USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 35 GLN : amide:sc= 0.656 K(o=0.69,f=-0.02) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -177:sc= 0.038 (180deg=0.0354) USER MOD Set 2.1: A 22 TYR OH : rot -30:sc= 0 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.827 K(o=-0.83,f=-1.8) USER MOD Set 3.1: A 14 ASN : amide:sc= -3.06! C(o=-3.1!,f=-16!) USER MOD Set 3.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.613 K(o=-0.61,f=-3.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -3.4! (180deg=-7.47!) USER MOD Single : A 36 GLN : amide:sc= 0.329 X(o=0.33,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0347 K(o=-0.035,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0503 K(o=-0.05,f=-1.8!) USER MOD Single : A 48 GLN : amide:sc= -2.08 K(o=-2.1,f=-5.2!) USER MOD Single : A 49 GLN : amide:sc= -0.976 K(o=-0.98,f=-4.1!) USER MOD Single : A 53 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.3) USER MOD Single : A 66 TYR OH : rot -39:sc= -0.178 USER MOD Single : A 69 GLN : amide:sc= -0.263 K(o=-0.26,f=-3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= 0.665 (180deg=0.314) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.493 -3.693 -4.683 1.00 0.00 N ATOM 60 CA GLY A 7 -7.601 -3.114 -3.695 1.00 0.00 C ATOM 61 C GLY A 7 -8.320 -2.180 -2.741 1.00 0.00 C ATOM 62 O GLY A 7 -9.548 -2.099 -2.750 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.125 -3.913 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.806 -2.568 -4.203 1.00 0.00 H new ATOM 66 N ILE A 8 -7.553 -1.476 -1.915 1.00 0.00 N ATOM 67 CA ILE A 8 -8.125 -0.545 -0.951 1.00 0.00 C ATOM 68 C ILE A 8 -7.660 0.882 -1.222 1.00 0.00 C ATOM 69 O ILE A 8 -6.605 1.098 -1.819 1.00 0.00 O ATOM 70 CB ILE A 8 -7.751 -0.929 0.493 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.245 -0.770 0.712 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.188 -2.355 0.792 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.851 -0.693 2.170 1.00 0.00 C ATOM 0 H ILE A 8 -6.535 -1.533 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.208 -0.600 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.271 -0.260 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.728 -1.610 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.906 0.133 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.917 -2.612 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.268 -2.437 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.693 -3.039 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.770 -0.581 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.340 0.164 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.159 -1.606 2.679 1.00 0.00 H new ATOM 85 N GLN A 9 -8.453 1.852 -0.779 1.00 0.00 N ATOM 86 CA GLN A 9 -8.122 3.258 -0.973 1.00 0.00 C ATOM 87 C GLN A 9 -7.740 3.915 0.349 1.00 0.00 C ATOM 88 O GLN A 9 -8.497 3.867 1.319 1.00 0.00 O ATOM 89 CB GLN A 9 -9.302 4.000 -1.603 1.00 0.00 C ATOM 90 CG GLN A 9 -8.969 5.419 -2.034 1.00 0.00 C ATOM 91 CD GLN A 9 -10.174 6.163 -2.576 1.00 0.00 C ATOM 92 OE1 GLN A 9 -10.621 7.151 -1.994 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.706 5.690 -3.697 1.00 0.00 N ATOM 0 H GLN A 9 -9.329 1.690 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.266 3.314 -1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.652 3.439 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.125 4.030 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.561 5.966 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.191 5.390 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.302 4.868 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.518 6.149 -4.109 1.00 0.00 H new ATOM 102 N VAL A 10 -6.562 4.530 0.381 1.00 0.00 N ATOM 103 CA VAL A 10 -6.080 5.197 1.584 1.00 0.00 C ATOM 104 C VAL A 10 -5.959 6.702 1.367 1.00 0.00 C ATOM 105 O VAL A 10 -5.828 7.168 0.235 1.00 0.00 O ATOM 106 CB VAL A 10 -4.713 4.642 2.026 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.838 3.184 2.440 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.689 4.803 0.913 1.00 0.00 C ATOM 0 H VAL A 10 -5.924 4.580 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.812 5.003 2.368 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.370 5.212 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.862 2.809 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.539 3.100 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.202 2.596 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.729 4.406 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.023 4.259 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.580 5.860 0.669 1.00 0.00 H new ATOM 118 N PHE A 11 -6.003 7.457 2.459 1.00 0.00 N ATOM 119 CA PHE A 11 -5.898 8.910 2.389 1.00 0.00 C ATOM 120 C PHE A 11 -4.627 9.398 3.078 1.00 0.00 C ATOM 121 O PHE A 11 -4.540 9.412 4.306 1.00 0.00 O ATOM 122 CB PHE A 11 -7.123 9.562 3.032 1.00 0.00 C ATOM 123 CG PHE A 11 -8.378 9.411 2.221 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.555 10.133 1.052 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.382 8.547 2.629 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.708 9.996 0.303 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.538 8.405 1.884 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.702 9.131 0.720 1.00 0.00 C ATOM 0 H PHE A 11 -6.111 7.087 3.403 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.852 9.196 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.282 9.124 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.923 10.623 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.782 10.811 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.260 7.978 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.832 10.564 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.312 7.727 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.605 9.023 0.137 1.00 0.00 H new ATOM 138 N VAL A 12 -3.643 9.797 2.278 1.00 0.00 N ATOM 139 CA VAL A 12 -2.377 10.286 2.810 1.00 0.00 C ATOM 140 C VAL A 12 -2.451 11.776 3.122 1.00 0.00 C ATOM 141 O VAL A 12 -2.463 12.612 2.217 1.00 0.00 O ATOM 142 CB VAL A 12 -1.220 10.036 1.824 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.022 10.803 2.251 1.00 0.00 C ATOM 144 CG2 VAL A 12 -0.926 8.547 1.715 1.00 0.00 C ATOM 0 H VAL A 12 -3.699 9.791 1.260 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.186 9.734 3.730 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.520 10.397 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.828 10.614 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.199 11.870 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.328 10.476 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.106 8.388 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.647 8.159 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.814 8.026 1.358 1.00 0.00 H new ATOM 154 N LYS A 13 -2.500 12.104 4.408 1.00 0.00 N ATOM 155 CA LYS A 13 -2.571 13.495 4.842 1.00 0.00 C ATOM 156 C LYS A 13 -1.191 14.144 4.815 1.00 0.00 C ATOM 157 O LYS A 13 -0.274 13.704 5.509 1.00 0.00 O ATOM 158 CB LYS A 13 -3.160 13.581 6.252 1.00 0.00 C ATOM 159 CG LYS A 13 -3.227 14.997 6.797 1.00 0.00 C ATOM 160 CD LYS A 13 -3.800 15.026 8.204 1.00 0.00 C ATOM 161 CE LYS A 13 -4.467 16.359 8.506 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.368 16.273 9.689 1.00 0.00 N ATOM 0 H LYS A 13 -2.492 11.425 5.169 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.220 14.033 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.164 13.156 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.560 12.969 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.228 15.434 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.842 15.612 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.525 14.221 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.004 14.844 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.703 17.115 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.039 16.684 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.803 17.202 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.113 15.570 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.818 15.987 10.524 1.00 0.00 H new ATOM 176 N ASN A 14 -1.051 15.193 4.012 1.00 0.00 N ATOM 177 CA ASN A 14 0.218 15.904 3.896 1.00 0.00 C ATOM 178 C ASN A 14 0.384 16.908 5.032 1.00 0.00 C ATOM 179 O ASN A 14 -0.587 17.394 5.611 1.00 0.00 O ATOM 180 CB ASN A 14 0.302 16.623 2.548 1.00 0.00 C ATOM 181 CG ASN A 14 -0.906 17.500 2.284 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.781 17.643 3.138 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.959 18.092 1.096 1.00 0.00 N ATOM 0 H ASN A 14 -1.800 15.570 3.432 1.00 0.00 H new ATOM 0 HA ASN A 14 1.024 15.173 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.204 