 N ATOM 566 CA THR A 33 -14.925 9.957 -2.228 1.00 0.00 C ATOM 567 C THR A 33 -13.735 9.200 -2.821 1.00 0.00 C ATOM 568 O THR A 33 -12.610 9.658 -2.772 1.00 0.00 O ATOM 569 CB THR A 33 -14.657 10.251 -0.750 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.343 9.039 -0.078 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.901 10.879 -0.118 1.00 0.00 C ATOM 0 H THR A 33 -16.497 8.720 -1.484 1.00 0.00 H new ATOM 0 HA THR A 33 -15.063 10.895 -2.766 1.00 0.00 H new ATOM 0 HB THR A 33 -13.820 10.944 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.169 9.225 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.709 11.088 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.142 11.808 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.740 10.189 -0.203 1.00 0.00 H new ATOM 579 N ARG A 34 -13.970 8.040 -3.381 1.00 0.00 N ATOM 580 CA ARG A 34 -12.849 7.249 -3.979 1.00 0.00 C ATOM 581 C ARG A 34 -13.393 6.404 -5.133 1.00 0.00 C ATOM 582 O ARG A 34 -14.550 6.038 -5.154 1.00 0.00 O ATOM 583 CB ARG A 34 -12.244 6.334 -2.902 1.00 0.00 C ATOM 584 CG ARG A 34 -13.261 5.242 -2.494 1.00 0.00 C ATOM 585 CD ARG A 34 -13.017 4.800 -1.045 1.00 0.00 C ATOM 586 NE ARG A 34 -13.987 3.728 -0.684 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.844 3.066 0.431 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.851 3.341 1.231 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.693 2.126 0.746 1.00 0.00 N ATOM 0 H ARG A 34 -14.890 7.605 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.077 7.921 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.333 5.870 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.963 6.924 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.276 5.624 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.173 4.385 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.996 4.435 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.129 5.649 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.763 3.512 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.186 4.074 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.740 2.823 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.469 1.909 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.581 1.609 1.618 1.00 0.00 H new ATOM 603 N ASN A 35 -12.568 6.098 -6.101 1.00 0.00 N ATOM 604 CA ASN A 35 -13.039 5.284 -7.263 1.00 0.00 C ATOM 605 C ASN A 35 -12.922 3.794 -6.923 1.00 0.00 C ATOM 606 O ASN A 35 -12.113 3.409 -6.106 1.00 0.00 O ATOM 607 CB ASN A 35 -12.167 5.620 -8.488 1.00 0.00 C ATOM 608 CG ASN A 35 -12.648 6.926 -9.130 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.637 7.966 -8.501 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.072 6.916 -10.364 1.00 0.00 N ATOM 0 H ASN A 35 -11.587 6.377 -6.138 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.081 5.512 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.124 5.715 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.216 4.808 -9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.394 7.780 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.082 6.044 -10.893 1.00 0.00 H new ATOM 617 N PRO A 36 -13.718 2.947 -7.538 1.00 0.00 N ATOM 618 CA PRO A 36 -13.661 1.487 -7.259 1.00 0.00 C ATOM 619 C PRO A 36 -12.227 0.964 -7.404 1.00 0.00 C ATOM 620 O PRO A 36 -11.814 0.039 -6.732 1.00 0.00 O ATOM 621 CB PRO A 36 -14.603 0.852 -8.314 1.00 0.00 C ATOM 622 CG PRO A 36 -14.904 1.942 -9.305 1.00 0.00 C ATOM 623 CD PRO A 36 -14.743 3.262 -8.549 1.00 0.00 C ATOM 0 HA PRO A 36 -13.967 1.243 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.127 0.001 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.517 0.483 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.223 1.894 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.915 1.841 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.423 4.068 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.679 3.579 -8.089 1.00 0.00 H new ATOM 631 N ARG A 37 -11.473 1.563 -8.283 1.00 0.00 N ATOM 632 CA ARG A 37 -10.068 1.126 -8.494 1.00 0.00 C ATOM 633 C ARG A 37 -9.216 1.545 -7.294 1.00 0.00 C ATOM 634 O ARG A 37 -8.212 0.931 -6.992 1.00 0.00 O ATOM 635 CB ARG A 37 -9.518 1.783 -9.761 1.00 0.00 C ATOM 636 CG ARG A 37 -10.425 1.448 -10.946 1.00 0.00 C ATOM 637 CD ARG A 37 -9.904 2.147 -12.203 1.00 0.00 C ATOM 638 NE ARG A 37 -9.976 3.623 -12.015 1.00 0.00 N ATOM 639 CZ ARG A 37 -11.131 4.230 -12.048 1.00 0.00 C ATOM 640 NH1 ARG A 37 -12.225 3.546 -12.244 1.00 0.00 N ATOM 641 NH2 ARG A 37 -11.192 5.524 -11.884 1.00 0.00 N ATOM 0 H ARG A 37 -11.774 2.343 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.037 0.042 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.461 2.863 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.505 1.432 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.453 0.370 -11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.446 1.767 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.876 1.844 -12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.496 1.850 -13.069 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.122 4.159 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.178 2.535 -12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.127 4.022 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.338 6.059 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.094 5.999 -11.910 1.00 0.00 H new ATOM 655 N GLN A 38 -9.597 2.593 -6.613 1.00 0.00 N ATOM 656 CA GLN A 38 -8.794 3.052 -5.446 1.00 0.00 C ATOM 657 C GLN A 38 -8.901 2.044 -4.303 1.00 0.00 C ATOM 658 O GLN A 38 -7.918 1.726 -3.663 1.00 0.00 O ATOM 659 CB GLN A 38 -9.299 4.417 -4.972 1.00 0.00 C ATOM 660 CG GLN A 38 -8.925 5.492 -5.999 1.00 0.00 C ATOM 661 CD GLN A 38 -7.422 5.770 -5.930 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.636 5.085 -6.553 1.00 0.00 O ATOM 663 NE2 GLN A 38 -6.986 6.756 -5.193 1.00 0.00 N ATOM 0 H GLN A 38 -10.428 3.149 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.751 3.137 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.380 4.389 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.864 4.660 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.198 5.162 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.483 6.407 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.645 7.332 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.986 6.950 -5.141 1.00 0.00 H new ATOM 672 N CYS A 39 -10.072 1.530 -4.024 1.00 0.00 N ATOM 673 CA CYS A 39 -10.177 0.547 -2.910 1.00 0.00 C ATOM 674 C CYS A 39 -9.651 -0.798 -3.395 1.00 0.00 C ATOM 675 O CYS A 39 -9.107 -1.577 -2.636 1.00 0.00 O ATOM 676 CB CYS A 39 -11.633 0.399 -2.493 1.00 0.00 C ATOM 677 SG CYS A 39 -12.332 2.023 -2.135 1.00 0.00 S ATOM 0 H CYS A 39 -10.943 1.744 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.594 0.892 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.201 -0.085 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.706 -0.241 -1.614 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.595 2.029 -2.443 1.00 0.00 H new ATOM 683 N ARG A 40 -9.803 -1.074 -4.658 1.00 0.00 N ATOM 684 CA ARG A 40 -9.308 -2.367 -5.198 1.00 0.00 C ATOM 685 C ARG A 40 -7.807 -2.471 -4.937 1.00 0.00 C ATOM 686 O ARG A 40 -7.316 -3.464 -4.437 1.00 0.00 O ATOM 687 CB ARG A 40 -9.567 -2.415 -6.706 1.00 0.00 C ATOM 688 CG ARG A 40 -8.948 -3.678 -7.336 1.00 0.00 C ATOM 689 CD ARG A 40 -9.436 -4.941 -6.614 1.00 0.00 C ATOM 690 NE ARG A 40 -9.235 -6.122 -7.501 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.417 -7.328 -7.035 1.00 0.00 C ATOM 692 NH1 ARG A 40 -9.773 -7.501 -5.791 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.242 -8.361 -7.813 1.00 0.00 N ATOM 0 H ARG A 40 -10.249 -0.460 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.825 -3.195 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.641 -2.400 -6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.148 -1.527 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.214 -3.731 -8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.861 -3.621 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.889 -5.075 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.490 -4.842 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.955 -5.988 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.909 -6.694 -5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.915 -8.443 -5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.963 -8.226 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.384 -9.303 -7.449 1.00 0.00 H new ATOM 707 N GLU A 41 -7.075 -1.446 -5.280 1.00 0.00 N ATOM 708 CA GLU A 41 -5.603 -1.471 -5.062 1.00 0.00 C ATOM 709 C GLU A 41 -5.305 -1.844 -3.609 1.00 0.00 C ATOM 710 O GLU A 41 -4.297 -2.453 -3.311 1.00 0.00 O ATOM 711 CB GLU A 41 -5.017 -0.089 -5.366 1.00 0.00 C ATOM 712 CG GLU A 41 -5.068 0.172 -6.874 1.00 0.00 C ATOM 713 CD GLU A 41 -4.035 -0.707 -7.586 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.242 -1.329 -6.899 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.059 -0.743 -8.805 1.00 0.00 O ATOM 0 H GLU A 41 -7.435 -0.591 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.152 -2.210 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.578 0.680 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.988 -0.034 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.066 -0.041 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.867 1.224 -7.078 1.00 0.00 H new ATOM 722 N ARG A 42 -6.172 -1.485 -2.699 1.00 0.00 N ATOM 723 CA ARG A 42 -5.916 -1.827 -1.267 1.00 0.00 C ATOM 724 C ARG A 42 -6.073 -3.345 -1.072 1.00 0.00 C ATOM 725 O ARG A 42 -5.316 -3.963 -0.351 1.00 0.00 O ATOM 726 CB ARG A 42 -6.909 -1.041 -0.371 1.00 0.00 C ATOM 727 CG ARG A 42 -6.183 0.083 0.396 1.00 0.00 C ATOM 728 CD ARG A 42 -5.567 1.108 -0.582 1.00 0.00 C ATOM 729 NE ARG A 42 -4.163 0.717 -0.896 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.540 1.265 -1.903 1.00 0.00 C ATOM 731 NH1 ARG A 42 -4.147 2.156 -2.640 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.311 0.923 -2.174 1.00 0.00 N ATOM 0 H ARG A 42 -7.037 -0.976 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.901 -1.548 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.701 -0.615 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.385 -1.721 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.884 0.586 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.400 -0.345 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.157 1.152 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.588 2.105 -0.141 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.688 0.020 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.108 2.424 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.660 2.584 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.837 0.227 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.824 1.351 -2.961 1.00 0.00 H new ATOM 746 N TRP A 43 -7.046 -3.945 -1.704 1.00 0.00 N ATOM 747 CA TRP A 43 -7.249 -5.419 -1.552 1.00 0.00 C ATOM 748 C TRP A 43 -5.922 -6.157 -1.695 1.00 0.00 C ATOM 749 O TRP A 43 -5.504 -6.846 -0.797 1.00 0.00 O ATOM 750 CB TRP A 43 -8.206 -5.884 -2.655 1.00 0.00 C ATOM 751 CG TRP A 43 -8.549 -7.334 -2.489 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.253 -8.306 -3.384 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.258 -7.991 -1.394 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.730 -9.514 -2.909 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.354 -9.374 -1.686 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.817 -7.532 -0.188 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.982 -10.265 -0.815 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.451 -8.427 0.690 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.531 -9.790 0.378 1.00 0.00 C ATOM 0 H TRP A 43 -7.711 -3.479 -2.321 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.660 -5.633 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.117 -5.285 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.748 -5.724 -3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.729 -8.161 -4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.632 -10.401 -3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.759 -6.484 0.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.043 -11.315 -1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.879 -8.062 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.017 -10.473 1.059 1.00 0.00 H new ATOM 770 N ASN A 44 -5.249 -6.003 -2.800 1.00 0.00 N ATOM 771 CA ASN A 44 -3.948 -6.716 -2.988 1.00 0.00 C ATOM 772 C ASN A 44 -2.812 -5.989 -2.267 1.00 0.00 C ATOM 773 O ASN A 44 -1.865 -6.604 -1.816 1.00 0.00 O ATOM 774 CB ASN A 44 -3.628 -6.785 -4.483 1.00 0.00 C ATOM 775 CG ASN A 44 -4.845 -7.320 -5.241 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.002 -8.515 -5.393 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.717 -6.481 -5.725 1.00 0.00 N ATOM 0 H ASN A 44 -5.540 -5.416 -3.582 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.038 -7.718 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.361 -5.796 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.767 -7.432 -4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.532 -6.828 -6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.585 -5.478 -5.597 1.00 0.00 H new ATOM 784 N ASN A 45 -2.872 -4.689 -2.172 1.00 0.00 N ATOM 785 CA ASN A 45 -1.766 -3.936 -1.501 1.00 0.00 C ATOM 786 C ASN A 45 -2.028 -3.802 0.001 1.00 0.00 C ATOM 787 O ASN A 45 -1.381 -3.023 0.672 1.00 0.00 O ATOM 788 CB ASN A 45 -1.660 -2.540 -2.118 1.00 0.00 C ATOM 789 CG ASN A 45 -1.635 -2.657 -3.643 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.212 -3.662 -4.180 1.00 0.00 O ATOM 791 ND2 ASN A 45 -2.072 -1.665 -4.370 1.00 0.00 N ATOM 0 H ASN A 45 -3.635 -4.114 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.836 -4.486 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.504 -1.927 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.756 -2.043 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.058 -1.734 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.427 -0.821 -3.921 1.00 0.00 H new ATOM 798 N TYR A 46 -2.955 -4.549 0.553 1.00 0.00 N ATOM 799 CA TYR A 46 -3.208 -4.432 2.027 1.00 0.00 C ATOM 800 C TYR A 46 -3.722 -5.766 2.588 1.00 0.00 C ATOM 801 O TYR A 46 -3.137 -6.312 3.503 1.00 0.00 O ATOM 802 CB TYR A 46 -4.212 -3.285 2.293 1.00 0.00 C ATOM 803 CG TYR A 46 -3.814 -2.528 3.554 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.676 -3.222 4.762 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.581 -1.144 3.515 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.309 -2.540 5.927 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.214 -0.463 4.682 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.079 -1.161 5.887 1.00 0.00 C ATOM 809 OH TYR A 46 -2.718 -0.488 7.037 1.00 0.00 O ATOM 0 H TYR A 46 -3.539 -5.224 0.058 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.274 -4.197 2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.234 -2.605 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.218 -3.689 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.853 -4.287 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.685 -0.605 2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.203 -3.078 6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.035 0.602 4.652 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.926 0.062 6.859 1.00 0.00 H new ATOM 819 N ILE A 47 -4.797 -6.306 2.059 1.00 0.00 N ATOM 820 CA ILE A 47 -5.319 -7.616 2.588 1.00 0.00 C ATOM 821 C ILE A 47 -5.902 -8.484 1.452 1.00 0.00 C ATOM 822 O ILE A 47 -6.822 -8.114 0.751 1.00 0.00 O ATOM 823 CB ILE A 47 -6.365 -7.385 3.722 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.770 -7.032 3.189 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.898 -6.253 4.643 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.730 -5.757 2.345 1.00 0.00 C ATOM 0 H ILE A 47 -5.333 -5.903 1.291 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.479 -8.161 3.019 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.440 -8.328 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.154 -7.858 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.457 -6.898 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.634 -6.099 5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.939 -6.518 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.788 -5.336 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.732 -5.530 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.369 -4.929 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.061 -5.903 1.497 1.00 0.00 H new ATOM 838 N ASN A 48 -5.343 -9.656 1.296 1.00 0.00 N ATOM 839 CA ASN A 48 -5.803 -10.632 0.259 1.00 0.00 C ATOM 840 C ASN A 48 -4.911 -11.890 0.324 1.00 0.00 C ATOM 841 O ASN A 48 -5.409 -12.999 0.316 1.00 0.00 O ATOM 842 CB ASN A 48 -5.774 -9.985 -1.163 1.00 0.00 C ATOM 843 CG ASN A 48 -4.939 -10.803 -2.166 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.413 -11.776 -2.718 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.710 -10.442 -2.420 1.00 0.00 N ATOM 0 H ASN A 48 -4.562 -9.988 1.862 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.835 -10.919 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.794 -9.890 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.365 -8.977 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.148 -10.977 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.312 -9.625 -1.956 1.00 0.00 H new ATOM 