USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 51 MET CE :methyl 139:sc= -2.43 (180deg=-5.02!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -139:sc= -0.214 USER MOD Set 2.2: A 48 GLN : amide:sc= -2.82 K(o=-12,f=-28!) USER MOD Set 2.3: A 75 MET CE :methyl -120:sc= -8.78! (180deg=-7.78!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 26 THR OG1 : rot -112:sc= 0.624 USER MOD Single : A 1 GLY N :NH3+ 126:sc= 0.05 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -4.16! C(o=-4.2!,f=-4.1!) USER MOD Single : A 31 MET CE :methyl -104:sc= -2.01! (180deg=-5.93!) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.0269 (180deg=-0.722) USER MOD Single : A 36 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.56) USER MOD Single : A 44 GLN : amide:sc= 0.273 K(o=0.27,f=-7.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 165:sc= -1.18 (180deg=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.97! K(o=-2!,f=-0.0069) USER MOD Single : A 71 MET CE :methyl -176:sc= -1.47 (180deg=-1.49) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.665 5.307 -15.774 1.00 0.00 N ATOM 2 CA GLY A 1 6.696 4.755 -16.706 1.00 0.00 C ATOM 3 C GLY A 1 5.964 5.867 -17.459 1.00 0.00 C ATOM 4 O GLY A 1 5.820 6.977 -16.948 1.00 0.00 O ATOM 0 H1 GLY A 1 7.489 4.924 -14.823 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.625 5.050 -16.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.575 6.343 -15.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.201 4.101 -17.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.975 4.141 -16.166 1.00 0.00 H new ATOM 8 N SER A 2 5.521 5.531 -18.662 1.00 0.00 N ATOM 9 CA SER A 2 4.807 6.488 -19.490 1.00 0.00 C ATOM 10 C SER A 2 3.777 5.763 -20.359 1.00 0.00 C ATOM 11 O SER A 2 3.895 4.561 -20.594 1.00 0.00 O ATOM 12 CB SER A 2 5.774 7.286 -20.368 1.00 0.00 C ATOM 13 OG SER A 2 5.509 8.685 -20.318 1.00 0.00 O ATOM 0 H SER A 2 5.643 4.610 -19.083 1.00 0.00 H new ATOM 0 HA SER A 2 4.291 7.189 -18.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.797 7.099 -20.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.698 6.939 -21.399 1.00 0.00 H new ATOM 0 HG SER A 2 6.148 9.160 -20.890 1.00 0.00 H new ATOM 19 N SER A 3 2.791 6.523 -20.810 1.00 0.00 N ATOM 20 CA SER A 3 1.741 5.967 -21.648 1.00 0.00 C ATOM 21 C SER A 3 0.960 4.906 -20.871 1.00 0.00 C ATOM 22 O SER A 3 1.492 4.288 -19.950 1.00 0.00 O ATOM 23 CB SER A 3 2.320 5.368 -22.931 1.00 0.00 C ATOM 24 OG SER A 3 2.015 6.161 -24.075 1.00 0.00 O ATOM 0 H SER A 3 2.696 7.519 -20.612 1.00 0.00 H new ATOM 0 HA SER A 3 1.064 6.773 -21.930 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.402 5.275 -22.832 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.925 4.362 -23.072 1.00 0.00 H new ATOM 0 HG SER A 3 2.403 5.746 -24.873 1.00 0.00 H new ATOM 30 N GLY A 4 -0.290 4.726 -21.272 1.00 0.00 N ATOM 31 CA GLY A 4 -1.150 3.749 -20.625 1.00 0.00 C ATOM 32 C GLY A 4 -2.312 4.435 -19.903 1.00 0.00 C ATOM 33 O GLY A 4 -2.187 5.576 -19.463 1.00 0.00 O ATOM 0 H GLY A 4 -0.728 5.240 -22.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.539 3.053 -21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.569 3.163 -19.912 1.00 0.00 H new ATOM 37 N SER A 5 -3.416 3.709 -19.805 1.00 0.00 N ATOM 38 CA SER A 5 -4.600 4.233 -19.144 1.00 0.00 C ATOM 39 C SER A 5 -5.213 3.160 -18.242 1.00 0.00 C ATOM 40 O SER A 5 -5.991 2.327 -18.704 1.00 0.00 O ATOM 41 CB SER A 5 -5.630 4.722 -20.164 1.00 0.00 C ATOM 42 OG SER A 5 -6.695 5.437 -19.546 1.00 0.00 O ATOM 0 H SER A 5 -3.516 2.763 -20.172 1.00 0.00 H new ATOM 0 HA SER A 5 -4.302 5.085 -18.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.139 5.364 -20.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.034 3.869 -20.709 1.00 0.00 H new ATOM 0 HG SER A 5 -7.330 5.734 -20.231 1.00 0.00 H new ATOM 48 N SER A 6 -4.841 3.216 -16.972 1.00 0.00 N ATOM 49 CA SER A 6 -5.345 2.260 -16.001 1.00 0.00 C ATOM 50 C SER A 6 -4.844 2.621 -14.601 1.00 0.00 C ATOM 51 O SER A 6 -3.858 2.059 -14.127 1.00 0.00 O ATOM 52 CB SER A 6 -4.925 0.834 -16.364 1.00 0.00 C ATOM 53 OG SER A 6 -6.049 -0.016 -16.574 1.00 0.00 O ATOM 0 H SER A 6 -4.196 3.909 -16.593 1.00 0.00 H new ATOM 0 HA SER A 6 -6.434 2.304 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.313 0.855 -17.265 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.305 0.425 -15.567 1.00 0.00 H new ATOM 0 HG SER A 6 -5.739 -0.917 -16.805 1.00 0.00 H new ATOM 59 N GLY A 7 -5.545 3.558 -13.980 1.00 0.00 N ATOM 60 CA GLY A 7 -5.184 4.001 -12.644 1.00 0.00 C ATOM 61 C GLY A 7 -6.421 4.114 -11.751 1.00 0.00 C ATOM 62 O GLY A 7 -7.375 4.812 -12.091 1.00 0.00 O ATOM 0 H GLY A 7 -6.361 4.023 -14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.476 3.299 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.682 4.967 -12.700 1.00 0.00 H new ATOM 66 N TYR A 8 -6.364 3.419 -10.625 1.00 0.00 N ATOM 67 CA TYR A 8 -7.468 3.433 -9.680 1.00 0.00 C ATOM 68 C TYR A 8 -7.070 4.139 -8.382 1.00 0.00 C ATOM 69 O TYR A 8 -5.888 4.380 -8.140 1.00 0.00 O ATOM 70 CB TYR A 8 -7.779 1.966 -9.373 1.00 0.00 C ATOM 71 CG TYR A 8 -8.469 1.224 -10.520 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.714 0.640 -11.517 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.846 1.138 -10.556 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.364 -0.059 -12.595 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.495 0.440 -11.635 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.722 -0.124 -12.601 1.00 0.00 C ATOM 77 OH TYR A 8 -10.336 -0.784 -13.620 1.00 0.00 O ATOM 0 H TYR A 8 -5.571 2.842 -10.345 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.324 3.964 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.850 1.452 -9.128 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.414 1.917 -8.488 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.636 0.707 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.436 1.594 -9.775 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.786 -0.521 -13.381 