17.234 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.393 15.885 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.748 18.694 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.211 17.945 0.419 1.00 0.00 H new ATOM 190 N PRO A 15 1.645 17.228 5.360 1.00 0.00 N ATOM 191 CA PRO A 15 1.969 18.178 6.428 1.00 0.00 C ATOM 192 C PRO A 15 1.597 19.611 6.062 1.00 0.00 C ATOM 193 O PRO A 15 1.097 20.365 6.896 1.00 0.00 O ATOM 194 CB PRO A 15 3.486 18.040 6.577 1.00 0.00 C ATOM 195 CG PRO A 15 3.955 17.556 5.248 1.00 0.00 C ATOM 196 CD PRO A 15 2.851 16.686 4.712 1.00 0.00 C ATOM 0 HA PRO A 15 1.416 17.967 7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.947 18.993 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.744 17.336 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.155 18.391 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.884 16.994 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.784 16.745 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.007 15.637 4.965 1.00 0.00 H new ATOM 204 N ASP A 16 1.844 19.979 4.810 1.00 0.00 N ATOM 205 CA ASP A 16 1.534 21.322 4.333 1.00 0.00 C ATOM 206 C ASP A 16 0.055 21.641 4.531 1.00 0.00 C ATOM 207 O ASP A 16 -0.302 22.742 4.947 1.00 0.00 O ATOM 208 CB ASP A 16 1.904 21.460 2.855 1.00 0.00 C ATOM 209 CG ASP A 16 2.025 22.907 2.421 1.00 0.00 C ATOM 210 OD1 ASP A 16 2.280 23.768 3.289 1.00 0.00 O ATOM 211 OD2 ASP A 16 1.866 23.179 1.213 1.00 0.00 O ATOM 0 H ASP A 16 2.258 19.367 4.107 1.00 0.00 H new ATOM 0 HA ASP A 16 2.122 22.032 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.849 20.948 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.148 20.963 2.246 1.00 0.00 H new ATOM 216 N GLY A 17 -0.801 20.669 4.230 1.00 0.00 N ATOM 217 CA GLY A 17 -2.230 20.866 4.381 1.00 0.00 C ATOM 218 C GLY A 17 -3.019 20.303 3.215 1.00 0.00 C ATOM 219 O GLY A 17 -3.024 20.876 2.126 1.00 0.00 O ATOM 0 H GLY A 17 -0.530 19.749 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.564 20.392 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.439 21.932 4.476 1.00 0.00 H new ATOM 223 N GLY A 18 -3.688 19.177 3.443 1.00 0.00 N ATOM 224 CA GLY A 18 -4.473 18.555 2.393 1.00 0.00 C ATOM 225 C GLY A 18 -4.637 17.062 2.599 1.00 0.00 C ATOM 226 O GLY A 18 -4.384 16.547 3.688 1.00 0.00 O ATOM 0 H GLY A 18 -3.700 18.685 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.456 19.023 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.995 18.735 1.430 1.00 0.00 H new ATOM 230 N SER A 19 -5.064 16.365 1.551 1.00 0.00 N ATOM 231 CA SER A 19 -5.267 14.923 1.623 1.00 0.00 C ATOM 232 C SER A 19 -5.503 14.337 0.235 1.00 0.00 C ATOM 233 O SER A 19 -6.411 14.758 -0.482 1.00 0.00 O ATOM 234 CB SER A 19 -6.452 14.598 2.535 1.00 0.00 C ATOM 235 OG SER A 19 -7.513 15.516 2.338 1.00 0.00 O ATOM 0 H SER A 19 -5.276 16.776 0.642 1.00 0.00 H new ATOM 0 HA SER A 19 -4.364 14.475 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.801 13.585 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.132 14.625 3.577 1.00 0.00 H new ATOM 0 HG SER A 19 -8.259 15.286 2.931 1.00 0.00 H new ATOM 241 N TYR A 20 -4.680 13.363 -0.138 1.00 0.00 N ATOM 242 CA TYR A 20 -4.797 12.720 -1.441 1.00 0.00 C ATOM 243 C TYR A 20 -5.388 11.320 -1.307 1.00 0.00 C ATOM 244 O TYR A 20 -5.604 10.829 -0.200 1.00 0.00 O ATOM 245 CB TYR A 20 -3.429 12.646 -2.121 1.00 0.00 C ATOM 246 CG TYR A 20 -2.686 13.963 -2.133 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.334 15.145 -2.468 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.336 14.024 -1.809 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.659 16.350 -2.481 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.653 15.225 -1.818 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.319 16.385 -2.155 1.00 0.00 C ATOM 252 OH TYR A 20 -0.643 17.584 -2.166 1.00 0.00 O ATOM 0 H TYR A 20 -3.924 13.002 0.444 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.468 13.320 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.820 11.899 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.561 12.304 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.383 15.121 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.812 13.117 -1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.177 17.260 -2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.396 15.255 -1.563 1.00 0.00 H new ATOM 0 HH TYR A 20 0.292 17.435 -1.912 1.00 0.00 H new ATOM 262 N ALA A 21 -5.646 10.683 -2.444 1.00 0.00 N ATOM 263 CA ALA A 21 -6.209 9.338 -2.455 1.00 0.00 C ATOM 264 C ALA A 21 -5.367 8.398 -3.311 1.00 0.00 C ATOM 265 O ALA A 21 -5.195 8.620 -4.510 1.00 0.00 O ATOM 266 CB ALA A 21 -7.644 9.371 -2.959 1.00 0.00 C ATOM 0 H ALA A 21 -5.474 11.076 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.203 8.960 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.052 8.360 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.245 10.003 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.665 9.774 -3.972 1.00 0.00 H new ATOM 272 N TYR A 22 -4.845 7.347 -2.688 1.00 0.00 N ATOM 273 CA TYR A 22 -4.019 6.374 -3.393 1.00 0.00 C ATOM 274 C TYR A 22 -4.722 5.023 -3.481 1.00 0.00 C ATOM 275 O TYR A 22 -5.555 4.689 -2.639 1.00 0.00 O ATOM 276 CB TYR A 22 -2.670 6.214 -2.688 1.00 0.00 C ATOM 277 CG TYR A 22 -1.747 7.397 -2.872 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.961 8.585 -2.184 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.659 7.327 -3.734 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.120 9.668 -2.349 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.188 8.405 -3.905 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.047 9.573 -3.211 1.00 0.00 C ATOM 283 OH TYR A 22 0.793 10.650 -3.378 1.00 0.00 O ATOM 0 H TYR A 22 -4.979 7.147 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.852 6.743 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.842 6.060 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.177 5.317 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.800 8.663 -1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.472 6.414 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.301 10.584 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.029 8.333 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 22 0.290 11.481 -3.245 1.00 0.00 H new ATOM 293 N ALA A 23 -4.380 4.251 -4.507 1.00 0.00 N ATOM 294 CA ALA A 23 -4.976 2.936 -4.705 1.00 0.00 C ATOM 295 C ALA A 23 -3.910 1.845 -4.707 1.00 0.00 C ATOM 296 O ALA A 23 -2.953 1.901 -5.479 1.00 0.00 O ATOM 297 CB ALA A 23 -5.768 2.905 -6.003 1.00 0.00 C ATOM 0 H ALA A 23 -3.693 4.514 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.655 2.743 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.207 1.917 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.561 3.652 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.104 3.124 -6.839 1.00 0.00 H new ATOM 303 N ILE A 24 -4.082 0.854 -3.839 1.00 0.00 N ATOM 304 CA ILE A 24 -3.135 -0.249 -3.742 1.00 0.00 C ATOM 305 C ILE A 24 -3.785 -1.478 -3.115 1.00 0.00 C ATOM 306 O ILE A 24 -4.757 -1.367 -2.370 1.00 0.00 O ATOM 307 CB ILE A 24 -1.897 0.142 -2.913 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.961 -1.058 -2.756 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.319 0.675 -1.552 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.449 -0.677 -2.364 1.00 0.00 C ATOM 0 H ILE A 24 -4.869 0.793 -3.193 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.821 -0.485 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.359 0.931 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.370 -1.731 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.932 -1.611 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.434 0.947 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.950 1.554 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.876 -0.094 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.057 -1.577 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.877 -0.028 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.432 -0.150 -1.410 1.00 0.00 H new ATOM 322 N ASN A 25 -3.239 -2.651 -3.421 1.00 0.00 N ATOM 323 CA ASN A 25 -3.764 -3.902 -2.886 1.00 0.00 C ATOM 324 C ASN A 25 -3.176 -4.195 -1.510 1.00 0.00 C ATOM 325 O ASN A 25 -2.010 -3.910 -1.232 1.00 0.00 O ATOM 326 CB ASN A 25 -3.458 -5.057 -3.841 1.00 0.00 C ATOM 327 CG ASN A 25 -4.530 -5.233 -4.899 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.224 -6.250 -4.933 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.671 -4.240 -5.770 1.00 0.00 N ATOM 0 H ASN A 25 -2.433 -2.761 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.844 -3.800 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.498 -4.879 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.360 -5.980 