852 N PRO A 49 -3.602 -11.732 0.363 1.00 0.00 N ATOM 853 CA PRO A 49 -2.651 -12.868 0.400 1.00 0.00 C ATOM 854 C PRO A 49 -2.135 -13.168 1.818 1.00 0.00 C ATOM 855 O PRO A 49 -1.474 -14.161 2.038 1.00 0.00 O ATOM 856 CB PRO A 49 -1.517 -12.353 -0.506 1.00 0.00 C ATOM 857 CG PRO A 49 -1.538 -10.838 -0.362 1.00 0.00 C ATOM 858 CD PRO A 49 -2.850 -10.469 0.377 1.00 0.00 C ATOM 0 HA PRO A 49 -3.098 -13.809 0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.554 -12.763 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.677 -12.651 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.670 -10.492 0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.498 -10.357 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.658 -10.125 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.390 -9.672 -0.133 1.00 0.00 H new ATOM 866 N ALA A 50 -2.415 -12.309 2.769 1.00 0.00 N ATOM 867 CA ALA A 50 -1.922 -12.532 4.166 1.00 0.00 C ATOM 868 C ALA A 50 -0.439 -12.164 4.204 1.00 0.00 C ATOM 869 O ALA A 50 0.356 -12.761 4.901 1.00 0.00 O ATOM 870 CB ALA A 50 -2.136 -14.003 4.590 1.00 0.00 C ATOM 0 H ALA A 50 -2.965 -11.460 2.638 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.478 -11.910 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.772 -14.145 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.198 -14.243 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.589 -14.660 3.914 1.00 0.00 H new ATOM 876 N LEU A 51 -0.081 -11.182 3.432 1.00 0.00 N ATOM 877 CA LEU A 51 1.339 -10.731 3.361 1.00 0.00 C ATOM 878 C LEU A 51 1.780 -10.112 4.695 1.00 0.00 C ATOM 879 O LEU A 51 2.665 -9.280 4.736 1.00 0.00 O ATOM 880 CB LEU A 51 1.498 -9.700 2.221 1.00 0.00 C ATOM 881 CG LEU A 51 0.325 -8.689 2.202 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.330 -7.828 3.476 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.464 -7.786 0.969 1.00 0.00 C ATOM 0 H LEU A 51 -0.722 -10.661 2.834 1.00 0.00 H new ATOM 0 HA LEU A 51 1.972 -11.596 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.439 -9.164 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.548 -10.219 1.264 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.616 -9.237 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.502 -7.124 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.227 -8.471 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.269 -7.277 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.358 -7.071 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.411 -7.249 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.438 -8.396 0.066 1.00 0.00 H new ATOM 895 N ARG A 52 1.183 -10.509 5.784 1.00 0.00 N ATOM 896 CA ARG A 52 1.586 -9.939 7.100 1.00 0.00 C ATOM 897 C ARG A 52 3.070 -10.225 7.344 1.00 0.00 C ATOM 898 O ARG A 52 3.638 -9.800 8.330 1.00 0.00 O ATOM 899 CB ARG A 52 0.753 -10.584 8.211 1.00 0.00 C ATOM 900 CG ARG A 52 -0.732 -10.328 7.951 1.00 0.00 C ATOM 901 CD ARG A 52 -1.572 -11.168 8.914 1.00 0.00 C ATOM 902 NE ARG A 52 -1.246 -10.790 10.318 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.742 -11.477 11.311 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.521 -12.497 11.077 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.455 -11.145 12.540 1.00 0.00 N ATOM 0 H ARG A 52 0.435 -11.202 5.820 1.00 0.00 H new ATOM 0 HA ARG A 52 1.418 -8.862 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.947 -11.656 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.039 -10.174 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.958 -9.270 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.980 -10.581 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.633 -11.010 8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.374 -12.228 8.756 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.635 -9.994 10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.744 -12.759 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.907 -13.032 11.854 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.844 -10.349 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.842 -11.681 13.317 1.00 0.00 H new ATOM 919 N THR A 53 3.705 -10.941 6.451 1.00 0.00 N ATOM 920 CA THR A 53 5.156 -11.255 6.631 1.00 0.00 C ATOM 921 C THR A 53 5.789 -11.566 5.271 1.00 0.00 C ATOM 922 O THR A 53 6.188 -12.682 5.003 1.00 0.00 O ATOM 923 CB THR A 53 5.301 -12.470 7.553 1.00 0.00 C ATOM 924 OG1 THR A 53 4.507 -12.277 8.716 1.00 0.00 O ATOM 925 CG2 THR A 53 6.767 -12.637 7.956 1.00 0.00 C ATOM 0 H THR A 53 3.282 -11.322 5.605 1.00 0.00 H new ATOM 0 HA THR A 53 5.661 -10.397 7.075 1.00 0.00 H new ATOM 0 HB THR A 53 4.968 -13.366 7.029 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.435 -11.319 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.868 -13.502 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.375 -12.785 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.104 -11.743 8.480 1.00 0.00 H new ATOM 933 N ASP A 54 5.888 -10.583 4.411 1.00 0.00 N ATOM 934 CA ASP A 54 6.499 -10.807 3.062 1.00 0.00 C ATOM 935 C ASP A 54 7.275 -9.553 2.655 1.00 0.00 C ATOM 936 O ASP A 54 6.793 -8.755 1.883 1.00 0.00 O ATOM 937 CB ASP A 54 5.388 -11.066 2.042 1.00 0.00 C ATOM 938 CG ASP A 54 4.736 -12.419 2.329 1.00 0.00 C ATOM 939 OD1 ASP A 54 4.165 -12.564 3.398 1.00 0.00 O ATOM 940 OD2 ASP A 54 4.818 -13.287 1.476 1.00 0.00 O ATOM 0 H ASP A 54 5.570 -9.629 4.585 1.00 0.00 H new ATOM 0 HA ASP A 54 7.171 -11.665 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.642 -10.273 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.798 -11.055 1.032 1.00 0.00 H new ATOM 945 N PRO A 55 8.465 -9.370 3.177 1.00 0.00 N ATOM 946 CA PRO A 55 9.298 -8.177 2.862 1.00 0.00 C ATOM 947 C PRO A 55 10.076 -8.329 1.549 1.00 0.00 C ATOM 948 O PRO A 55 10.612 -9.375 1.242 1.00 0.00 O ATOM 949 CB PRO A 55 10.245 -8.101 4.064 1.00 0.00 C ATOM 950 CG PRO A 55 10.472 -9.533 4.438 1.00 0.00 C ATOM 951 CD PRO A 55 9.157 -10.271 4.124 1.00 0.00 C ATOM 0 HA PRO A 55 8.700 -7.278 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.179 -7.603 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.802 -7.539 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.301 -9.957 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.727 -9.624 5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.343 -11.250 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.566 -10.436 5.025 1.00 0.00 H new ATOM 959 N TRP A 56 10.136 -7.279 0.783 1.00 0.00 N ATOM 960 CA TRP A 56 10.871 -7.325 -0.518 1.00 0.00 C ATOM 961 C TRP A 56 12.361 -7.600 -0.251 1.00 0.00 C ATOM 962 O TRP A 56 12.727 -8.083 0.802 1.00 0.00 O ATOM 963 CB TRP A 56 10.673 -5.989 -1.286 1.00 0.00 C ATOM 964 CG TRP A 56 10.399 -4.854 -0.342 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.216 -4.617 0.266 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.290 -3.783 0.077 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.323 -3.488 1.050 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.584 -2.927 0.960 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.629 -3.478 -0.215 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.193 -1.804 1.525 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.239 -2.353 0.349 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.524 -1.514 1.215 1.00 0.00 C ATOM 0 H TRP A 56 9.705 -6.381 1.001 1.00 0.00 H new ATOM 0 HA TRP A 56 10.476 -8.129 -1.139 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.564 -5.769 -1.874 1.00 0.00 H new ATOM 0 HB3 TRP A 56 9.845 -6.089 -1.988 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.326 -5.218 0.155 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.567 -3.114 1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.192 -4.117 -0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.639 -1.165 2.