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.572 0.366 -11.676 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.307 -0.751 -13.493 1.00 0.00 H new ATOM 87 N SER A 9 -8.079 4.451 -7.582 1.00 0.00 N ATOM 88 CA SER A 9 -7.849 5.125 -6.316 1.00 0.00 C ATOM 89 C SER A 9 -8.484 4.327 -5.175 1.00 0.00 C ATOM 90 O SER A 9 -9.697 4.123 -5.156 1.00 0.00 O ATOM 91 CB SER A 9 -8.406 6.549 -6.341 1.00 0.00 C ATOM 92 OG SER A 9 -8.582 7.031 -7.671 1.00 0.00 O ATOM 0 H SER A 9 -9.058 4.249 -7.786 1.00 0.00 H new ATOM 0 HA SER A 9 -6.773 5.187 -6.153 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.362 6.574 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.730 7.212 -5.802 1.00 0.00 H new ATOM 0 HG SER A 9 -8.941 7.943 -7.644 1.00 0.00 H new ATOM 98 N VAL A 10 -7.636 3.896 -4.253 1.00 0.00 N ATOM 99 CA VAL A 10 -8.099 3.125 -3.112 1.00 0.00 C ATOM 100 C VAL A 10 -7.609 3.785 -1.822 1.00 0.00 C ATOM 101 O VAL A 10 -6.805 4.715 -1.864 1.00 0.00 O ATOM 102 CB VAL A 10 -7.648 1.669 -3.247 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.130 1.066 -4.569 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.129 1.550 -3.111 1.00 0.00 C ATOM 0 H VAL A 10 -6.630 4.066 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.188 3.113 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.102 1.101 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.796 0.031 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.219 1.100 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.719 1.638 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.836 0.505 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.647 2.139 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.821 1.922 -2.134 1.00 0.00 H new ATOM 114 N THR A 11 -8.113 3.279 -0.707 1.00 0.00 N ATOM 115 CA THR A 11 -7.737 3.808 0.593 1.00 0.00 C ATOM 116 C THR A 11 -6.904 2.783 1.365 1.00 0.00 C ATOM 117 O THR A 11 -7.360 1.668 1.614 1.00 0.00 O ATOM 118 CB THR A 11 -9.015 4.225 1.322 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.266 5.547 0.853 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.801 4.398 2.827 1.00 0.00 C ATOM 0 H THR A 11 -8.779 2.507 -0.677 1.00 0.00 H new ATOM 0 HA THR A 11 -7.101 4.688 0.493 1.00 0.00 H new ATOM 0 HB THR A 11 -9.791 3.479 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.080 5.895 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.739 4.694 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.462 3.456 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.049 5.168 3.001 1.00 0.00 H new ATOM 128 N VAL A 12 -5.698 3.197 1.724 1.00 0.00 N ATOM 129 CA VAL A 12 -4.797 2.329 2.463 1.00 0.00 C ATOM 130 C VAL A 12 -5.030 2.517 3.963 1.00 0.00 C ATOM 131 O VAL A 12 -5.018 3.642 4.460 1.00 0.00 O ATOM 132 CB VAL A 12 -3.350 2.597 2.044 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.369 2.065 3.091 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.058 2.002 0.666 1.00 0.00 C ATOM 0 H VAL A 12 -5.323 4.123 1.517 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.999 1.283 2.231 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.215 3.677 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.348 2.268 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.553 2.558 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.506 0.990 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.023 2.207 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.219 0.924 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.723 2.450 -0.072 1.00 0.00 H new ATOM 144 N LYS A 13 -5.238 1.399 4.642 1.00 0.00 N ATOM 145 CA LYS A 13 -5.474 1.427 6.076 1.00 0.00 C ATOM 146 C LYS A 13 -4.311 0.738 6.793 1.00 0.00 C ATOM 147 O LYS A 13 -4.109 -0.466 6.641 1.00 0.00 O ATOM 148 CB LYS A 13 -6.842 0.827 6.405 1.00 0.00 C ATOM 149 CG LYS A 13 -7.657 1.772 7.290 1.00 0.00 C ATOM 150 CD LYS A 13 -8.297 1.017 8.456 1.00 0.00 C ATOM 151 CE LYS A 13 -9.803 0.850 8.240 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.208 -0.553 8.477 1.00 0.00 N ATOM 0 H LYS A 13 -5.248 0.468 4.226 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.507 2.455 6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.387 0.627 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.711 -0.129 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.012 2.562 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.433 2.254 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.830 0.038 8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.117 1.556 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.348 1.511 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.065 1.144 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.233 -0.649 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.701 -1.177 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.975 -0.821 9.455 1.00 0.00 H new ATOM 166 N TRP A 14 -3.577 1.531 7.559 1.00 0.00 N ATOM 167 CA TRP A 14 -2.440 1.012 8.300 1.00 0.00 C ATOM 168 C TRP A 14 -2.650 1.341 9.780 1.00 0.00 C ATOM 169 O TRP A 14 -2.310 2.434 10.230 1.00 0.00 O ATOM 170 CB TRP A 14 -1.125 1.565 7.746 1.00 0.00 C ATOM 171 CG TRP A 14 0.123 0.883 8.308 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.319 -0.423 8.535 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.350 1.530 8.708 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.576 -0.664 9.050 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.223 0.561 9.159 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.710 2.889 8.690 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.512 0.847 9.625 1.00 0.00 C ATOM 178 CZ3 TRP A 14 3.001 3.159 9.159 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.892 2.195 9.616 1.00 0.00 C ATOM 0 H TRP A 14 -3.747 2.529 7.683 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.370 -0.070 8.190 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.127 1.459 6.661 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.072 2.632 7.962 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.415 -1.191 8.339 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.960 -1.574 9.304 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.043 3.664 8.