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.376 -4.302 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.074 -3.416 -5.704 1.00 0.00 H new ATOM 336 N PRO A 26 -3.999 -4.779 -0.626 1.00 0.00 N ATOM 337 CA PRO A 26 -3.581 -5.125 0.736 1.00 0.00 C ATOM 338 C PRO A 26 -2.580 -6.274 0.761 1.00 0.00 C ATOM 339 O PRO A 26 -2.048 -6.623 1.814 1.00 0.00 O ATOM 340 CB PRO A 26 -4.890 -5.540 1.413 1.00 0.00 C ATOM 341 CG PRO A 26 -5.766 -5.996 0.297 1.00 0.00 C ATOM 342 CD PRO A 26 -5.400 -5.147 -0.889 1.00 0.00 C ATOM 0 HA PRO A 26 -3.073 -4.296 1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.725 -6.337 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.338 -4.706 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.608 -7.053 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.819 -5.876 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.502 -5.698 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.039 -4.267 -0.966 1.00 0.00 H new ATOM 350 N ASN A 27 -2.327 -6.858 -0.406 1.00 0.00 N ATOM 351 CA ASN A 27 -1.389 -7.969 -0.517 1.00 0.00 C ATOM 352 C ASN A 27 0.023 -7.463 -0.794 1.00 0.00 C ATOM 353 O ASN A 27 1.007 -8.099 -0.416 1.00 0.00 O ATOM 354 CB ASN A 27 -1.827 -8.925 -1.629 1.00 0.00 C ATOM 355 CG ASN A 27 -1.259 -8.539 -2.981 1.00 0.00 C ATOM 356 OD1 ASN A 27 -1.868 -7.770 -3.725 1.00 0.00 O ATOM 357 ND2 ASN A 27 -0.087 -9.072 -3.304 1.00 0.00 N ATOM 0 H ASN A 27 -2.758 -6.580 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.385 -8.504 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.509 -9.937 -1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.915 -8.938 -1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.345 -8.849 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.382 -9.705 -2.656 1.00 0.00 H new ATOM 364 N SER A 28 0.115 -6.314 -1.456 1.00 0.00 N ATOM 365 CA SER A 28 1.406 -5.723 -1.787 1.00 0.00 C ATOM 366 C SER A 28 2.068 -5.134 -0.545 1.00 0.00 C ATOM 367 O SER A 28 1.391 -4.682 0.378 1.00 0.00 O ATOM 368 CB SER A 28 1.237 -4.638 -2.852 1.00 0.00 C ATOM 369 OG SER A 28 2.494 -4.169 -3.307 1.00 0.00 O ATOM 0 H SER A 28 -0.690 -5.774 -1.774 1.00 0.00 H new ATOM 0 HA SER A 28 2.048 -6.511 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.668 -5.035 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.663 -3.808 -2.441 1.00 0.00 H new ATOM 0 HG SER A 28 2.358 -3.478 -3.988 1.00 0.00 H new ATOM 375 N PHE A 29 3.397 -5.143 -0.530 1.00 0.00 N ATOM 376 CA PHE A 29 4.153 -4.611 0.598 1.00 0.00 C ATOM 377 C PHE A 29 3.817 -3.142 0.833 1.00 0.00 C ATOM 378 O PHE A 29 3.327 -2.455 -0.064 1.00 0.00 O ATOM 379 CB PHE A 29 5.655 -4.770 0.354 1.00 0.00 C ATOM 380 CG PHE A 29 6.092 -6.201 0.220 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.933 -7.089 1.272 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.662 -6.658 -0.957 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.336 -8.406 1.152 1.00 0.00 C ATOM 384 CE2 PHE A 29 7.066 -7.974 -1.083 1.00 0.00 C ATOM 385 CZ PHE A 29 6.902 -8.849 -0.027 1.00 0.00 C ATOM 0 H PHE A 29 3.973 -5.513 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 29 3.875 -5.176 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.927 -4.229 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.200 -4.308 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.489 -6.748 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.792 -5.978 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.208 -9.088 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.509 -8.318 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.216 -9.878 -0.123 1.00 0.00 H new ATOM 395 N ILE A 30 4.083 -2.667 2.045 1.00 0.00 N ATOM 396 CA ILE A 30 3.810 -1.279 2.398 1.00 0.00 C ATOM 397 C ILE A 30 4.518 -0.320 1.447 1.00 0.00 C ATOM 398 O ILE A 30 4.001 0.751 1.129 1.00 0.00 O ATOM 399 CB ILE A 30 4.247 -0.969 3.842 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.267 -1.590 4.839 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.346 0.534 4.054 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.959 -0.838 4.949 1.00 0.00 C ATOM 0 H ILE A 30 4.487 -3.223 2.799 1.00 0.00 H new ATOM 0 HA ILE A 30 2.732 -1.139 2.315 1.00 0.00 H new ATOM 0 HB ILE A 30 5.232 -1.405 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.062 -2.618 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.737 -1.630 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.656 0.737 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.079 0.951 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.374 0.992 3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.314 -1.335 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.153 0.183 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.467 -0.820 3.977 1.00 0.00 H new ATOM 414 N LEU A 31 5.704 -0.713 0.995 1.00 0.00 N ATOM 415 CA LEU A 31 6.484 0.111 0.077 1.00 0.00 C ATOM 416 C LEU A 31 5.671 0.463 -1.164 1.00 0.00 C ATOM 417 O LEU A 31 5.803 1.555 -1.716 1.00 0.00 O ATOM 418 CB LEU A 31 7.766 -0.618 -0.329 1.00 0.00 C ATOM 419 CG LEU A 31 8.691 0.134 -1.287 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.692 0.976 -0.511 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.411 -0.840 -2.208 1.00 0.00 C ATOM 0 H LEU A 31 6.146 -1.596 1.249 1.00 0.00 H new ATOM 0 HA LEU A 31 6.746 1.036 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.327 -0.855 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.490 -1.566 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 31 8.084 0.801 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.342 1.504 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.158 1.699 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.294 0.329 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.065 -0.287 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.006 -1.532 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.679 -1.400 -2.790 1.00 0.00 H new ATOM 433 N GLY A 32 4.827 -0.469 -1.596 1.00 0.00 N ATOM 434 CA GLY A 32 4.003 -0.237 -2.768 1.00 0.00 C ATOM 435 C GLY A 32 3.219 1.058 -2.679 1.00 0.00 C ATOM 436 O GLY A 32 2.815 1.620 -3.698 1.00 0.00 O ATOM 0 H GLY A 32 4.699 -1.380 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.636 -0.214 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.310 -1.070 -2.892 1.00 0.00 H new ATOM 440 N LEU A 33 3.002 1.533 -1.457 1.00 0.00 N ATOM 441 CA LEU A 33 2.260 2.769 -1.238 1.00 0.00 C ATOM 442 C LEU A 33 3.194 3.975 -1.251 1.00 0.00 C ATOM 443 O LEU A 33 2.860 5.028 -1.794 1.00 0.00 O ATOM 444 CB LEU A 33 1.507 2.707 0.092 1.00 0.00 C ATOM 445 CG LEU A 33 0.868 4.013 0.564 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.064 4.567 -0.502 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.118 3.799 1.871 1.00 0.00 C ATOM 0 H LEU A 33 3.329 1.081 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 33 1.542 2.880 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.725 1.953 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.198 2.365 0.862 1.00 0.00 H new ATOM 0 HG LEU A 33 1.661 4.740 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.510 5.497 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.500 4.759 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.852 3.843 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.330 4.739 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.665 3.055 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.812 3.449 2.635 1.00 0.00 H new ATOM 459 N LYS A 34 4.368 3.813 -0.650 1.00 0.00 N ATOM 460 CA LYS A 34 5.354 4.886 -0.594 1.00 0.00 C ATOM 461 C LYS A 34 5.852 5.241 -1.992 1.00 0.00 C ATOM 462 O LYS A 34 5.840 6.406 -2.386 1.00 0.00 O ATOM 463 CB LYS A 34 6.534 4.477 0.290 1.00 0.00 C ATOM 464 CG LYS A 34 6.323 4.780 1.764 1.00 0.00 C ATOM 465 CD LYS A 34 5.453 3.727 2.431 1.00 0.00 C ATOM 466 CE LYS A 34 3.980 4.099 2.364 1.00 0.00 C ATOM 467 NZ LYS A 34 3.213 3.533 3.508 1.00 0.00 N ATOM 0 H LYS A 34 4.660 2.948 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 34 4.873 5.765 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.715 3.409 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.431 4.993 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.288 4.828 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.857 5.760 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.609 2.764 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.753 3.611 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.879 5.184 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.556 3.737 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.444 4.184 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.811 2.614 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.847 3.405 4.322 1.00 0.00 H new ATOM 481 N GLN A 35 6.286 4.228 -2.735 1.00 0.00 N ATOM 482 