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.269 -2.129 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.001 -0.644 1.642 1.00 0.00 H new ATOM 983 N SER A 57 13.221 -7.323 -1.207 1.00 0.00 N ATOM 984 CA SER A 57 14.686 -7.590 -1.028 1.00 0.00 C ATOM 985 C SER A 57 15.493 -6.429 -1.654 1.00 0.00 C ATOM 986 O SER A 57 14.926 -5.502 -2.194 1.00 0.00 O ATOM 987 CB SER A 57 15.007 -8.936 -1.719 1.00 0.00 C ATOM 988 OG SER A 57 13.785 -9.601 -2.013 1.00 0.00 O ATOM 0 H SER A 57 12.968 -6.921 -2.109 1.00 0.00 H new ATOM 0 HA SER A 57 14.955 -7.654 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.574 -8.765 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.627 -9.555 -1.071 1.00 0.00 H new ATOM 0 HG SER A 57 13.975 -10.456 -2.453 1.00 0.00 H new ATOM 994 N PRO A 58 16.808 -6.475 -1.574 1.00 0.00 N ATOM 995 CA PRO A 58 17.697 -5.406 -2.135 1.00 0.00 C ATOM 996 C PRO A 58 17.317 -4.991 -3.566 1.00 0.00 C ATOM 997 O PRO A 58 17.772 -3.983 -4.070 1.00 0.00 O ATOM 998 CB PRO A 58 19.090 -6.050 -2.096 1.00 0.00 C ATOM 999 CG PRO A 58 19.026 -6.966 -0.920 1.00 0.00 C ATOM 1000 CD PRO A 58 17.609 -7.549 -0.942 1.00 0.00 C ATOM 0 HA PRO A 58 17.625 -4.480 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.305 -6.594 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.874 -5.302 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.777 -7.753 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.216 -6.428 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.564 -8.475 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.253 -7.778 0.062 1.00 0.00 H new ATOM 1008 N GLU A 59 16.496 -5.762 -4.220 1.00 0.00 N ATOM 1009 CA GLU A 59 16.094 -5.427 -5.606 1.00 0.00 C ATOM 1010 C GLU A 59 15.138 -4.248 -5.567 1.00 0.00 C ATOM 1011 O GLU A 59 15.300 -3.288 -6.287 1.00 0.00 O ATOM 1012 CB GLU A 59 15.399 -6.632 -6.244 1.00 0.00 C ATOM 1013 CG GLU A 59 16.353 -7.827 -6.252 1.00 0.00 C ATOM 1014 CD GLU A 59 15.595 -9.084 -6.679 1.00 0.00 C ATOM 1015 OE1 GLU A 59 14.454 -9.231 -6.271 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.167 -9.879 -7.406 1.00 0.00 O ATOM 0 H GLU A 59 16.084 -6.617 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 59 16.974 -5.170 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.494 -6.879 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.092 -6.391 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.181 -7.640 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.783 -7.969 -5.261 1.00 0.00 H new ATOM 1023 N GLU A 60 14.146 -4.294 -4.715 1.00 0.00 N ATOM 1024 CA GLU A 60 13.204 -3.151 -4.635 1.00 0.00 C ATOM 1025 C GLU A 60 13.895 -2.029 -3.873 1.00 0.00 C ATOM 1026 O GLU A 60 13.550 -0.880 -4.004 1.00 0.00 O ATOM 1027 CB GLU A 60 11.924 -3.578 -3.918 1.00 0.00 C ATOM 1028 CG GLU A 60 11.419 -4.895 -4.513 1.00 0.00 C ATOM 1029 CD GLU A 60 11.182 -4.724 -6.015 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.827 -3.628 -6.417 1.00 0.00 O ATOM 1031 OE2 GLU A 60 11.359 -5.692 -6.737 1.00 0.00 O ATOM 0 H GLU A 60 13.953 -5.068 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 60 12.930 -2.810 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.115 -3.698 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.162 -2.805 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.147 -5.687 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.494 -5.197 -4.021 1.00 0.00 H new ATOM 1038 N ASP A 61 14.890 -2.353 -3.088 1.00 0.00 N ATOM 1039 CA ASP A 61 15.619 -1.291 -2.342 1.00 0.00 C ATOM 1040 C ASP A 61 16.316 -0.388 -3.361 1.00 0.00 C ATOM 1041 O ASP A 61 16.096 0.806 -3.407 1.00 0.00 O ATOM 1042 CB ASP A 61 16.672 -1.931 -1.421 1.00 0.00 C ATOM 1043 CG ASP A 61 17.139 -0.911 -0.380 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.301 -0.420 0.358 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.328 -0.638 -0.338 1.00 0.00 O ATOM 0 H ASP A 61 15.226 -3.304 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 61 14.923 -0.714 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.251 -2.805 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.521 -2.278 -2.010 1.00 0.00 H new ATOM 1050 N MET A 62 17.147 -0.964 -4.186 1.00 0.00 N ATOM 1051 CA MET A 62 17.853 -0.160 -5.214 1.00 0.00 C ATOM 1052 C MET A 62 16.821 0.429 -6.174 1.00 0.00 C ATOM 1053 O MET A 62 16.954 1.546 -6.634 1.00 0.00 O ATOM 1054 CB MET A 62 18.822 -1.055 -5.989 1.00 0.00 C ATOM 1055 CG MET A 62 19.879 -1.611 -5.033 1.00 0.00 C ATOM 1056 SD MET A 62 20.963 -0.269 -4.482 1.00 0.00 S ATOM 1057 CE MET A 62 22.159 -0.363 -5.836 1.00 0.00 C ATOM 0 H MET A 62 17.366 -1.960 -4.190 1.00 0.00 H new ATOM 0 HA MET A 62 18.414 0.643 -4.735 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.279 -1.873 -6.463 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.301 -0.486 -6.786 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.398 -2.079 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.464 -2.384 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.931 0.393 -5.693 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.617 -1.352 -5.849 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.650 -0.187 -6.784 1.00 0.00 H new ATOM 1067 N LEU A 63 15.783 -0.310 -6.476 1.00 0.00 N ATOM 1068 CA LEU A 63 14.740 0.228 -7.403 1.00 0.00 C ATOM 1069 C LEU A 63 13.904 1.269 -6.641 1.00 0.00 C ATOM 1070 O LEU A 63 13.392 2.213 -7.206 1.00 0.00 O ATOM 1071 CB LEU A 63 13.847 -0.935 -7.898 1.00 0.00 C ATOM 1072 CG LEU A 63 13.334 -0.674 -9.325 1.00 0.00 C ATOM 1073 CD1 LEU A 63 12.379 -1.801 -9.728 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.599 0.675 -9.388 1.00 0.00 C ATOM 0 H LEU A 63 15.613 -1.253 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 63 15.201 0.701 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.413 -1.866 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.001 -1.061 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 63 14.180 -0.643 -10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.011 -1.623 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.907 -2.754 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.538 -1.830 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.241 0.847 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.752 0.660 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.282 1.475 -9.103 1.00 0.00 H new ATOM 1086 N LEU A 64 13.780 1.104 -5.353 1.00 0.00 N ATOM 1087 CA LEU A 64 12.996 2.076 -4.542 1.00 0.00 C ATOM 1088 C LEU A 64 13.717 3.421 -4.566 1.00 0.00 C ATOM 1089 O LEU A 64 13.111 4.456 -4.721 1.00 0.00 O ATOM 1090 CB LEU A 64 12.867 1.546 -3.094 1.00 0.00 C ATOM 1091 CG LEU A 64 12.423 2.669 -2.104 1.00 0.00 C ATOM 1092 CD1 LEU A 64 11.444 2.099 -1.063 1.00 0.00 C ATOM 1093 CD2 LEU A 64 13.642 3.248 -1.359 1.00 0.00 C ATOM 0 H LEU A 64 14.190 0.334 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 64 11.994 2.201 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.143 0.731 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.823 1.134 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 64 11.940 3.456 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.141 2.890 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.565 1.701 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.932 1.301 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.312 4.029 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.134 2.455 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.342 3.670 -2.080 1.00 0.00 H new ATOM 1105 N ASP A 65 15.012 3.419 -4.422 1.00 0.00 N ATOM 1106 CA ASP A 65 15.761 4.707 -4.446 1.00 0.00 C ATOM 1107 C ASP A 65 15.356 5.505 -5.688 1.00 0.00 C ATOM 1108 O ASP A 65 15.295 6.718 -5.668 1.00 0.00 O ATOM 1109 CB ASP A 65 17.261 4.418 -4.492 1.00 0.00 C ATOM 1110 CG ASP A 65 18.040 5.715 -4.262 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.479 6.770 -4.506 1.00 0.00 O ATOM 1112 OD2 ASP A 65 19.184 5.630 -3.848 1.00 0.00 O ATOM 0 H ASP A 65 15.583 2.585 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 65 15.529 5.284 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.524 3.684 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.529 3.987 -5.456 1.00 0.00 H new ATOM 1117 N GLN A 66 15.084 4.827 -6.770 1.00 0.00 N ATOM 1118 CA GLN A 66 14.687 5.537 -8.023 1.00 0.00 C ATOM 1119 C GLN A 66 13.214 5.952 -7.963 1.00 0.00 C ATOM 1120 O GLN A 66 12.858 7.052 -8.337 1.00 0.00 O ATOM 1121 CB GLN A 66 14.903 4.609 -9.220 1.00 0.00 C ATOM 1122 CG GLN A 66 16.398 4.337 -9.394 1.00 0.00 C ATOM 1123 CD GLN A 66 16.613 3.411 -10.591 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.503 2.206 -10.470 1.00 0.00 O ATOM 1125 NE2 GLN A 66 16.919 3.924 -11.752 1.00 0.00 N ATOM 0 H GLN A 66 15.119 3.810 -6.842 1.00 0.00 H new ATOM 0 HA GLN A 66 15.300 6.432 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.368 3.672 -9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.498 5.064 -10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.934 5.274 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.803 3.881 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.011 4.935 -11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.066 3.314 -12.556 1.00 0.00 H new ATOM 1134 N LYS A 67 12.351 5.081 -7.515 1.00 0.00 N ATOM 1135 CA LYS A 67 10.900 5.432 -7.457 1.00 0.00 C ATOM 1136 C LYS A 67 10.644 6.408 -6.305 1.00 0.00 C ATOM 1137 O LYS A 67 10.083 7.470 -6.493 1.00 0.00 O ATOM 1138 CB LYS A 67 10.074 4.155 -7.244 1.00 0.00 C ATOM 1139 CG LYS A 67 10.338 3.143 -8.382 1.00 0.00 C ATOM 1140 CD LYS A 67 9.480 3.481 -9.614 1.00 0.00 C ATOM 1141 CE LYS A 67 9.683 2.418 -10.699 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.994 2.642 -11.372 1.00 0.00 N ATOM 0 H LYS A 67 12.585 4.144 