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.177 0.070 9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.328 4.188 9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.873 2.484 9.963 1.00 0.00 H new ATOM 190 N GLY A 15 -3.209 0.376 10.494 1.00 0.00 N ATOM 191 CA GLY A 15 -3.468 0.549 11.913 1.00 0.00 C ATOM 192 C GLY A 15 -3.908 1.983 12.219 1.00 0.00 C ATOM 193 O GLY A 15 -4.803 2.514 11.564 1.00 0.00 O ATOM 0 H GLY A 15 -3.490 -0.529 10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.242 -0.149 12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.569 0.311 12.482 1.00 0.00 H new ATOM 197 N LYS A 16 -3.257 2.568 13.214 1.00 0.00 N ATOM 198 CA LYS A 16 -3.570 3.929 13.615 1.00 0.00 C ATOM 199 C LYS A 16 -3.422 4.858 12.408 1.00 0.00 C ATOM 200 O LYS A 16 -4.175 5.820 12.265 1.00 0.00 O ATOM 201 CB LYS A 16 -2.718 4.343 14.817 1.00 0.00 C ATOM 202 CG LYS A 16 -3.368 5.501 15.576 1.00 0.00 C ATOM 203 CD LYS A 16 -2.575 5.841 16.840 1.00 0.00 C ATOM 204 CE LYS A 16 -3.506 6.004 18.043 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.534 4.763 18.849 1.00 0.00 N ATOM 0 H LYS A 16 -2.514 2.124 13.754 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.606 3.999 13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.588 3.492 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.724 4.637 14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.424 6.378 14.931 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.391 5.236 15.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.849 5.053 17.041 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.012 6.761 16.684 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.170 6.838 18.660 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.512 6.245 17.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.171 4.891 19.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.876 3.975 18.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.575 4.549 19.191 1.00 0.00 H new ATOM 219 N GLU A 17 -2.447 4.536 11.570 1.00 0.00 N ATOM 220 CA GLU A 17 -2.191 5.330 10.380 1.00 0.00 C ATOM 221 C GLU A 17 -3.324 5.149 9.368 1.00 0.00 C ATOM 222 O GLU A 17 -3.909 4.072 9.271 1.00 0.00 O ATOM 223 CB GLU A 17 -0.840 4.969 9.760 1.00 0.00 C ATOM 224 CG GLU A 17 0.314 5.529 10.596 1.00 0.00 C ATOM 225 CD GLU A 17 0.240 7.055 10.680 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.835 7.701 9.791 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.410 7.540 11.631 1.00 0.00 O ATOM 0 H GLU A 17 -1.825 3.737 11.692 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.152 6.380 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.748 3.885 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.784 5.364 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.281 5.104 11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.265 5.231 10.155 1.00 0.00 H new ATOM 234 N LYS A 18 -3.600 6.221 8.639 1.00 0.00 N ATOM 235 CA LYS A 18 -4.653 6.194 7.638 1.00 0.00 C ATOM 236 C LYS A 18 -4.197 6.976 6.404 1.00 0.00 C ATOM 237 O LYS A 18 -3.565 8.024 6.528 1.00 0.00 O ATOM 238 CB LYS A 18 -5.970 6.696 8.232 1.00 0.00 C ATOM 239 CG LYS A 18 -7.052 6.802 7.156 1.00 0.00 C ATOM 240 CD LYS A 18 -8.422 6.409 7.714 1.00 0.00 C ATOM 241 CE LYS A 18 -8.522 4.895 7.905 1.00 0.00 C ATOM 242 NZ LYS A 18 -9.315 4.576 9.113 1.00 0.00 N ATOM 0 H LYS A 18 -3.113 7.113 8.722 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.846 5.171 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.300 6.018 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.816 7.671 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.090 7.822 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.799 6.156 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.588 6.911 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.205 6.746 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.985 4.442 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.524 4.467 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.373 3.544 9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.857 4.992 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.273 4.967 9.013 1.00 0.00 H new ATOM 256 N PHE A 19 -4.537 6.437 5.243 1.00 0.00 N ATOM 257 CA PHE A 19 -4.170 7.071 3.988 1.00 0.00 C ATOM 258 C PHE A 19 -5.328 7.019 2.989 1.00 0.00 C ATOM 259 O PHE A 19 -5.711 5.943 2.532 1.00 0.00 O ATOM 260 CB PHE A 19 -2.986 6.287 3.419 1.00 0.00 C ATOM 261 CG PHE A 19 -1.805 6.157 4.383 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.884 7.154 4.468 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.677 5.045 5.155 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.212 7.033 5.363 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.581 4.924 6.050 1.00 0.00 C ATOM 266 CZ PHE A 19 0.341 5.921 6.135 1.00 0.00 C ATOM 0 H PHE A 19 -5.063 5.568 5.145 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.919 8.118 4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.325 5.290 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.645 6.776 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.986 8.037 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.409 4.254 5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.944 7.825 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.479 4.041 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.175 5.829 6.815 1.00 0.00 H new ATOM 276 N GLU A 20 -5.853 8.195 2.679 1.00 0.00 N ATOM 277 CA GLU A 20 -6.959 8.298 1.742 1.00 0.00 C ATOM 278 C GLU A 20 -6.543 9.111 0.515 1.00 0.00 C ATOM 279 O GLU A 20 -6.116 10.258 0.641 1.00 0.00 O ATOM 280 CB GLU A 20 -8.191 8.909 2.413 1.00 0.00 C ATOM 281 CG GLU A 20 -8.580 8.123 3.666 1.00 0.00 C ATOM 282 CD GLU A 20 -9.818 8.728 4.331 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.876 8.730 3.666 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.678 9.176 5.490 