CA GLN A 35 6.786 4.435 -4.089 1.00 0.00 C ATOM 483 C GLN A 35 5.851 5.341 -4.883 1.00 0.00 C ATOM 484 O GLN A 35 6.299 6.245 -5.588 1.00 0.00 O ATOM 485 CB GLN A 35 6.946 3.094 -4.807 1.00 0.00 C ATOM 486 CG GLN A 35 7.782 3.177 -6.073 1.00 0.00 C ATOM 487 CD GLN A 35 9.264 3.322 -5.786 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.865 2.476 -5.123 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.862 4.397 -6.286 1.00 0.00 N ATOM 0 H GLN A 35 6.302 3.257 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 35 7.759 4.920 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.405 2.379 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.959 2.706 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.618 2.281 -6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.447 4.025 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.325 5.073 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.858 4.547 -6.126 1.00 0.00 H new ATOM 498 N GLN A 36 4.551 5.093 -4.762 1.00 0.00 N ATOM 499 CA GLN A 36 3.554 5.887 -5.470 1.00 0.00 C ATOM 500 C GLN A 36 3.601 7.345 -5.023 1.00 0.00 C ATOM 501 O GLN A 36 3.361 8.255 -5.817 1.00 0.00 O ATOM 502 CB GLN A 36 2.155 5.315 -5.234 1.00 0.00 C ATOM 503 CG GLN A 36 1.848 4.091 -6.082 1.00 0.00 C ATOM 504 CD GLN A 36 0.371 3.747 -6.097 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.381 4.227 -6.946 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.052 2.912 -5.156 1.00 0.00 N ATOM 0 H GLN A 36 4.164 4.349 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 36 3.782 5.845 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.051 5.053 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.415 6.087 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.187 4.267 -7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.412 3.239 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.606 2.538 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.035 2.644 -5.116 1.00 0.00 H new ATOM 515 N ILE A 37 3.912 7.558 -3.749 1.00 0.00 N ATOM 516 CA ILE A 37 3.991 8.905 -3.198 1.00 0.00 C ATOM 517 C ILE A 37 5.259 9.615 -3.661 1.00 0.00 C ATOM 518 O ILE A 37 5.272 10.834 -3.831 1.00 0.00 O ATOM 519 CB ILE A 37 3.961 8.886 -1.658 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.691 8.194 -1.160 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.048 10.303 -1.109 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.810 7.653 0.248 1.00 0.00 C ATOM 0 H ILE A 37 4.113 6.815 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 37 3.119 9.447 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 37 4.823 8.324 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.862 8.901 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.444 7.375 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.026 10.273 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.978 10.765 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.203 10.887 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.873 7.176 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.617 6.922 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.026 8.471 0.935 1.00 0.00 H new ATOM 534 N GLU A 38 6.322 8.843 -3.866 1.00 0.00 N ATOM 535 CA GLU A 38 7.594 9.399 -4.311 1.00 0.00 C ATOM 536 C GLU A 38 7.576 9.662 -5.814 1.00 0.00 C ATOM 537 O GLU A 38 8.239 10.578 -6.302 1.00 0.00 O ATOM 538 CB GLU A 38 8.741 8.448 -3.963 1.00 0.00 C ATOM 539 CG GLU A 38 10.071 8.846 -4.580 1.00 0.00 C ATOM 540 CD GLU A 38 10.988 7.660 -4.807 1.00 0.00 C ATOM 541 OE1 GLU A 38 11.683 7.257 -3.851 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.011 7.135 -5.940 1.00 0.00 O ATOM 0 H GLU A 38 6.327 7.832 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 38 7.748 10.347 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.851 8.406 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.482 7.443 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.890 9.348 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.568 9.565 -3.929 1.00 0.00 H new ATOM 549 N ASP A 39 6.814 8.854 -6.542 1.00 0.00 N ATOM 550 CA ASP A 39 6.709 8.999 -7.989 1.00 0.00 C ATOM 551 C ASP A 39 5.629 10.012 -8.356 1.00 0.00 C ATOM 552 O ASP A 39 5.575 10.491 -9.489 1.00 0.00 O ATOM 553 CB ASP A 39 6.400 7.648 -8.638 1.00 0.00 C ATOM 554 CG ASP A 39 7.577 6.695 -8.577 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.058 6.415 -7.459 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.017 6.228 -9.648 1.00 0.00 O ATOM 0 H ASP A 39 6.259 8.091 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 39 7.666 9.362 -8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.543 7.196 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.116 7.804 -9.679 1.00 0.00 H new ATOM 561 N GLN A 40 4.772 10.332 -7.392 1.00 0.00 N ATOM 562 CA GLN A 40 3.693 11.287 -7.616 1.00 0.00 C ATOM 563 C GLN A 40 4.043 12.650 -7.029 1.00 0.00 C ATOM 564 O GLN A 40 3.843 13.681 -7.671 1.00 0.00 O ATOM 565 CB GLN A 40 2.392 10.771 -6.998 1.00 0.00 C ATOM 566 CG GLN A 40 1.783 9.600 -7.752 1.00 0.00 C ATOM 567 CD GLN A 40 0.926 10.041 -8.922 1.00 0.00 C ATOM 568 OE1 GLN A 40 1.362 10.826 -9.765 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.302 9.539 -8.980 1.00 0.00 N ATOM 0 H GLN A 40 4.804 9.944 -6.449 1.00 0.00 H new ATOM 0 HA GLN A 40 3.557 11.399 -8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.583 10.469 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.668 11.585 -6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.581 8.952 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.178 9.007 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.623 8.891 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.924 9.801 -9.744 1.00 0.00 H new ATOM 578 N GLN A 41 4.565 12.647 -5.807 1.00 0.00 N ATOM 579 CA GLN A 41 4.941 13.885 -5.135 1.00 0.00 C ATOM 580 C GLN A 41 6.396 14.241 -5.422 1.00 0.00 C ATOM 581 O GLN A 41 6.793 15.401 -5.326 1.00 0.00 O ATOM 582 CB GLN A 41 4.724 13.757 -3.626 1.00 0.00 C ATOM 583 CG GLN A 41 3.296 13.403 -3.245 1.00 0.00 C ATOM 584 CD GLN A 41 3.063 13.447 -1.748 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.975 13.744 -0.975 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.838 13.152 -1.330 1.00 0.00 N ATOM 0 H GLN A 41 4.737 11.802 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 41 4.308 14.684 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.396 12.993 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.997 14.697 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.611 14.094 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.062 12.405 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.113 12.911 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.622 13.166 -0.333 1.00 0.00 H new ATOM 595 N GLY A 42 7.188 13.233 -5.776 1.00 0.00 N ATOM 596 CA GLY A 42 8.591 13.459 -6.072 1.00 0.00 C ATOM 597 C GLY A 42 9.474 13.300 -4.850 1.00 0.00 C ATOM 598 O GLY A 42 10.678 13.070 -4.971 1.00 0.00 O ATOM 0 H GLY A 42 6.883 12.264 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.914 12.760 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.716 14.462 -6.479 1.00 0.00 H new ATOM 602 N LEU A 43 8.877 13.424 -3.670 1.00 0.00 N ATOM 603 CA LEU A 43 9.617 13.294 -2.420 1.00 0.00 C ATOM 604 C LEU A 43 10.150 11.875 -2.248 1.00 0.00 C ATOM 605 O LEU A 43 9.477 10.892 -2.558 1.00 0.00 O ATOM 606 CB LEU A 43 8.725 13.664 -1.235 1.00 0.00 C ATOM 607 CG LEU A 43 9.423 14.338 -0.053 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.471 15.285 0.660 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.963 13.294 0.913 1.00 0.00 C ATOM 0 H LEU A 43 7.882 13.615 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 43 10.464 13.979 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.937 14.327 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.239 12.757 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 43 10.262 14.919 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.985 15.755 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.133 16.053 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.611 14.726 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.456 13.792 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.140 12.685 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.680 12.656 0.396 1.00 0.00 H new ATOM 621 N PRO A 44 11.385 11.764 -1.739 1.00 0.00 N ATOM 622 CA PRO A 44 12.034 10.469 -1.511 1.00 0.00 C ATOM 623 C PRO A 44 11.388 9.691 -0.370 1.00 0.00 C ATOM 624 O PRO A 44 10.606 10.240 0.406 1.00 0.00 O ATOM 625 CB PRO A 44 13.472 10.852 -1.151 1.00 0.00 C ATOM 626 CG PRO A 44 13.370 12.233 -0.600 1.00 0.00 C ATOM 627 CD PRO A 44 12.245 12.894 -1.346 1.00 0.00 C ATOM 0 HA PRO A 44 11.957 9.815 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.893 