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 67 10.607 5.904 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.329 3.706 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.013 4.403 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.394 3.158 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.111 2.134 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.428 3.530 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.753 4.463 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.654 1.422 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.874 2.468 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.236 1.810 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.931 3.480 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.731 2.793 -10.654 1.00 0.00 H new ATOM 1156 N TYR A 68 11.054 6.064 -5.117 1.00 0.00 N ATOM 1157 CA TYR A 68 10.841 6.977 -3.953 1.00 0.00 C ATOM 1158 C TYR A 68 11.402 8.360 -4.304 1.00 0.00 C ATOM 1159 O TYR A 68 10.774 9.375 -4.087 1.00 0.00 O ATOM 1160 CB TYR A 68 11.560 6.394 -2.720 1.00 0.00 C ATOM 1161 CG TYR A 68 11.761 7.458 -1.659 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.833 8.351 -1.768 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.880 7.553 -0.575 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.026 9.338 -0.797 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.072 8.540 0.398 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.146 9.434 0.287 1.00 0.00 C ATOM 1167 OH TYR A 68 12.334 10.407 1.247 1.00 0.00 O ATOM 0 H TYR A 68 11.529 5.188 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 68 9.779 7.072 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.976 5.570 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.525 5.984 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.513 8.277 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.052 6.865 -0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.854 10.026 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.393 8.613 1.234 1.00 0.00 H new ATOM 0 HH TYR A 68 11.634 10.334 1.928 1.00 0.00 H new ATOM 1177 N ALA A 69 12.580 8.400 -4.853 1.00 0.00 N ATOM 1178 CA ALA A 69 13.190 9.704 -5.231 1.00 0.00 C ATOM 1179 C ALA A 69 12.185 10.506 -6.063 1.00 0.00 C ATOM 1180 O ALA A 69 12.179 11.721 -6.052 1.00 0.00 O ATOM 1181 CB ALA A 69 14.454 9.443 -6.055 1.00 0.00 C ATOM 0 H ALA A 69 13.152 7.581 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 69 13.450 10.269 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.908 10.393 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.162 8.864 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.193 8.885 -6.954 1.00 0.00 H new ATOM 1187 N GLU A 70 11.335 9.825 -6.788 1.00 0.00 N ATOM 1188 CA GLU A 70 10.322 10.516 -7.633 1.00 0.00 C ATOM 1189 C GLU A 70 9.021 10.691 -6.845 1.00 0.00 C ATOM 1190 O GLU A 70 8.520 11.788 -6.690 1.00 0.00 O ATOM 1191 CB GLU A 70 10.054 9.658 -8.873 1.00 0.00 C ATOM 1192 CG GLU A 70 11.253 9.738 -9.823 1.00 0.00 C ATOM 1193 CD GLU A 70 10.967 8.909 -11.076 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.074 8.079 -11.024 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.647 9.117 -12.068 1.00 0.00 O ATOM 0 H GLU A 70 11.302 8.806 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 70 10.694 11.498 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.878 8.623 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.153 10.004 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.445 10.775 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.150 9.368 -9.326 1.00 0.00 H new ATOM 1202 N TYR A 71 8.454 9.612 -6.362 1.00 0.00 N ATOM 1203 CA TYR A 71 7.168 9.707 -5.606 1.00 0.00 C ATOM 1204 C TYR A 71 7.426 9.979 -4.122 1.00 0.00 C ATOM 1205 O TYR A 71 6.740 10.769 -3.506 1.00 0.00 O ATOM 1206 CB TYR A 71 6.393 8.399 -5.770 1.00 0.00 C ATOM 1207 CG TYR A 71 6.413 7.989 -7.226 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.553 8.614 -8.137 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.287 6.987 -7.666 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.567 8.239 -9.486 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.300 6.612 -9.015 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.440 7.237 -9.924 1.00 0.00 C ATOM 1213 OH TYR A 71 6.454 6.868 -11.254 1.00 0.00 O ATOM 0 H TYR A 71 8.828 8.668 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 71 6.584 10.536 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.839 7.618 -5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.365 8.526 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.878 9.386 -7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.951 6.504 -6.965 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.904 8.723 -10.188 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.975 5.840 -9.354 1.00 0.00 H new ATOM 0 HH TYR A 71 7.118 6.160 -11.390 1.00 0.00 H new ATOM 1223 N GLY A 72 8.403 9.335 -3.540 1.00 0.00 N ATOM 1224 CA GLY A 72 8.703 9.559 -2.086 1.00 0.00 C ATOM 1225 C GLY A 72 8.045 8.437 -1.264 1.00 0.00 C ATOM 1226 O GLY A 72 8.042 7.298 -1.688 1.00 0.00 O ATOM 0 H GLY A 72 9.010 8.661 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.780 9.566 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.325 10.531 -1.768 1.00 0.00 H new ATOM 1230 N PRO A 73 7.495 8.722 -0.099 1.00 0.00 N ATOM 1231 CA PRO A 73 6.858 7.666 0.735 1.00 0.00 C ATOM 1232 C PRO A 73 5.450 7.315 0.246 1.00 0.00 C ATOM 1233 O PRO A 73 4.620 6.850 1.003 1.00 0.00 O ATOM 1234 CB PRO A 73 6.827 8.288 2.138 1.00 0.00 C ATOM 1235 CG PRO A 73 6.697 9.763 1.893 1.00 0.00 C ATOM 1236 CD PRO A 73 7.411 10.047 0.556 1.00 0.00 C ATOM 0 HA PRO A 73 7.403 6.723 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.989 7.907 2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.735 8.057 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.649 10.058 1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.150 10.333 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.850 10.757 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.400 10.476 0.716 1.00 0.00 H new ATOM 1244 N LYS A 74 5.174 7.514 -1.017 1.00 0.00 N ATOM 1245 CA LYS A 74 3.824 7.168 -1.541 1.00 0.00 C ATOM 1246 C LYS A 74 3.782 5.669 -1.818 1.00 0.00 C ATOM 1247 O LYS A 74 3.689 5.235 -2.949 1.00 0.00 O ATOM 1248 CB LYS A 74 3.577 7.924 -2.839 1.00 0.00 C ATOM 1249 CG LYS A 74 3.432 9.418 -2.546 1.00 0.00 C ATOM 1250 CD LYS A 74 3.034 10.154 -3.827 1.00 0.00 C ATOM 1251 CE LYS A 74 2.694 11.609 -3.495 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.919 12.308 -3.016 1.00 0.00 N ATOM 0 H LYS A 74 5.823 7.899 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 74 3.059 7.439 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.403 7.758 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.675 7.549 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.679 9.576 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.371 9.817 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.849 10.116 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.176 9.665 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.297 12.111 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.918 11.647 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.008 13.224 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.851 12.464 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.755 11.725 -3.223 1.00 0.00 H new ATOM 1266 N TRP A 75 3.863 4.872 -0.791 1.00 0.00 N ATOM 1267 CA TRP A 75 3.844 3.400 -0.982 1.00 0.00 C ATOM 1268 C TRP A 75 2.624 2.993 -1.813 1.00 0.00 C ATOM 1269 O TRP A 75 2.485 1.856 -2.219 1.00 0.00 O ATOM 1270 CB TRP A 75 3.803 2.717 0.390 1.00 0.00 C ATOM 1271 CG TRP A 75 4.663 3.469 1.361 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.222 3.989 2.527 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.086 3.801 1.280 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.282 4.591 3.180 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.448 4.510 2.451 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.092 3.557 0.323 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.753 4.956 2.667 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.405 4.008 0.538 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.734 4.704 1.707 1.00 0.00 C ATOM 0 H TRP A 75 3.942 5.181 0.178 1.00 0.00 H new ATOM 0 HA TRP A 75 4.743 3.089 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.777 2.677 0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.151 1.688 0.304 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.206 3.942 2.890 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.209 5.041 4.092 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.851 3.019 -0.