1.00 0.00 O ATOM 0 H GLU A 20 -5.533 9.085 3.060 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.225 7.293 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.988 9.946 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.025 8.917 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.776 7.084 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.749 8.121 4.371 1.00 0.00 H new ATOM 291 N GLY A 21 -6.681 8.485 -0.645 1.00 0.00 N ATOM 292 CA GLY A 21 -6.324 9.137 -1.894 1.00 0.00 C ATOM 293 C GLY A 21 -4.954 8.666 -2.385 1.00 0.00 C ATOM 294 O GLY A 21 -4.098 9.482 -2.723 1.00 0.00 O ATOM 0 H GLY A 21 -7.035 7.534 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.079 8.922 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.312 10.218 -1.754 1.00 0.00 H new ATOM 298 N VAL A 22 -4.789 7.352 -2.410 1.00 0.00 N ATOM 299 CA VAL A 22 -3.537 6.763 -2.855 1.00 0.00 C ATOM 300 C VAL A 22 -3.613 6.491 -4.359 1.00 0.00 C ATOM 301 O VAL A 22 -4.690 6.229 -4.893 1.00 0.00 O ATOM 302 CB VAL A 22 -3.229 5.509 -2.036 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.930 4.851 -2.507 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.169 5.831 -0.541 1.00 0.00 C ATOM 0 H VAL A 22 -5.501 6.678 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.710 7.454 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.041 4.799 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.735 3.962 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.025 4.569 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.104 5.554 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.949 4.922 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.387 6.568 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.129 6.233 -0.217 1.00 0.00 H new ATOM 314 N GLU A 23 -2.455 6.562 -5.000 1.00 0.00 N ATOM 315 CA GLU A 23 -2.377 6.327 -6.431 1.00 0.00 C ATOM 316 C GLU A 23 -2.059 4.857 -6.711 1.00 0.00 C ATOM 317 O GLU A 23 -0.945 4.400 -6.461 1.00 0.00 O ATOM 318 CB GLU A 23 -1.340 7.245 -7.082 1.00 0.00 C ATOM 319 CG GLU A 23 -1.899 8.656 -7.272 1.00 0.00 C ATOM 320 CD GLU A 23 -1.498 9.226 -8.635 1.00 0.00 C ATOM 321 OE1 GLU A 23 -0.275 9.288 -8.886 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.423 9.587 -9.394 1.00 0.00 O ATOM 0 H GLU A 23 -1.564 6.779 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.347 6.559 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.445 7.285 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.041 6.835 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.986 8.635 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.531 9.307 -6.479 1.00 0.00 H new ATOM 329 N LEU A 24 -3.059 4.156 -7.226 1.00 0.00 N ATOM 330 CA LEU A 24 -2.900 2.747 -7.543 1.00 0.00 C ATOM 331 C LEU A 24 -3.092 2.542 -9.047 1.00 0.00 C ATOM 332 O LEU A 24 -3.881 3.244 -9.677 1.00 0.00 O ATOM 333 CB LEU A 24 -3.835 1.896 -6.681 1.00 0.00 C ATOM 334 CG LEU A 24 -4.227 0.535 -7.260 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.337 -0.576 -6.700 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.713 0.249 -7.032 1.00 0.00 C ATOM 0 H LEU A 24 -3.982 4.538 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.891 2.413 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.358 1.734 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.746 2.466 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.067 0.564 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.637 -1.533 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.297 -0.374 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.442 -0.614 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.965 -0.724 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.923 0.247 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.311 1.020 -7.518 1.00 0.00 H new ATOM 348 N ASN A 25 -2.358 1.576 -9.578 1.00 0.00 N ATOM 349 CA ASN A 25 -2.438 1.269 -10.996 1.00 0.00 C ATOM 350 C ASN A 25 -2.623 -0.239 -11.178 1.00 0.00 C ATOM 351 O ASN A 25 -2.112 -1.030 -10.386 1.00 0.00 O ATOM 352 CB ASN A 25 -1.154 1.678 -11.721 1.00 0.00 C ATOM 353 CG ASN A 25 0.083 1.267 -10.921 1.00 0.00 C ATOM 354 OD1 ASN A 25 0.797 2.088 -10.367 1.00 0.00 O ATOM 355 ND2 ASN A 25 0.297 -0.045 -10.891 1.00 0.00 N ATOM 0 H ASN A 25 -1.705 0.995 -9.052 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.280 1.821 -11.413 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.125 1.213 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.148 2.757 -11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.098 -0.420 -10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.340 -0.677 -11.376 1.00 0.00 H new ATOM 362 N THR A 26 -3.354 -0.591 -12.225 1.00 0.00 N ATOM 363 CA THR A 26 -3.612 -1.990 -12.521 1.00 0.00 C ATOM 364 C THR A 26 -2.813 -2.433 -13.748 1.00 0.00 C ATOM 365 O THR A 26 -2.416 -3.593 -13.849 1.00 0.00 O ATOM 366 CB THR A 26 -5.123 -2.168 -12.684 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.517 -1.062 -13.492 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.882 -1.959 -11.372 1.00 0.00 C ATOM 0 H THR A 26 -3.776 0.068 -12.879 1.00 0.00 H new ATOM 0 HA THR A 26 -3.280 -2.634 -11.706 1.00 0.00 H new ATOM 0 HB THR A 26 -5.332 -3.166 -13.069 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.070 -0.450 -12.962 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.950 -2.097 -11.543 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.537 -2.682 -10.633 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.701 -0.949 -11.004 1.00 0.00 H new ATOM 376 N ASP A 27 -2.600 -1.485 -14.649 1.00 0.00 N ATOM 377 CA ASP A 27 -1.855 -1.763 -15.865 1.00 0.00 C ATOM 378 C ASP A 27 -0.484 -2.335 -15.499 1.00 0.00 C ATOM 379 O ASP A 27 0.119 -3.063 -16.286 1.00 0.00 O ATOM 380 CB ASP A 27 -1.632 -0.486 -16.678 1.00 0.00 C ATOM 381 CG ASP A 27 -1.181 -0.709 -18.123 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.974 -1.890 -18.476 1.00 0.00 O ATOM 383 OD2 ASP A 27 -1.054 0.306 -18.841 1.00 0.00 O ATOM 0 H ASP A 27 -2.930 -0.524 -14.561 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.431 -2.473 -16.