10.164 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.121 10.822 -2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.169 12.212 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.304 12.778 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.710 13.606 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.607 13.444 -2.214 1.00 0.00 H new ATOM 635 N LYS A 45 11.721 8.408 -0.272 1.00 0.00 N ATOM 636 CA LYS A 45 11.176 7.553 0.775 1.00 0.00 C ATOM 637 C LYS A 45 11.880 7.804 2.105 1.00 0.00 C ATOM 638 O LYS A 45 11.235 8.067 3.120 1.00 0.00 O ATOM 639 CB LYS A 45 11.314 6.080 0.383 1.00 0.00 C ATOM 640 CG LYS A 45 10.603 5.726 -0.912 1.00 0.00 C ATOM 641 CD LYS A 45 10.744 4.249 -1.239 1.00 0.00 C ATOM 642 CE LYS A 45 12.149 3.915 -1.717 1.00 0.00 C ATOM 643 NZ LYS A 45 12.277 4.046 -3.195 1.00 0.00 N ATOM 0 H LYS A 45 12.367 7.938 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 45 10.120 7.794 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.372 5.836 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.917 5.460 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.547 5.982 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.013 6.321 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.509 3.656 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.022 3.975 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.865 4.577 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.402 2.897 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.234 3.761 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.576 3.434 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.111 5.035 -3.472 1.00 0.00 H new ATOM 657 N LYS A 46 13.206 7.724 2.091 1.00 0.00 N ATOM 658 CA LYS A 46 13.999 7.946 3.295 1.00 0.00 C ATOM 659 C LYS A 46 13.494 9.164 4.062 1.00 0.00 C ATOM 660 O LYS A 46 13.727 9.291 5.263 1.00 0.00 O ATOM 661 CB LYS A 46 15.473 8.133 2.931 1.00 0.00 C ATOM 662 CG LYS A 46 15.768 9.459 2.250 1.00 0.00 C ATOM 663 CD LYS A 46 17.114 9.437 1.547 1.00 0.00 C ATOM 664 CE LYS A 46 17.436 10.783 0.917 1.00 0.00 C ATOM 665 NZ LYS A 46 17.979 11.747 1.915 1.00 0.00 N ATOM 0 H LYS A 46 13.755 7.507 1.259 1.00 0.00 H new ATOM 0 HA LYS A 46 13.898 7.069 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.075 8.058 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.782 7.320 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.983 9.681 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.756 10.260 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.894 9.172 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.111 8.665 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.160 10.644 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.535 11.197 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.186 12.652 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.278 11.899 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.853 11.363 2.328 1.00 0.00 H new ATOM 679 N GLN A 47 12.801 10.055 3.360 1.00 0.00 N ATOM 680 CA GLN A 47 12.264 11.262 3.976 1.00 0.00 C ATOM 681 C GLN A 47 10.816 11.054 4.407 1.00 0.00 C ATOM 682 O GLN A 47 10.488 11.167 5.588 1.00 0.00 O ATOM 683 CB GLN A 47 12.356 12.440 3.005 1.00 0.00 C ATOM 684 CG GLN A 47 13.775 12.938 2.785 1.00 0.00 C ATOM 685 CD GLN A 47 14.243 13.870 3.885 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.478 14.226 4.781 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.508 14.272 3.823 1.00 0.00 N ATOM 0 H GLN A 47 12.598 9.963 2.365 1.00 0.00 H new ATOM 0 HA GLN A 47 12.859 11.484 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.931 12.144 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.747 13.261 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.450 12.085 2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.830 13.456 1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.108 13.952 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.879 14.900 4.536 1.00 0.00 H new ATOM 696 N GLN A 48 9.954 10.751 3.442 1.00 0.00 N ATOM 697 CA GLN A 48 8.540 10.529 3.722 1.00 0.00 C ATOM 698 C GLN A 48 8.360 9.477 4.812 1.00 0.00 C ATOM 699 O GLN A 48 8.735 8.318 4.636 1.00 0.00 O ATOM 700 CB GLN A 48 7.809 10.094 2.451 1.00 0.00 C ATOM 701 CG GLN A 48 7.781 8.587 2.250 1.00 0.00 C ATOM 702 CD GLN A 48 7.189 8.188 0.913 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.069 7.679 0.844 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.939 8.416 -0.158 1.00 0.00 N ATOM 0 H GLN A 48 10.210 10.654 2.459 1.00 0.00 H new ATOM 0 HA GLN A 48 8.113 11.468 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.785 10.467 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.289 10.558 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.795 8.195 2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.202 8.128 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.861 8.840 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.593 8.167 -1.085 1.00 0.00 H new ATOM 713 N GLN A 49 7.786 9.889 5.937 1.00 0.00 N ATOM 714 CA GLN A 49 7.557 8.982 7.055 1.00 0.00 C ATOM 715 C GLN A 49 6.100 9.024 7.502 1.00 0.00 C ATOM 716 O GLN A 49 5.623 10.043 8.004 1.00 0.00 O ATOM 717 CB GLN A 49 8.473 9.342 8.227 1.00 0.00 C ATOM 718 CG GLN A 49 8.426 8.338 9.367 1.00 0.00 C ATOM 719 CD GLN A 49 9.306 8.738 10.534 1.00 0.00 C ATOM 720 OE1 GLN A 49 10.098 9.676 10.436 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.173 8.027 11.648 1.00 0.00 N ATOM 0 H GLN A 49 7.471 10.846 6.099 1.00 0.00 H new ATOM 0 HA GLN A 49 7.786 7.970 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.498 9.420 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.193 10.324 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.397 8.234 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.739 7.361 8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.504 7.258 11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.740 8.250 12.466 1.00 0.00 H new ATOM 730 N LEU A 50 5.397 7.913 7.316 1.00 0.00 N ATOM 731 CA LEU A 50 3.992 7.823 7.700 1.00 0.00 C ATOM 732 C LEU A 50 3.841 7.134 9.053 1.00 0.00 C ATOM 733 O LEU A 50 4.755 6.457 9.521 1.00 0.00 O ATOM 734 CB LEU A 50 3.200 7.061 6.636 1.00 0.00 C ATOM 735 CG LEU A 50 3.365 7.552 5.197 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.014 6.447 4.213 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.504 8.782 4.951 1.00 0.00 C ATOM 0 H LEU A 50 5.776 7.062 6.902 1.00 0.00 H new ATOM 0 HA LEU A 50 3.597 8.836 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.492 6.012 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.142 7.108 6.896 1.00 0.00 H new ATOM 0 HG LEU A 50 4.408 7.828 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.137 6.814 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.673 5.594 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.979 6.139 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.634 9.117 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.457 8.533 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.803 9.578 5.633 1.00 0.00 H new ATOM 749 N GLU A 51 2.679 7.312 9.674 1.00 0.00 N ATOM 750 CA GLU A 51 2.408 6.706 10.973 1.00 0.00 C ATOM 751 C GLU A 51 0.915 6.443 11.150 1.00 0.00 C ATOM 752 O GLU A 51 0.078 7.150 10.587 1.00 0.00 O ATOM 753 CB GLU A 51 2.914 7.611 12.098 1.00 0.00 C ATOM 754 CG GLU A 51 4.429 7.665 12.200 1.00 0.00 C ATOM 755 CD GLU A 51 4.906 8.098 13.573 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.729 7.321 14.535 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.457 9.213 13.686 1.00 0.00 O ATOM 0 H GLU A 51 1.911 7.870 9.300 1.00 0.00 H new ATOM 0 HA GLU A 51 2.935 5.753 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.533 8.620 11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.507 7.260 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.840 6.682 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.816 8.356 11.451 1.00 0.00 H new ATOM 764 N PHE A 52 0.589 5.421 11.934 1.00 0.00 N ATOM 765 CA PHE A 52 -0.803 5.063 12.184 1.00 0.00 C ATOM 766 C PHE A 52 -1.013 4.690 13.649 1.00 0.00 C ATOM 767 O PHE A 52 -0.477 3.691 14.128 1.00 0.00 O ATOM 768 CB PHE A 52 -1.222 3.899 11.284 1.00 0.00 C ATOM 769 CG PHE A 52 -2.709 3.709 11.204 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.546 4.785 10.958 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.271 2.454 11.374 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.916 4.613 10.884 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.639 2.275 11.301 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.463 3.357 11.054 1.00 0.00 C ATOM 0 H PHE A 52 1.269 4.826 12.407 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.422 5.930 11.955 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.831 