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.002 5.492 3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.166 3.816 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.746 5.046 1.866 1.00 0.00 H new ATOM 1290 N ASN A 76 1.747 3.916 -2.078 1.00 0.00 N ATOM 1291 CA ASN A 76 0.545 3.591 -2.891 1.00 0.00 C ATOM 1292 C ASN A 76 0.983 3.367 -4.336 1.00 0.00 C ATOM 1293 O ASN A 76 0.461 2.521 -5.031 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.448 4.755 -2.829 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.705 4.396 -3.622 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.006 3.234 -3.812 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.459 5.351 -4.095 1.00 0.00 N ATOM 0 H ASN A 76 1.810 4.885 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 76 0.063 2.694 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.708 4.970 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.007 5.657 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.301 5.122 -4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.207 6.326 -3.936 1.00 0.00 H new ATOM 1304 N LYS A 77 1.953 4.118 -4.786 1.00 0.00 N ATOM 1305 CA LYS A 77 2.452 3.953 -6.181 1.00 0.00 C ATOM 1306 C LYS A 77 3.496 2.841 -6.200 1.00 0.00 C ATOM 1307 O LYS A 77 3.594 2.079 -7.141 1.00 0.00 O ATOM 1308 CB LYS A 77 3.099 5.260 -6.641 1.00 0.00 C ATOM 1309 CG LYS A 77 2.016 6.319 -6.859 1.00 0.00 C ATOM 1310 CD LYS A 77 2.655 7.600 -7.397 1.00 0.00 C ATOM 1311 CE LYS A 77 1.561 8.616 -7.730 1.00 0.00 C ATOM 1312 NZ LYS A 77 2.160 9.770 -8.457 1.00 0.00 N ATOM 0 H LYS A 77 2.423 4.843 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 77 1.626 3.700 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.815 5.605 -5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.654 5.097 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.268 5.950 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.499 6.524 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.339 8.016 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.244 7.379 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.789 8.148 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.078 8.960 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.417 10.461 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.881 10.221 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.601 9.435 -9.337 1.00 0.00 H new ATOM 1326 N ILE A 78 4.278 2.749 -5.163 1.00 0.00 N ATOM 1327 CA ILE A 78 5.324 1.694 -5.107 1.00 0.00 C ATOM 1328 C ILE A 78 4.656 0.323 -4.979 1.00 0.00 C ATOM 1329 O ILE A 78 4.905 -0.574 -5.751 1.00 0.00 O ATOM 1330 CB ILE A 78 6.223 1.950 -3.888 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.539 3.450 -3.778 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.526 1.158 -4.023 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.067 3.988 -5.112 1.00 0.00 C ATOM 0 H ILE A 78 4.237 3.362 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 78 5.925 1.715 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 78 5.699 1.626 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.641 3.996 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.279 3.615 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.157 1.345 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.300 0.093 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.050 1.470 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.285 5.051 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.977 3.454 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.315 3.841 -5.887 1.00 0.00 H new ATOM 1345 N SER A 79 3.808 0.159 -4.004 1.00 0.00 N ATOM 1346 CA SER A 79 3.119 -1.153 -3.817 1.00 0.00 C ATOM 1347 C SER A 79 2.514 -1.643 -5.137 1.00 0.00 C ATOM 1348 O SER A 79 2.307 -2.825 -5.327 1.00 0.00 O ATOM 1349 CB SER A 79 2.013 -1.005 -2.774 1.00 0.00 C ATOM 1350 OG SER A 79 1.540 -2.294 -2.404 1.00 0.00 O ATOM 0 H SER A 79 3.560 0.878 -3.325 1.00 0.00 H new ATOM 0 HA SER A 79 3.853 -1.884 -3.478 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.392 -0.479 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.196 -0.407 -3.176 1.00 0.00 H new ATOM 0 HG SER A 79 1.377 -2.318 -1.438 1.00 0.00 H new ATOM 1356 N LYS A 80 2.222 -0.757 -6.049 1.00 0.00 N ATOM 1357 CA LYS A 80 1.625 -1.198 -7.346 1.00 0.00 C ATOM 1358 C LYS A 80 2.730 -1.780 -8.222 1.00 0.00 C ATOM 1359 O LYS A 80 2.474 -2.524 -9.149 1.00 0.00 O ATOM 1360 CB LYS A 80 0.967 0.000 -8.055 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.402 0.310 -7.417 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.199 1.288 -8.298 1.00 0.00 C ATOM 1363 CE LYS A 80 -0.638 2.706 -8.165 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.527 3.659 -8.890 1.00 0.00 N ATOM 0 H LYS A 80 2.369 0.248 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 80 0.862 -1.955 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.615 0.874 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.841 -0.220 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.966 -0.613 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.259 0.739 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.154 0.969 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.249 1.277 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.568 2.984 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.371 2.750 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.148 4.623 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.572 3.396 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.482 3.623 -8.480 1.00 0.00 H new ATOM 1378 N PHE A 81 3.961 -1.458 -7.932 1.00 0.00 N ATOM 1379 CA PHE A 81 5.086 -2.004 -8.739 1.00 0.00 C ATOM 1380 C PHE A 81 5.462 -3.365 -8.151 1.00 0.00 C ATOM 1381 O PHE A 81 6.155 -4.156 -8.759 1.00 0.00 O ATOM 1382 CB PHE A 81 6.281 -1.033 -8.657 1.00 0.00 C ATOM 1383 CG PHE A 81 6.157 0.039 -9.727 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.415 -0.283 -11.065 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.787 1.347 -9.383 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.303 0.699 -12.057 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.675 2.329 -10.375 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.933 2.004 -11.712 1.00 0.00 C ATOM 0 H PHE A 81 4.235 -0.839 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 81 4.803 -2.118 -9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.317 -0.571 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.214 -1.581 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.701 -1.290 -11.332 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.588 1.597 -8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.502 0.449 -13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.390 3.336 -10.109 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.846 2.761 -12.478 1.00 0.00 H new ATOM 1398 N LEU A 82 4.995 -3.629 -6.961 1.00 0.00 N ATOM 1399 CA LEU A 82 5.292 -4.924 -6.279 1.00 0.00 C ATOM 1400 C LEU A 82 4.096 -5.863 -6.472 1.00 0.00 C ATOM 1401 O LEU A 82 4.186 -6.860 -7.158 1.00 0.00 O ATOM 1402 CB LEU A 82 5.498 -4.644 -4.781 1.00 0.00 C ATOM 1403 CG LEU A 82 6.907 -4.059 -4.504 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.304 -3.009 -5.551 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.916 -3.389 -3.127 1.00 0.00 C ATOM 0 H LEU A 82 4.409 -2.991 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 82 6.188 -5.387 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.737 -3.946 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.368 -5.567 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 82 7.620 -4.883 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.297 -2.624 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.312 -3.467 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.585 -2.190 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.905 -2.977 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.178 -2.587 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.671 -4.126 -2.362 1.00 0.00 H new ATOM 1417 N LYS A 83 2.982 -5.545 -5.861 1.00 0.00 N ATOM 1418 CA LYS A 83 1.764 -6.398 -5.984 1.00 0.00 C ATOM 1419 C LYS A 83 1.940 -7.616 -5.082 1.00 0.00 C ATOM 1420 O LYS A 83 1.055 -8.438 -4.951 1.00 0.00 O ATOM 1421 CB LYS A 83 1.560 -6.831 -7.460 1.00 0.00 C ATOM 1422 CG LYS A 83 0.054 -6.992 -7.785 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.582 -5.632 -8.149 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.019 -5.089 -9.482 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.085 -4.315 -10.180 1.00 0.00 N ATOM 0 H LYS A 83 2.865 -4.719 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 83 0.880 -5.839 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.003 -6.090 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.078 -7.772 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.070 -7.689 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.463 -7.421 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.664 -5.743 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.392 -4.914 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.846 -4.453 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.321 -5.912 -10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.714 -3.946 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.897 -4.936 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.388 -3.522 -9.579 1.00 0.00 H new ATOM 1439 N ASN A 84 3.087 -7.725 -4.456 1.00 0.00 N ATOM 1440 CA ASN A 84 3.363 -8.876 -3.546 1.00 0.00 C ATOM 1441 C ASN A 84 3.374 -8.384 -2.096 1.00 0.00 C ATOM 1442 O ASN A 84 3.143 -9.143 -1.177 1.00 0.00 O ATOM 1443 CB ASN A 84 4.727 -9.483 -3.894 1.00 0.00 C ATOM 1444 CG ASN A 84 4.627 -10.244 -5.219 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.974 -11.406 -5.293 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.163 -9.633 -6.274 1.00 0.00 N ATOM 0 H ASN A 84 3.852 -7.056 -4.540 1.00 0.00 H new ATOM 0 HA ASN A 84 2.588 -9.633 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.478 -8.696 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.050 -10.156 -3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.091 -10.131 -7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.872 -8.657 -6.212 1.00 0.00 H new ATOM 1453 N ARG A 85 3.644 -7.113 -1.887 1.00 0.00 N ATOM 1454 CA ARG A 85 3.674 -6.547 -0.496 1.00 0.00 C ATOM 1455 C ARG A 85 2.622 -5.458 -0.364 1.00 0.00 C ATOM 1456 O ARG A 85 1.973 -5.080 -1.318 1.00 0.00 O ATOM 1457 CB ARG A 85 5.059 -5.965 -0.217 1.00 0.00 C ATOM 1458 CG ARG A 85 6.135 -7.084 -0.296 1.00 0.00 C ATOM 1459 CD ARG A 85 6.779 -7.113 -1.690 1.00 0.00 C ATOM 1460 NE ARG A 85 7.481 -8.414 -1.886 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.088 -8.665 -3.013 1.00 0.00 C ATOM 1462 NH1 ARG A 85 8.081 -7.778 -3.971 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.702 -9.804 -3.183 1.00 0.00 N ATOM 0 H ARG A 85 3.846 -6.440 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 85 3.461 -7.337 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.285 -5.181 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.076 -5.503 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.900 -6.915 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.680 -8.050 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.017 -6.980 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.484 -6.288 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 85 7.487 -9.108 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.601 -6.888 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.556 -7.975 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.707 -10.497 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.177 -10.001 -4.064 1.00 0.00 H new ATOM 1477 N SER A 86 2.443 -4.967 0.836 1.00 0.00 N ATOM 1478 CA SER A 86 1.430 -3.916 1.107 1.00 0.00 C ATOM 1479 C SER A 86 2.148 -2.666 1.580 1.00 0.00 C ATOM 1480 O SER A 86 3.281 -2.707 2.008 1.00 0.00 O ATOM 1481 CB SER A 86 0.488 -4.407 2.208 1.00 0.00 C ATOM 1482 OG SER A 86 1.250 -5.054 3.220 1.00 0.00 O ATOM 0 H SER A 86 2.973 -5.262 1.656 1.00 0.00 H new ATOM 0 HA SER A 86 0.857 -3.698 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.064 -3.568 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.248 -5.096 1.793 1.00 0.00 H new ATOM 0 HG SER A 86 0.732 -5.084 4.051 1.00 0.00 H new ATOM 1488 N ASP A 87 1.488 -1.562 1.517 1.00 0.00 N ATOM 1489 CA ASP A 87 2.117 -0.302 1.967 1.00 0.00 C ATOM 1490 C ASP A 87 2.526 -0.456 3.428 1.00 0.00 C ATOM 1491 O ASP A 87 3.565 0.011 3.852 1.00 0.00 O ATOM 1492 CB ASP A 87 1.115 0.847 1.817 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.255 0.396 2.327 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.822 -0.502 1.724 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.713 0.954 3.309 1.00 0.00 O ATOM 0 H ASP A 87 0.533 -1.473 1.171 1.00 0.00 H new ATOM 0 HA ASP A 87 2.998 -0.081 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.456 1.717 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.045 1.149 0.772 1.00 0.00 H new ATOM 1500 N ASN A 88 1.717 -1.121 4.195 1.00 0.00 N ATOM 1501 CA ASN A 88 2.049 -1.328 5.626 1.00 0.00 C ATOM 1502 C ASN A 88 3.363 -2.105 5.723 1.00 0.00 C ATOM 1503 O ASN A 88 4.105 -1.964 6.671 1.00 0.00 O ATOM 1504 CB ASN A 88 0.931 -2.125 6.302 1.00 0.00 C ATOM 1505 CG ASN A 88 1.188 -2.185 7.810 1.00 0.00 C ATOM 1506 OD1 ASN A 88 0.406 -1.684 8.592 1.00 0.00 O ATOM 1507 ND2 ASN A 88 2.260 -2.784 8.252 1.00 0.00 N ATOM 0 H ASN A 88 0.835 -1.533 3.891 1.00 0.00 H new ATOM 0 HA ASN A 88 2.152 -0.364 6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.034 -1.658 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.887 -3.133 5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.441 -2.831 9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.917 -3.205 7.595 1.00 0.00 H new ATOM 1514 N ASN A 89 3.662 -2.922 4.743 1.00 0.00 N ATOM 1515 CA ASN A 89 4.930 -3.699 4.778 1.00 0.00 C ATOM 1516 C ASN A 89 6.062 -2.825 4.247 1.00 0.00 C ATOM 1517 O ASN A 89 7.166 -2.837 4.749 1.00 0.00 O ATOM 1518 CB ASN A 89 4.778 -4.920 3.880 1.00 0.00 C ATOM 1519 CG ASN A 89 5.982 -5.843 4.066 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.804 -5.623 4.932 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.120 -6.877 3.283 1.00 0.00 N ATOM 0 H ASN A 89 3.079 -3.081 3.921 1.00 0.00 H new ATOM 0 HA ASN A 89 5.153 -4.011 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.858 -5.451 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.701 -4.611 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.919 -7.501 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.429 -7.062 2.556 1.00 0.00 H new ATOM 1528 N ILE A 90 5.785 -2.075 3.220 1.00 0.00 N ATOM 1529 CA ILE A 90 6.823 -1.196 2.622 1.00 0.00 C ATOM 1530 C ILE A 90 7.193 -0.103 3.621 1.00 0.00 C ATOM 1531 O ILE A 90 8.348 0.098 3.941 1.00 0.00 O ATOM 1532 CB ILE A 90 6.259 -0.586 1.335 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.912 -1.724 0.370 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.301 0.326 0.687 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.138 -1.192 -0.837 1.00 0.00 C ATOM 0 H ILE A 90 4.873 -2.034 2.765 1.00 0.00 H new ATOM 0 HA ILE A 90 7.722 -1.766 2.386 1.00 0.00 H new ATOM 0 HB ILE A 90 5.370 0.002 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.826 -2.215 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.317 -2.477 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.891 0.755 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.563 1.127 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.193 -0.253 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.902 -2.016 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.214 -0.723 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.746 -0.457 -1.364 1.00 0.00 H new ATOM 1547 N ARG A 91 6.219 0.588 4.133 1.00 0.00 N ATOM 1548 CA ARG A 91 6.505 1.651 5.133 1.00 0.00 C ATOM 1549 C ARG A 91 7.195 1.007 6.331 1.00 0.00 C ATOM 1550 O ARG A 91 8.015 1.606 6.998 1.00 0.00 O ATOM 1551 CB ARG A 91 5.179 2.275 5.580 1.00 0.00 C ATOM 1552 CG ARG A 91 5.395 3.254 6.749 1.00 0.00 C ATOM 1553 CD ARG A 91 6.477 4.287 6.398 1.00 0.00 C ATOM 1554 NE ARG A 91 6.325 5.478 7.281 1.00 0.00 N ATOM 1555 CZ ARG A 91 7.184 6.459 7.210 1.00 0.00 C ATOM 1556 NH1 ARG A 91 8.178 6.396 6.365 1.00 0.00 N ATOM 1557 NH2 ARG A 91 7.051 7.501 7.984 1.00 0.00 N ATOM 0 H ARG A 91 5.233 0.463 3.902 1.00 0.00 H new ATOM 0 HA ARG A 91 7.145 2.423 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.719 2.799 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.487 1.489 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.460 3.764 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.688 2.703 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.468 3.850 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.389 4.582 5.352 1.00 0.00 H new ATOM 0 HE ARG A 91 5.549 5.527 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.283 5.581 5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.849 7.162 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.276 7.550 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.722 8.267 7.928 1.00 0.00 H new ATOM 1571 N ASN A 92 6.851 -0.215 6.611 1.00 0.00 N ATOM 1572 CA ASN A 92 7.458 -0.920 7.776 1.00 0.00 C ATOM 1573 C ASN A 92 8.865 -1.399 7.425 1.00 0.00 C ATOM 1574 O ASN A 92 9.771 -1.308 8.230 1.00 0.00 O ATOM 1575 CB ASN A 92 6.591 -2.124 8.151 1.00 0.00 C ATOM 1576 CG ASN A 92 7.245 -2.903 9.296 1.00 0.00 C ATOM 1577 OD1 ASN A 92 8.316 -2.555 9.750 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.640 -3.951 9.784 1.00 0.00 N ATOM 0 H ASN A 92 6.172 -0.762 6.082 1.00 0.00 H new ATOM 0 HA ASN A 92 7.516 -0.230 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.598 -1.789 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.462 -2.774 7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.067 -4.477 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.740 -4.244 9.403 1.00 0.00 H new ATOM 1585 N ARG A 93 9.070 -1.922 6.244 1.00 0.00 N ATOM 1586 CA ARG A 93 10.437 -2.407 5.895 1.00 0.00 C ATOM 1587 C ARG A 93 11.335 -1.215 5.541 1.00 0.00 C ATOM 1588 O ARG A 93 12.544 -1.289 5.639 1.00 0.00 O ATOM 1589 CB ARG A 93 10.368 -3.397 4.715 1.00 0.00 C ATOM 1590 CG ARG A 93 11.606 -4.320 4.742 1.00 0.00 C ATOM 1591 CD ARG A 93 11.852 -4.930 3.364 1.00 0.00 C ATOM 1592 NE ARG A 93 12.932 -5.957 3.479 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.686 -6.251 2.453 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.478 -5.678 1.300 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.643 -7.129 2.582 1.00 0.00 N ATOM 0 H ARG A 93 8.363 -2.033 5.517 1.00 0.00 H new ATOM 0 HA ARG A 93 10.861 -2.926 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.457 -3.992 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.328 -2.852 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.482 -3.753 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.459 -5.113 5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.937 -5.385 2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.142 -4.155 2.654 1.00 0.00 H new ATOM 0 HE ARG A 93 13.082 -6.434 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.725 -4.998 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.069 -5.910 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.800 -7.583 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.233 -7.361 1.783 1.00 0.00 H new ATOM 1609 N TRP A 94 10.756 -0.118 5.135 1.00 0.00 N ATOM 1610 CA TRP A 94 11.577 1.077 4.783 1.00 0.00 C ATOM 1611 C TRP A 94 12.035 1.767 6.071 1.00 0.00 C ATOM 1612 O TRP A 94 13.194 2.089 6.234 1.00 0.00 O ATOM 1613 CB TRP A 94 10.730 2.042 3.939 1.00 0.00 C ATOM 1614 CG TRP A 94 11.467 3.334 3.736 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.061 4.539 4.201 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.723 3.572 3.032 1.00 0.00 C ATOM 1617 NE1 TRP A 94 11.984 5.498 3.829 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.026 4.953 3.107 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.619 2.734 2.343 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 14.176 5.482 2.521 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.777 3.265 1.752 1.00 0.00 C ATOM 1622 CH2 TRP A 94 15.055 4.636 1.841 1.00 0.00 C ATOM 0 H TRP A 94 9.749 0.003 5.032 1.00 0.00 H new ATOM 0 HA TRP A 94 12.452 0.774 4.208 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.502 1.589 2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.778 2.232 4.435 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.162 4.721 4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.905 6.488 4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.415 1.676 2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.385 6.539 2.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.458 2.613 1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.948 5.038 1.384 1.00 0.00 H new ATOM 1633 N MET A 95 11.136 1.997 6.988 1.00 0.00 N ATOM 1634 CA MET A 95 11.532 2.665 8.259 1.00 0.00 C ATOM 1635 C MET A 95 12.408 1.712 9.076 1.00 0.00 C ATOM 1636 O MET A 95 13.166 2.126 9.928 1.00 0.00 O ATOM 1637 CB MET A 95 10.273 3.044 9.057 1.00 0.00 C ATOM 1638 CG MET A 95 9.560 1.785 9.585 1.00 0.00 C ATOM 1639 SD MET A 95 10.313 1.274 11.153 1.00 0.00 S ATOM 1640 CE MET A 95 9.237 -0.144 11.478 1.00 0.00 C ATOM 0 H MET A 95 10.149 1.752 6.913 1.00 0.00 H new ATOM 0 HA MET A 95 12.095 3.572 8.040 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.547 3.689 9.892 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.593 3.614 8.423 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.499 1.989 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.634 0.979 8.855 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.936 -0.140 12.526 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.351 -0.081 10.846 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.775 -1.066 11.259 1.00 0.00 H new ATOM 1650 N MET A 96 12.317 0.435 8.812 1.00 0.00 N ATOM 1651 CA MET A 96 13.149 -0.549 9.559 1.00 0.00 C ATOM 1652 C MET A 96 14.548 -0.568 8.953 1.00 0.00 C ATOM 1653 O MET A 96 15.540 -0.623 9.651 1.00 0.00 O ATOM 1654 CB MET A 96 12.523 -1.940 9.444 1.00 0.00 C ATOM 1655 CG MET A 96 13.337 -2.937 10.269 1.00 0.00 C ATOM 1656 SD MET A 96 12.447 -4.510 10.364 1.00 0.00 S ATOM 1657 CE MET A 96 13.888 -5.570 10.640 1.00 0.00 C ATOM 0 H MET A 96 11.699 0.031 8.108 1.00 0.00 H new ATOM 0 HA MET A 96 13.203 -0.267 10.611 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.492 -1.916 9.797 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.496 -2.253 8.400 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.316 -3.088 9.814 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.508 -2.543 11.271 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.565 -6.607 10.730 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.575 -5.476 9.799 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.393 -5.266 11.557 1.00 0.00 H new ATOM 1667 N ILE A 97 14.632 -0.518 7.648 1.00 0.00 N ATOM 1668 CA ILE A 97 15.962 -0.531 6.980 1.00 0.00 C ATOM 1669 C ILE A 97 16.517 0.893 6.940 1.00 0.00 C ATOM 1670 O ILE A 97 17.713 1.103 6.950 1.00 0.00 O ATOM 1671 CB ILE A 97 15.818 -1.065 5.551 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.317 -2.512 5.597 1.00 0.00 C ATOM 1673 CG2 ILE A 97 17.179 -1.017 4.845 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.914 -2.962 4.190 1.00 0.00 C ATOM 0 H ILE A 97 13.832 -0.469 7.017 1.00 0.00 H new ATOM 0 HA ILE A 97 16.643 -1.176 7.536 1.00 0.00 H new ATOM 0 HB ILE A 97 15.105 -0.449 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.097 -3.165 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.465 -2.591 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 97 17.075 -1.397 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.536 0.012 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.894 -1.632 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.558 -3.992 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.120 -2.316 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.777 -2.899 3.527 1.00 0.00 H new ATOM 1686 N ALA A 98 15.657 1.873 6.895 1.00 0.00 N ATOM 1687 CA ALA A 98 16.137 3.280 6.856 1.00 0.00 C ATOM 1688 C ALA A 98 16.620 3.672 8.248 1.00 0.00 C ATOM 1689 O ALA A 98 17.534 4.458 8.403 1.00 0.00 O ATOM 1690 CB ALA A 98 14.994 4.203 6.430 1.00 0.00 C ATOM 0 H ALA A 98 14.643 1.759 6.884 1.00 0.00 H new ATOM 0 HA ALA A 98 16.953 3.373 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.349 5.233 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.643 3.914 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.175 4.121 7.144 1.00 0.00 H new ATOM 1696 N ARG A 99 16.019 3.118 9.265 1.00 0.00 N ATOM 1697 CA ARG A 99 16.447 3.440 10.648 1.00 0.00 C ATOM 1698 C ARG A 99 17.764 2.721 10.912 1.00 0.00 C ATOM 1699 O ARG A 99 18.526 3.080 11.787 1.00 0.00 O ATOM 1700 CB ARG A 99 15.379 2.964 11.647 1.00 0.00 C ATOM 1701 CG ARG A 99 14.156 3.911 11.625 1.00 0.00 C ATOM 1702 CD ARG A 99 14.387 5.119 12.548 1.00 0.00 C ATOM 1703 NE ARG A 99 13.143 5.937 12.609 1.00 0.00 N ATOM 1704 CZ ARG A 99 13.165 7.118 13.164 1.00 0.00 C ATOM 1705 NH1 ARG A 99 14.275 7.584 13.666 1.00 0.00 N ATOM 1706 NH2 ARG A 99 12.075 7.833 13.218 1.00 0.00 N ATOM 0 H ARG A 99 15.248 2.454 9.193 1.00 0.00 H new ATOM 0 HA ARG A 99 16.575 4.516 10.766 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.066 1.950 11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.802 2.929 12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.974 4.255 10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.265 3.370 11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.663 4.781 13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.215 5.722 12.176 1.00 0.00 H new ATOM 0 HE ARG A 99 12.274 5.574 12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.127 7.025 13.625 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.291 8.507 14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.206 7.469 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.092 8.756 13.652 1.00 0.00 H new