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.559 0.087 -16.687 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.885 0.124 -16.170 1.00 0.00 H new ATOM 388 N GLU A 28 -0.032 -1.985 -14.304 1.00 0.00 N ATOM 389 CA GLU A 28 1.256 -2.455 -13.824 1.00 0.00 C ATOM 390 C GLU A 28 1.064 -3.560 -12.783 1.00 0.00 C ATOM 391 O GLU A 28 -0.065 -3.944 -12.481 1.00 0.00 O ATOM 392 CB GLU A 28 2.082 -1.301 -13.252 1.00 0.00 C ATOM 393 CG GLU A 28 1.480 0.050 -13.641 1.00 0.00 C ATOM 394 CD GLU A 28 1.333 0.168 -15.159 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.621 -0.841 -15.837 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.935 1.265 -15.608 1.00 0.00 O ATOM 0 H GLU A 28 -0.535 -1.381 -13.654 1.00 0.00 H new ATOM 0 HA GLU A 28 1.807 -2.870 -14.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.126 -1.384 -12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.106 -1.366 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.505 0.168 -13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.114 0.855 -13.270 1.00 0.00 H new ATOM 403 N PRO A 29 2.213 -4.053 -12.250 1.00 0.00 N ATOM 404 CA PRO A 29 2.182 -5.107 -11.249 1.00 0.00 C ATOM 405 C PRO A 29 1.746 -4.559 -9.889 1.00 0.00 C ATOM 406 O PRO A 29 1.728 -3.347 -9.681 1.00 0.00 O ATOM 407 CB PRO A 29 3.591 -5.677 -11.235 1.00 0.00 C ATOM 408 CG PRO A 29 4.474 -4.625 -11.885 1.00 0.00 C ATOM 409 CD PRO A 29 3.568 -3.623 -12.583 1.00 0.00 C ATOM 0 HA PRO A 29 1.454 -5.885 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.918 -5.885 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.637 -6.618 -11.783 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.089 -4.126 -11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.155 -5.087 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.758 -2.608 -12.235 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.731 -3.626 -13.661 1.00 0.00 H new ATOM 417 N PRO A 30 1.395 -5.503 -8.975 1.00 0.00 N ATOM 418 CA PRO A 30 0.959 -5.127 -7.641 1.00 0.00 C ATOM 419 C PRO A 30 2.145 -4.685 -6.781 1.00 0.00 C ATOM 420 O PRO A 30 1.959 -4.124 -5.702 1.00 0.00 O ATOM 421 CB PRO A 30 0.256 -6.359 -7.095 1.00 0.00 C ATOM 422 CG PRO A 30 0.727 -7.522 -7.953 1.00 0.00 C ATOM 423 CD PRO A 30 1.403 -6.947 -9.187 1.00 0.00 C ATOM 0 HA PRO A 30 0.286 -4.270 -7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.508 -6.520 -6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.827 -6.247 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.421 -8.151 -7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.116 -8.152 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.419 -7.326 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.865 -7.217 -10.095 1.00 0.00 H new ATOM 431 N MET A 31 3.338 -4.956 -7.291 1.00 0.00 N ATOM 432 CA MET A 31 4.554 -4.594 -6.583 1.00 0.00 C ATOM 433 C MET A 31 4.708 -3.074 -6.500 1.00 0.00 C ATOM 434 O MET A 31 5.317 -2.558 -5.564 1.00 0.00 O ATOM 435 CB MET A 31 5.763 -5.190 -7.306 1.00 0.00 C ATOM 436 CG MET A 31 5.538 -6.671 -7.619 1.00 0.00 C ATOM 437 SD MET A 31 7.096 -7.543 -7.596 1.00 0.00 S ATOM 438 CE MET A 31 7.032 -8.248 -5.957 1.00 0.00 C ATOM 0 H MET A 31 3.488 -5.422 -8.186 1.00 0.00 H new ATOM 0 HA MET A 31 4.493 -4.991 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.945 -4.642 -8.231 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.654 -5.076 -6.688 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.857 -7.106 -6.888 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.067 -6.777 -8.596 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.689 -7.686 -5.293 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.010 -8.201 -5.580 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.357 -9.288 -5.995 1.00 0.00 H new ATOM 448 N VAL A 32 4.144 -2.399 -7.491 1.00 0.00 N ATOM 449 CA VAL A 32 4.211 -0.948 -7.542 1.00 0.00 C ATOM 450 C VAL A 32 3.401 -0.364 -6.383 1.00 0.00 C ATOM 451 O VAL A 32 3.940 0.359 -5.546 1.00 0.00 O ATOM 452 CB VAL A 32 3.742 -0.450 -8.910 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.623 1.075 -8.927 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.674 -0.940 -10.021 1.00 0.00 C ATOM 0 H VAL A 32 3.639 -2.830 -8.265 1.00 0.00 H new ATOM 0 HA VAL A 32 5.240 -0.609 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 32 2.752 -0.865 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.288 1.403 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.902 1.392 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.595 1.518 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.318 -0.572 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.682 -0.568 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.686 -2.030 -10.031 1.00 0.00 H new ATOM 464 N PHE A 33 2.119 -0.699 -6.371 1.00 0.00 N ATOM 465 CA PHE A 33 1.229 -0.216 -5.329 1.00 0.00 C ATOM 466 C PHE A 33 1.837 -0.437 -3.943 1.00 0.00 C ATOM 467 O PHE A 33 1.616 0.357 -3.030 1.00 0.00 O ATOM 468 CB PHE A 33 -0.067 -1.022 -5.439 1.00 0.00 C ATOM 469 CG PHE A 33 -1.140 -0.617 -4.426 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.690 0.625 -4.479 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.543 -1.500 -3.473 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.686 1.001 -3.538 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.538 -1.124 -2.533 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.089 0.119 -2.585 1.00 0.00 C ATOM 0 H PHE A 33 1.675 -1.299 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 33 1.055 0.853 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.470 -0.907 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.162 -2.079 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.370 1.326 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.106 -2.487 -3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.123 1.988 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.858 -1.825 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.846 