4.067 10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.766 2.981 11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.124 5.770 10.822 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.632 1.605 11.566 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.558 5.461 10.693 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.064 1.291 11.437 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.533 3.220 10.994 1.00 0.00 H new ATOM 784 N GLN A 53 -1.796 5.500 14.353 1.00 0.00 N ATOM 785 CA GLN A 53 -2.076 5.256 15.763 1.00 0.00 C ATOM 786 C GLN A 53 -0.785 5.201 16.573 1.00 0.00 C ATOM 787 O GLN A 53 -0.604 4.319 17.411 1.00 0.00 O ATOM 788 CB GLN A 53 -2.854 3.949 15.931 1.00 0.00 C ATOM 789 CG GLN A 53 -4.198 3.946 15.222 1.00 0.00 C ATOM 790 CD GLN A 53 -5.084 5.102 15.644 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.404 5.255 16.823 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.485 5.922 14.680 1.00 0.00 N ATOM 0 H GLN A 53 -2.248 6.331 13.971 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.682 6.082 16.136 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.250 3.125 15.551 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.013 3.764 16.993 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.036 3.992 14.145 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.711 3.006 15.428 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.195 5.756 13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.083 6.718 14.903 1.00 0.00 H new ATOM 801 N GLY A 54 0.109 6.151 16.317 1.00 0.00 N ATOM 802 CA GLY A 54 1.373 6.192 17.030 1.00 0.00 C ATOM 803 C GLY A 54 2.265 5.012 16.698 1.00 0.00 C ATOM 804 O GLY A 54 2.854 4.402 17.589 1.00 0.00 O ATOM 0 H GLY A 54 -0.019 6.893 15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.894 7.118 16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.181 6.208 18.103 1.00 0.00 H new ATOM 808 N GLN A 55 2.363 4.690 15.412 1.00 0.00 N ATOM 809 CA GLN A 55 3.188 3.574 14.965 1.00 0.00 C ATOM 810 C GLN A 55 3.941 3.931 13.688 1.00 0.00 C ATOM 811 O GLN A 55 3.577 4.872 12.983 1.00 0.00 O ATOM 812 CB GLN A 55 2.323 2.335 14.731 1.00 0.00 C ATOM 813 CG GLN A 55 1.450 1.968 15.921 1.00 0.00 C ATOM 814 CD GLN A 55 0.930 0.546 15.848 1.00 0.00 C ATOM 815 OE1 GLN A 55 1.323 -0.312 16.639 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.042 0.288 14.895 1.00 0.00 N ATOM 0 H GLN A 55 1.882 5.186 14.662 1.00 0.00 H new ATOM 0 HA GLN A 55 3.917 3.358 15.746 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.686 2.505 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.970 1.491 14.491 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.023 2.094 16.840 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.607 2.657 15.974 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.256 1.030 14.261 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.342 -0.652 14.797 1.00 0.00 H new ATOM 825 N VAL A 56 4.995 3.174 13.398 1.00 0.00 N ATOM 826 CA VAL A 56 5.800 3.410 12.205 1.00 0.00 C ATOM 827 C VAL A 56 5.688 2.246 11.228 1.00 0.00 C ATOM 828 O VAL A 56 6.146 1.137 11.510 1.00 0.00 O ATOM 829 CB VAL A 56 7.282 3.626 12.562 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.100 3.895 11.309 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.429 4.766 13.559 1.00 0.00 C ATOM 0 H VAL A 56 5.311 2.393 13.973 1.00 0.00 H new ATOM 0 HA VAL A 56 5.412 4.314 11.735 1.00 0.00 H new ATOM 0 HB VAL A 56 7.662 2.716 13.026 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.145 4.045 11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.020 3.044 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.722 4.789 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.483 4.905 13.800 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.032 5.683 13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.877 4.528 14.468 1.00 0.00 H new ATOM 841 N LEU A 57 5.078 2.503 10.076 1.00 0.00 N ATOM 842 CA LEU A 57 4.907 1.476 9.054 1.00 0.00 C ATOM 843 C LEU A 57 6.195 1.275 8.263 1.00 0.00 C ATOM 844 O LEU A 57 6.790 2.235 7.774 1.00 0.00 O ATOM 845 CB LEU A 57 3.767 1.856 8.108 1.00 0.00 C ATOM 846 CG LEU A 57 2.512 2.432 8.765 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.515 2.881 7.708 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.881 1.408 9.697 1.00 0.00 C ATOM 0 H LEU A 57 4.693 3.414 9.826 1.00 0.00 H new ATOM 0 HA LEU A 57 4.660 0.539 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.145 2.585 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.482 0.970 7.541 1.00 0.00 H new ATOM 0 HG LEU A 57 2.800 3.302 9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.628 3.288 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.970 3.648 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.231 2.029 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.989 1.835 10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.607 0.519 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.594 1.136 10.475 1.00 0.00 H new ATOM 860 N GLN A 58 6.618 0.021 8.139 1.00 0.00 N ATOM 861 CA GLN A 58 7.835 -0.305 7.405 1.00 0.00 C ATOM 862 C GLN A 58 7.572 -0.338 5.903 1.00 0.00 C ATOM 863 O GLN A 58 6.471 -0.028 5.449 1.00 0.00 O ATOM 864 CB GLN A 58 8.388 -1.654 7.868 1.00 0.00 C ATOM 865 CG GLN A 58 9.050 -1.604 9.236 1.00 0.00 C ATOM 866 CD GLN A 58 10.235 -0.660 9.276 1.00 0.00 C ATOM 867 OE1 GLN A 58 11.039 -0.614 8.345 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.350 0.100 10.359 1.00 0.00 N ATOM 0 H GLN A 58 6.136 -0.785 8.537 1.00 0.00 H new ATOM 0 HA GLN A 58 8.572 0.471 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.576 -2.381 7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.113 -2.011 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.316 -1.292 9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.379 -2.606 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.660 0.029 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.128 0.754 10.443 1.00 0.00 H new ATOM 877 N ASP A 59 8.591 -0.716 5.138 1.00 0.00 N ATOM 878 CA ASP A 59 8.470 -0.790 3.686 1.00 0.00 C ATOM 879 C ASP A 59 8.439 -2.241 3.217 1.00 0.00 C ATOM 880 O ASP A 59 7.890 -2.549 2.159 1.00 0.00 O ATOM 881 CB ASP A 59 9.630 -0.049 3.018 1.00 0.00 C ATOM 882 CG ASP A 59 9.894 1.303 3.651 1.00 0.00 C ATOM 883 OD1 ASP A 59 10.641 1.354 4.650 1.00 0.00 O ATOM 884 OD2 ASP A 59 9.354 2.310 3.147 1.00 0.00 O ATOM 0 H ASP A 59 9.509 -0.976 5.499 1.00 0.00 H new ATOM 0 HA ASP A 59 7.532 -0.314 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.531 -0.659 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.410 0.086 1.959 1.00 0.00 H new ATOM 889 N TRP A 60 9.031 -3.126 4.010 1.00 0.00 N ATOM 890 CA TRP A 60 9.072 -4.545 3.674 1.00 0.00 C ATOM 891 C TRP A 60 7.802 -5.250 4.136 1.00 0.00 C ATOM 892 O TRP A 60 7.352 -6.213 3.513 1.00 0.00 O ATOM 893 CB TRP A 60 10.297 -5.205 4.310 1.00 0.00 C ATOM 894 CG TRP A 60 10.070 -5.638 5.727 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.370 -6.733 6.147 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.542 -4.984 6.909 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.379 -6.799 7.520 1.00 0.00 N ATOM 898 CE2 TRP A 60 10.092 -5.738 8.011 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.304 -3.836 7.145 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.379 -5.379 9.325 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.587 -3.481 8.450 1.00 0.00 C ATOM 902 CH2 TRP A 60 11.126 -4.250 9.527 1.00 0.00 C ATOM 0 H TRP A 60 9.489 -2.887 4.889 1.00 0.00 H new ATOM 0 HA TRP A 60 9.141 -4.635 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.584 -6.072 3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.133 -4.507 4.281 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.881 -7.443 5.496 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.928 -7.521 8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.665 -3.237 6.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.025 -5.971 10.