0.405 -1.870 1.00 0.00 H new ATOM 484 N LYS A 34 2.591 -1.521 -3.829 1.00 0.00 N ATOM 485 CA LYS A 34 3.233 -1.856 -2.569 1.00 0.00 C ATOM 486 C LYS A 34 4.518 -1.039 -2.422 1.00 0.00 C ATOM 487 O LYS A 34 4.974 -0.788 -1.308 1.00 0.00 O ATOM 488 CB LYS A 34 3.450 -3.367 -2.464 1.00 0.00 C ATOM 489 CG LYS A 34 2.116 -4.105 -2.335 1.00 0.00 C ATOM 490 CD LYS A 34 2.326 -5.621 -2.330 1.00 0.00 C ATOM 491 CE LYS A 34 1.018 -6.357 -2.626 1.00 0.00 C ATOM 492 NZ LYS A 34 1.019 -7.693 -1.989 1.00 0.00 N ATOM 0 H LYS A 34 2.772 -2.178 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 34 2.589 -1.590 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.983 -3.724 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.077 -3.589 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.615 -3.801 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.462 -3.828 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.075 -5.890 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.713 -5.935 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.174 -5.773 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.888 -6.461 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.501 -8.365 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.999 -8.020 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.558 -7.634 -1.059 1.00 0.00 H new ATOM 506 N ALA A 35 5.065 -0.646 -3.563 1.00 0.00 N ATOM 507 CA ALA A 35 6.288 0.138 -3.576 1.00 0.00 C ATOM 508 C ALA A 35 5.999 1.535 -3.022 1.00 0.00 C ATOM 509 O ALA A 35 6.887 2.184 -2.470 1.00 0.00 O ATOM 510 CB ALA A 35 6.853 0.181 -4.997 1.00 0.00 C ATOM 0 H ALA A 35 4.683 -0.856 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 35 7.044 -0.321 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.771 0.769 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.069 -0.833 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.123 0.637 -5.665 1.00 0.00 H new ATOM 516 N GLN A 36 4.754 1.957 -3.188 1.00 0.00 N ATOM 517 CA GLN A 36 4.337 3.265 -2.711 1.00 0.00 C ATOM 518 C GLN A 36 4.005 3.204 -1.219 1.00 0.00 C ATOM 519 O GLN A 36 4.477 4.032 -0.440 1.00 0.00 O ATOM 520 CB GLN A 36 3.147 3.788 -3.517 1.00 0.00 C ATOM 521 CG GLN A 36 2.452 4.938 -2.785 1.00 0.00 C ATOM 522 CD GLN A 36 2.267 6.144 -3.709 1.00 0.00 C ATOM 523 OE1 GLN A 36 3.126 6.486 -4.505 1.00 0.00 O ATOM 524 NE2 GLN A 36 1.101 6.766 -3.559 1.00 0.00 N ATOM 0 H GLN A 36 4.020 1.416 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 36 5.163 3.962 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.487 4.128 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.436 2.980 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.482 4.606 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.041 5.229 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.426 6.427 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.881 7.582 -4.130 1.00 0.00 H new ATOM 533 N LEU A 37 3.195 2.217 -0.865 1.00 0.00 N ATOM 534 CA LEU A 37 2.795 2.038 0.521 1.00 0.00 C ATOM 535 C LEU A 37 4.025 2.156 1.422 1.00 0.00 C ATOM 536 O LEU A 37 3.917 2.569 2.576 1.00 0.00 O ATOM 537 CB LEU A 37 2.031 0.724 0.692 1.00 0.00 C ATOM 538 CG LEU A 37 0.703 0.617 -0.061 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.319 -0.191 0.742 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.172 2.002 -0.435 1.00 0.00 C ATOM 0 H LEU A 37 2.805 1.533 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 37 2.103 2.824 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.676 -0.093 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.837 0.575 1.754 1.00 0.00 H new ATOM 0 HG LEU A 37 0.880 0.078 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.254 -0.252 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.066 -1.196 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.499 0.298 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.772 1.898 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.014 2.588 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.896 2.509 -1.073 1.00 0.00 H new ATOM 552 N PHE A 38 5.167 1.786 0.862 1.00 0.00 N ATOM 553 CA PHE A 38 6.417 1.845 1.601 1.00 0.00 C ATOM 554 C PHE A 38 6.735 3.280 2.026 1.00 0.00 C ATOM 555 O PHE A 38 7.297 3.504 3.097 1.00 0.00 O ATOM 556 CB PHE A 38 7.517 1.349 0.660 1.00 0.00 C ATOM 557 CG PHE A 38 8.848 1.060 1.357 1.00 0.00 C ATOM 558 CD1 PHE A 38 8.947 1.175 2.709 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.932 0.688 0.625 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.183 0.907 3.355 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.168 0.420 1.272 1.00 0.00 C ATOM 562 CZ PHE A 38 11.267 0.535 2.623 1.00 0.00 C ATOM 0 H PHE A 38 5.253 1.444 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 38 6.346 1.235 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.174 0.441 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.680 2.096 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.086 1.470 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.853 0.596 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.262 0.999 4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.029 0.125 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.207 0.331 3.115 1.00 0.00 H new ATOM 572 N ALA A 39 6.362 4.215 1.165 1.00 0.00 N ATOM 573 CA ALA A 39 6.601 5.622 1.438 1.00 0.00 C ATOM 574 C ALA A 39 5.381 6.213 2.148 1.00 0.00 C ATOM 575 O ALA A 39 5.406 7.366 2.576 1.00 0.00 O ATOM 576 CB ALA A 39 6.923 6.348 0.130 1.00 0.00 C ATOM 0 H ALA A 39 5.896 4.026 0.278 1.00 0.00 H new ATOM 0 HA ALA A 39 7.459 5.745 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.102 7.404 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.813 5.909 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.083 6.249 -0.557 1.00 0.00 H new ATOM 582 N LEU A 40 4.343 5.397 2.251 1.00 0.00 N ATOM 583 CA LEU A 40 3.116 5.825 2.901 1.00 0.00 C ATOM 584 C LEU A 40 3.111 5.327 4.348 1.00 0.00 C ATOM 585 O LEU A 40 2.729 6.059 5.259 1.00 0.00 O ATOM 586 CB LEU A 40 1.897 5.378 2.093 1.00 0.00 C ATOM 587 CG LEU A 40 1.749 6.000 0.702 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.527 5.436 -0.024 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.712 7.527 0.786 1.00 0.00 C ATOM 0 H LEU A 40 4.326 4.441 1.895 1.00 0.00 H new ATOM 0 HA LEU A 40 3.063 6.913 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.937 4.294 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.000 5.607 2.669 1.00 0.00 H new ATOM 0 HG LEU A 40 2.625 5.731 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.445 5.895 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.635 4.357 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.372 5.654 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.606 7.944 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.866 7.837 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.637 7.889 1.234 1.00 0.00 H new ATOM 601 N THR A 41 3.539 4.084 4.514 1.00 0.00 N ATOM 602 CA THR A 41 3.588 3.479 5.834 1.00 0.00 C ATOM 603 C THR A 41 5.032 3.410 6.335 1.00 0.00 C ATOM 604 O THR A 41 5.348 3.930 7.404 1.00 0.00 O ATOM 605 CB THR A 41 2.907 2.112 5.754 1.00 0.00 C ATOM 606 OG1 THR A 41 3.638 1.417 4.747 1.00 0.00 O ATOM 607 CG2 THR A 41 1.487 2.198 5.190 1.00 0.00 C ATOM 0 H THR A 41 3.855 3.479 3.756 1.00 0.00 H new ATOM 0 HA THR A 41 3.051 4.083 6.566 1.00 0.00 H new ATOM 0 HB THR A 41 2.878 1.663 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.016 0.920 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.049 1.201 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.880 2.839 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.520 2.616 4.184 1.00 0.00 H new ATOM 615 N GLY A 42 5.871 2.763 5.539 1.00 0.00 N ATOM 616 CA GLY A 42 7.274 2.618 5.888 1.00 0.00 C ATOM 617 C GLY A 42 7.684 1.144 5.913 1.00 0.00 C ATOM 618 O GLY A 42 8.818 0.818 6.257 1.00 0.00 O ATOM 0 H GLY A 42 5.606 2.333 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.889 3.158 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.458 3.067 6.864 1.00 0.00 H new ATOM 622 N VAL A 43 6.737 0.294 5.544 1.00 0.00 N ATOM 623 CA VAL A 43 6.986 -1.138 5.520 1.00 0.00 C ATOM 624 C VAL A 43 7.313 -1.570 4.089 1.00 0.00 C ATOM 625 O VAL A 43 6.817 -0.981 3.130 1.00 0.00 O ATOM 626 CB VAL A 43 5.790 -1.886 6.112 1.00 0.00 C ATOM 627 CG1 VAL A 43 6.048 -3.394 6.143 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.449 -1.359 7.507 1.00 0.00 C ATOM 0 H VAL A 43 5.797 0.569 5.259 1.00 0.00 H new ATOM 0 HA VAL A 43 7.847 -1.387 6.140 1.00 0.00 H new ATOM 0 HB VAL A 43 4.930 -1.706 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.183 -3.903 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.219 -3.755 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.927 -3.600 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.595 -1.908 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.306 -1.494 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.202 -0.299 7.445 1.00 0.00 H new ATOM 638 N GLN A 44 8.147 -2.595 3.991 1.00 0.00 N ATOM 639 CA GLN A 44 8.547 -3.113 2.694 1.00 0.00 C ATOM 640 C GLN A 44 7.317 -3.544 1.892 1.00 0.00 C ATOM 641 O GLN A 44 6.267 -3.831 2.466 1.00 0.00 O ATOM 642 CB GLN A 44 9.535 -4.271 2.847 1.00 0.00 C ATOM 643 CG GLN A 44 10.887 -3.774 3.362 1.00 0.00 C ATOM 644 CD GLN A 44 10.853 -3.564 4.877 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.827 -3.695 5.525 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.028 -3.232 5.403 1.00 0.00 N ATOM 0 H GLN A 44 8.557 -3.081 4.789 1.00 0.00 H new ATOM 0 HA GLN A 44 9.053 -2.317 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.129 -5.011 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.668 -4.769 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.664 -4.495 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.147 -2.838 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.848 -3.139 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.110 -3.070 6.407 1.00 0.00 H new ATOM 655 N PRO A 45 7.491 -3.577 0.544 1.00 0.00 N ATOM 656 CA PRO A 45 6.408 -3.968 -0.342 1.00 0.00 C ATOM 657 C PRO A 45 6.184 -5.481 -0.299 1.00 0.00 C ATOM 658 O PRO A 45 5.282 -5.997 -0.957 1.00 0.00 O ATOM 659 CB PRO A 45 6.823 -3.467 -1.716 1.00 0.00 C ATOM 660 CG PRO A 45 8.323 -3.229 -1.637 1.00 0.00 C ATOM 661 CD PRO A 45 8.721 -3.244 -0.170 1.00 0.00 C ATOM 0 HA PRO A 45 5.449 -3.539 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.584 -4.199 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.295 -2.549 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.861 -4.001 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.582 -2.274 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.502 -3.980 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.112 -2.276 0.144 1.00 0.00 H new ATOM 669 N ALA A 46 7.020 -6.149 0.481 1.00 0.00 N ATOM 670 CA ALA A 46 6.925 -7.592 0.618 1.00 0.00 C ATOM 671 C ALA A 46 6.230 -7.930 1.939 1.00 0.00 C ATOM 672 O ALA A 46 5.235 -8.653 1.954 1.00 0.00 O ATOM 673 CB ALA A 46 8.322 -8.208 0.520 1.00 0.00 C ATOM 0 H ALA A 46 7.767 -5.717 1.025 1.00 0.00 H new ATOM 0 HA ALA A 46 6.325 -8.015 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.250 -9.291 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.760 -7.964 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.952 -7.809 1.315 1.00 0.00 H new ATOM 679 N ARG A 47 6.783 -7.392 3.016 1.00 0.00 N ATOM 680 CA ARG A 47 6.229 -7.627 4.338 1.00 0.00 C ATOM 681 C ARG A 47 4.844 -6.988 4.455 1.00 0.00 C ATOM 682 O ARG A 47 4.043 -7.382 5.302 1.00 0.00 O ATOM 683 CB ARG A 47 7.140 -7.056 5.427 1.00 0.00 C ATOM 684 CG ARG A 47 8.313 -7.997 5.709 1.00 0.00 C ATOM 685 CD ARG A 47 9.421 -7.818 4.669 1.00 0.00 C ATOM 686 NE ARG A 47 9.513 -9.024 3.816 1.00 0.00 N ATOM 687 CZ ARG A 47 9.984 -10.207 4.235 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.407 -10.350 5.498 1.00 0.00 N ATOM 689 NH2 ARG A 47 10.031 -11.246 3.391 1.00 0.00 N ATOM 0 H ARG A 47 7.609 -6.794 3.000 1.00 0.00 