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.174 -2.595 8.643 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.365 -3.946 10.535 1.00 0.00 H new ATOM 913 N LEU A 61 7.227 -4.767 5.232 1.00 0.00 N ATOM 914 CA LEU A 61 6.006 -5.351 5.777 1.00 0.00 C ATOM 915 C LEU A 61 4.845 -5.197 4.800 1.00 0.00 C ATOM 916 O LEU A 61 5.011 -4.671 3.700 1.00 0.00 O ATOM 917 CB LEU A 61 5.655 -4.694 7.113 1.00 0.00 C ATOM 918 CG LEU A 61 6.738 -4.744 8.191 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.354 -3.870 9.375 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.977 -6.178 8.640 1.00 0.00 C ATOM 0 H LEU A 61 7.587 -3.972 5.761 1.00 0.00 H new ATOM 0 HA LEU A 61 6.182 -6.415 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.404 -3.650 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.758 -5.172 7.505 1.00 0.00 H new ATOM 0 HG LEU A 61 7.665 -4.358 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.137 -3.918 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.234 -2.839 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.416 -4.225 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.751 -6.195 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.054 -6.591 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.298 -6.777 7.788 1.00 0.00 H new ATOM 932 N GLY A 62 3.667 -5.657 5.211 1.00 0.00 N ATOM 933 CA GLY A 62 2.495 -5.559 4.362 1.00 0.00 C ATOM 934 C GLY A 62 1.365 -4.792 5.020 1.00 0.00 C ATOM 935 O GLY A 62 1.387 -4.554 6.228 1.00 0.00 O ATOM 0 H GLY A 62 3.504 -6.096 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.767 -5.068 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.150 -6.561 4.107 1.00 0.00 H new ATOM 939 N LEU A 63 0.375 -4.403 4.224 1.00 0.00 N ATOM 940 CA LEU A 63 -0.769 -3.656 4.736 1.00 0.00 C ATOM 941 C LEU A 63 -1.583 -4.505 5.708 1.00 0.00 C ATOM 942 O LEU A 63 -2.137 -3.994 6.680 1.00 0.00 O ATOM 943 CB LEU A 63 -1.657 -3.191 3.581 1.00 0.00 C ATOM 944 CG LEU A 63 -1.143 -1.995 2.779 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.133 -2.358 2.037 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.207 -1.508 1.806 1.00 0.00 C ATOM 0 H LEU A 63 0.341 -4.592 3.222 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.393 -2.784 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.797 -4.028 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.639 -2.939 3.982 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.917 -1.187 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.484 -1.494 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.898 -2.658 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.066 -3.183 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.824 -0.656 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.465 -2.312 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.096 -1.206 2.360 1.00 0.00 H new ATOM 958 N GLY A 64 -1.648 -5.806 5.439 1.00 0.00 N ATOM 959 CA GLY A 64 -2.393 -6.705 6.300 1.00 0.00 C ATOM 960 C GLY A 64 -1.732 -6.896 7.650 1.00 0.00 C ATOM 961 O GLY A 64 -2.406 -6.920 8.681 1.00 0.00 O ATOM 0 H GLY A 64 -1.198 -6.253 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.400 -6.313 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.495 -7.673 5.809 1.00 0.00 H new ATOM 965 N ILE A 65 -0.411 -7.032 7.647 1.00 0.00 N ATOM 966 CA ILE A 65 0.341 -7.222 8.881 1.00 0.00 C ATOM 967 C ILE A 65 -0.202 -6.336 9.997 1.00 0.00 C ATOM 968 O ILE A 65 -0.374 -6.784 11.131 1.00 0.00 O ATOM 969 CB ILE A 65 1.837 -6.919 8.681 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.410 -7.782 7.555 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.602 -7.151 9.976 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.799 -9.164 7.484 1.00 0.00 C ATOM 0 H ILE A 65 0.162 -7.014 6.803 1.00 0.00 H new ATOM 0 HA ILE A 65 0.226 -8.269 9.163 1.00 0.00 H new ATOM 0 HB ILE A 65 1.946 -5.871 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.253 -7.275 6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.487 -7.876 7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.658 -6.933 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.208 -6.497 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.488 -8.190 10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.252 -9.720 6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.979 -9.690 8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.725 -9.079 7.316 1.00 0.00 H new ATOM 984 N TYR A 66 -0.471 -5.078 9.668 1.00 0.00 N ATOM 985 CA TYR A 66 -0.994 -4.128 10.642 1.00 0.00 C ATOM 986 C TYR A 66 -2.501 -4.298 10.814 1.00 0.00 C ATOM 987 O TYR A 66 -3.016 -4.284 11.931 1.00 0.00 O ATOM 988 CB TYR A 66 -0.677 -2.695 10.210 1.00 0.00 C ATOM 989 CG TYR A 66 0.752 -2.284 10.482 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.176 -1.980 11.770 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.680 -2.199 9.451 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.480 -1.603 12.023 1.00 0.00 C ATOM 993 CE2 TYR A 66 2.987 -1.824 9.695 1.00 0.00 C ATOM 994 CZ TYR A 66 3.382 -1.527 10.982 1.00 0.00 C ATOM 995 OH TYR A 66 4.683 -1.152 11.230 1.00 0.00 O ATOM 0 H TYR A 66 -0.335 -4.692 8.734 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.512 -4.326 11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.879 -2.592 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.348 -2.011 10.729 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.473 -2.040 12.588 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.374 -2.430 8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.792 -1.369 13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.695 -1.764 8.882 1.00 0.00 H new ATOM 0 HH TYR A 66 4.695 -0.439 11.902 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.203 -4.457 9.696 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.644 -4.628 9.742 1.00 0.00 C ATOM 1007 C GLY A 67 -5.389 -3.395 9.270 1.00 0.00 C ATOM 1008 O GLY A 67 -6.542 -3.178 9.643 1.00 0.00 O ATOM 0 H GLY A 67 -2.800 -4.470 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.926 -5.479 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.947 -4.863 10.762 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.729 -2.586 8.448 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.337 -1.369 7.925 1.00 0.00 C ATOM 1014 C ILE A 68 -6.629 -1.677 7.177 1.00 0.00 C ATOM 1015 O ILE A 68 -6.759 -2.729 6.550 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.377 -0.621 6.981 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.081 -0.266 7.713 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.042 0.633 6.433 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.960 0.153 6.789 1.00 0.00 C ATOM 0 H ILE A 68 -3.774 -2.751 8.130 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.559 -0.734 8.783 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.133 -1.274 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.281 0.541 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.756 -1.127 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.351 1.150 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.940 0.357 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.313 1.292 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.073 0.390 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.732 -0.661 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.265 1.033 6.222 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.582 -0.753 7.245 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.864 -0.926 6.573 1.00 0.00 C ATOM 1033 C GLN A 69 -9.061 0.135 5.495 1.00 0.00 C ATOM 1034 O GLN A 69 -8.391 1.167 5.496 1.00 0.00 O ATOM 1035 CB GLN A 69 -10.008 -0.859 7.586 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.226 -2.159 8.344 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.929 -3.210 7.508 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -10.926 -3.147 6.279 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.538 -4.186 8.173 1.00 0.00 N ATOM 0 H GLN A 69 -7.490 0.123 7.759 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.867 -1.907 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.804 -0.061 8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.928 -0.593 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.263 -2.548 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.814 -1.959 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.516 -4.200 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.028 -4.922 7.664 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.984 -0.128 4.576 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.269 0.805 3.492 1.00 0.00 C ATOM 1050 C ASP A 70 -10.761 2.141 4.040 1.00 0.00 C ATOM 1051 O ASP A 70 -11.483 2.187 5.035 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.314 0.213 2.544 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.679 0.090 3.191 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -13.339 1.132 3.389 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.089 -1.049 3.498 1.00 0.00 O ATOM 0 H ASP A 70 -10.547 -0.978 4.560 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.345 0.977 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.391 0.840 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.983 -0.771 2.212 1.00 0.00 H new ATOM 1060 N SER A 71 -10.363 3.226 3.383 1.00 0.00 N ATOM 1061 CA SER A 71 -10.759 4.564 3.807 1.00 0.00 C ATOM 1062 C SER A 71 -10.095 4.933 5.130 1.00 0.00 C ATOM 1063 O SER A 71 -10.747 5.436 6.046 1.00 0.00 O ATOM 1064 CB SER A 71 -12.280 4.649 3.946 1.00 0.00 C ATOM 1065 OG SER A 71 -12.727 5.990 3.855 1.00 0.00 O ATOM 0 H SER A 71 -9.767 3.205 2.556 1.00 0.00 H new ATOM 0 HA SER A 71 -10.431 5.272 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.753 4.051 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.585 4.225 4.903 1.00 0.00 H new ATOM 0 HG SER A 71 -13.702 6.017 3.945 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.794 4.680 5.222 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.039 4.986 6.432 1.00 0.00 C ATOM 1073 C ASP A 72 -7.329 6.330 6.304 1.00 0.00 C ATOM 1074 O ASP A 72 -7.362 6.965 5.249 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.020 3.882 6.716 1.00 0.00 C ATOM 1076 CG ASP A 72 -5.764 4.024 5.880 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.855 4.573 4.762 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -4.690 3.586 6.343 1.00 0.00 O ATOM 0 H ASP A 72 -8.240 4.264 4.473 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.741 5.044 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.753 3.901 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.476 2.912 6.519 1.00 0.00 H new ATOM 1083 N THR A 73 -6.687 6.760 7.386 1.00 0.00 N ATOM 1084 CA THR A 73 -5.971 8.030 7.395 1.00 0.00 C ATOM 1085 C THR A 73 -4.516 7.837 7.809 1.00 0.00 C ATOM 1086 O THR A 73 -4.227 7.189 8.816 1.00 0.00 O ATOM 1087 CB THR A 73 -6.634 9.042 8.348 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.009 9.221 7.992 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.914 10.381 8.302 1.00 0.00 C ATOM 0 H THR A 73 -6.648 6.248 8.267 1.00 0.00 H new ATOM 0 HA THR A 73 -6.008 8.422 6.378 1.00 0.00 H new ATOM 0 HB THR A 73 -6.570 8.648 9.362 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.424 9.865 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.400 11.079 8.983 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.875 10.246 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.950 10.779 7.288 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.604 8.404 7.028 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.177 8.295 7.314 1.00 0.00 C ATOM 1099 C LEU A 74 -1.510 9.666 7.286 1.00 0.00 C ATOM 1100 O LEU A 74 -1.604 10.392 6.296 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.503 7.366 6.303 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.127 5.978 6.147 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.621 5.305 4.880 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.826 5.119 7.366 1.00 0.00 C ATOM 0 H LEU A 74 -3.826 8.944 6.192 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.063 7.876 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.508 7.856 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.459 7.243 6.592 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.208 6.093 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.075 4.319 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.887 5.912 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.537 5.202 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.277 4.135 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.747 5.012 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.238 5.594 8.256 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.836 10.013 8.377 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.150 11.295 8.475 1.00 0.00 C ATOM 1118 C ILE A 75 1.210 11.246 7.787 1.00 0.00 C ATOM 1119 O ILE A 75 1.943 10.263 7.906 1.00 0.00 O ATOM 1120 CB ILE A 75 0.045 11.719 9.943 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.238 11.478 10.741 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.458 13.181 10.022 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.436 12.226 10.199 1.00 0.00 C ATOM 0 H ILE A 75 -0.750 9.424 9.205 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.781 12.029 7.974 1.00 0.00 H new ATOM 0 HB ILE A 75 0.840 11.113 10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.458 10.410 10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.073 11.774 11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.592 13.465 11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.395 13.324 9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.317 13.803 9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.310 12.008 10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.236 13.297 10.220 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.627 11.912 9.173 1.00 0.00 H new ATOM 1135 N LEU A 76 1.542 12.312 7.068 1.00 0.00 N ATOM 1136 CA LEU A 76 2.816 12.392 6.361 1.00 0.00 C ATOM 1137 C LEU A 76 3.673 13.528 6.911 1.00 0.00 C ATOM 1138 O LEU A 76 3.225 14.671 6.998 1.00 0.00 O ATOM 1139 CB LEU A 76 2.579 12.596 4.863 1.00 0.00 C ATOM 1140 CG LEU A 76 3.815 12.925 4.027 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.500 11.650 3.561 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.438 13.796 2.837 1.00 0.00 C ATOM 0 H LEU A 76 0.947 13.133 6.959 1.00 0.00 H new ATOM 0 HA LEU A 76 3.348 11.453 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.124 11.691 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.855 13.401 4.736 1.00 0.00 H new ATOM 0 HG LEU A 76 4.514 13.481 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.378 11.905 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.806 11.064 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.808 11.066 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.331 14.020 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.719 13.267 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.994 14.726 3.193 1.00 0.00 H new ATOM 1154 N SER A 77 4.909 13.205 7.278 1.00 0.00 N ATOM 1155 CA SER A 77 5.829 14.198 7.821 1.00 0.00 C ATOM 1156 C SER A 77 7.259 13.918 7.368 1.00 0.00 C ATOM 1157 O SER A 77 7.754 12.798 7.490 1.00 0.00 O ATOM 1158 CB SER A 77 5.759 14.207 9.349 1.00 0.00 C ATOM 1159 OG SER A 77 4.495 14.663 9.799 1.00 0.00 O ATOM 0 H SER A 77 5.296 12.264 7.209 1.00 0.00 H new ATOM 0 HA SER A 77 5.532 15.177 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.944 13.203 9.731 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.544 14.849 9.748 1.00 0.00 H new ATOM 0 HG SER A 77 4.475 14.658 10.779 1.00 0.00 H new ATOM 1165 N LYS A 78 7.918 14.946 6.843 1.00 0.00 N ATOM 1166 CA LYS A 78 9.291 14.814 6.372 1.00 0.00 C ATOM 1167 C LYS A 78 10.265 14.748 7.544 1.00 0.00 C ATOM 1168 O LYS A 78 9.978 15.248 8.632 1.00 0.00 O ATOM 1169 CB LYS A 78 9.654 15.988 5.460 1.00 0.00 C ATOM 1170 CG LYS A 78 9.499 17.345 6.124 1.00 0.00 C ATOM 1171 CD LYS A 78 10.379 18.393 5.464 1.00 0.00 C ATOM 1172 CE LYS A 78 9.871 18.755 4.077 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.258 20.140 3.689 1.00 0.00 N ATOM 0 H LYS A 78 7.523 15.880 6.733 1.00 0.00 H new ATOM 0 HA LYS A 78 9.367 13.885 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.685 15.872 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.025 15.954 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.457 17.659 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.756 17.266 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.410 19.288 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.400 18.019 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.269 18.049 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.785 18.661 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.893 20.349 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.857 20.816 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.295 20.223 3.688 1.00 0.00 H new ATOM 1187 N LYS A 79 11.418 14.130 7.316 1.00 0.00 N ATOM 1188 CA LYS A 79 12.436 14.000 8.351 1.00 0.00 C ATOM 1189 C LYS A 79 13.179 15.318 8.551 1.00 0.00 C ATOM 1190 O LYS A 79 13.227 16.158 7.653 1.00 0.00 O ATOM 1191 CB LYS A 79 13.428 12.894 7.985 1.00 0.00 C ATOM 1192 CG LYS A 79 12.764 11.570 7.645 1.00 0.00 C ATOM 1193 CD LYS A 79 12.619 10.688 8.874 1.00 0.00 C ATOM 1194 CE LYS A 79 12.354 9.240 8.491 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.608 8.526 8.121 1.00 0.00 N ATOM 0 H LYS A 79 11.671 13.710 6.422 1.00 0.00 H new ATOM 0 HA LYS A 79 11.938 13.738 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.026 13.220 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.115 12.743 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.781 11.755 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.353 11.050 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.527 10.747 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.802 11.057 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.875 8.726 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.657 9.207 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.485 7.505 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.823 8.699 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.392 8.874 8.709 1.00 0.00 H new