H new ATOM 0 HA ARG A 47 6.148 -8.705 4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.517 -6.082 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.567 -6.900 6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.709 -7.802 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.965 -9.030 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.216 -6.942 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.374 -7.641 5.167 1.00 0.00 H new ATOM 0 HE ARG A 47 9.198 -8.950 2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.371 -9.559 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.765 -11.250 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.708 -11.137 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.389 -12.146 3.710 1.00 0.00 H new ATOM 703 N GLN A 48 4.603 -6.011 3.592 1.00 0.00 N ATOM 704 CA GLN A 48 3.329 -5.314 3.588 1.00 0.00 C ATOM 705 C GLN A 48 2.224 -6.229 3.057 1.00 0.00 C ATOM 706 O GLN A 48 2.033 -6.341 1.847 1.00 0.00 O ATOM 707 CB GLN A 48 3.412 -4.024 2.769 1.00 0.00 C ATOM 708 CG GLN A 48 3.895 -2.857 3.632 1.00 0.00 C ATOM 709 CD GLN A 48 3.903 -1.551 2.834 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.238 -0.584 3.169 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.691 -1.577 1.763 1.00 0.00 N ATOM 0 H GLN A 48 5.269 -5.686 2.891 1.00 0.00 H new ATOM 0 HA GLN A 48 3.085 -5.040 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.092 -4.165 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.433 -3.791 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.248 -2.751 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.898 -3.066 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.221 -2.420 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.766 -0.754 1.165 1.00 0.00 H new ATOM 720 N LYS A 49 1.525 -6.861 3.988 1.00 0.00 N ATOM 721 CA LYS A 49 0.444 -7.764 3.629 1.00 0.00 C ATOM 722 C LYS A 49 -0.755 -6.948 3.140 1.00 0.00 C ATOM 723 O LYS A 49 -1.587 -6.521 3.940 1.00 0.00 O ATOM 724 CB LYS A 49 0.117 -8.699 4.795 1.00 0.00 C ATOM 725 CG LYS A 49 -0.675 -9.917 4.315 1.00 0.00 C ATOM 726 CD LYS A 49 -1.468 -10.543 5.465 1.00 0.00 C ATOM 727 CE LYS A 49 -2.057 -11.893 5.053 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.050 -12.832 6.197 1.00 0.00 N ATOM 0 H LYS A 49 1.686 -6.766 4.991 1.00 0.00 H new ATOM 0 HA LYS A 49 0.746 -8.412 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.040 -9.026 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.458 -8.160 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.356 -9.621 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.007 -10.656 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.818 -10.674 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.270 -9.869 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.077 -11.757 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.481 -12.311 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.453 -13.744 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.073 -12.975 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.619 -12.438 6.973 1.00 0.00 H new ATOM 742 N VAL A 50 -0.805 -6.756 1.830 1.00 0.00 N ATOM 743 CA VAL A 50 -1.888 -5.999 1.226 1.00 0.00 C ATOM 744 C VAL A 50 -3.099 -6.914 1.034 1.00 0.00 C ATOM 745 O VAL A 50 -3.121 -7.737 0.119 1.00 0.00 O ATOM 746 CB VAL A 50 -1.412 -5.355 -0.078 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.534 -4.545 -0.730 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.175 -4.486 0.159 1.00 0.00 C ATOM 0 H VAL A 50 -0.113 -7.112 1.170 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.197 -5.185 1.881 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.133 -6.154 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.170 -4.098 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.375 -5.202 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.857 -3.758 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.143 -4.040 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.416 -3.696 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.631 -5.101 0.559 1.00 0.00 H new ATOM 758 N MET A 51 -4.077 -6.741 1.910 1.00 0.00 N ATOM 759 CA MET A 51 -5.288 -7.541 1.848 1.00 0.00 C ATOM 760 C MET A 51 -6.207 -7.058 0.725 1.00 0.00 C ATOM 761 O MET A 51 -5.966 -6.010 0.128 1.00 0.00 O ATOM 762 CB MET A 51 -6.027 -7.454 3.185 1.00 0.00 C ATOM 763 CG MET A 51 -5.604 -8.589 4.120 1.00 0.00 C ATOM 764 SD MET A 51 -6.990 -9.669 4.435 1.00 0.00 S ATOM 765 CE MET A 51 -7.210 -10.373 2.809 1.00 0.00 C ATOM 0 H MET A 51 -4.056 -6.058 2.667 1.00 0.00 H new ATOM 0 HA MET A 51 -5.008 -8.574 1.644 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.821 -6.493 3.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.102 -7.501 3.014 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.786 -9.154 3.673 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.232 -8.178 5.059 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.425 -11.438 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.041 -9.877 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.299 -10.235 2.226 1.00 0.00 H new ATOM 775 N VAL A 52 -7.242 -7.846 0.470 1.00 0.00 N ATOM 776 CA VAL A 52 -8.198 -7.512 -0.572 1.00 0.00 C ATOM 777 C VAL A 52 -9.617 -7.745 -0.049 1.00 0.00 C ATOM 778 O VAL A 52 -9.821 -8.530 0.876 1.00 0.00 O ATOM 779 CB VAL A 52 -7.890 -8.310 -1.840 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.723 -7.806 -3.021 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.396 -8.268 -2.166 1.00 0.00 C ATOM 0 H VAL A 52 -7.439 -8.715 0.967 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.119 -6.458 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.163 -9.349 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.485 -8.390 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.783 -7.912 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.495 -6.756 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.205 -8.843 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.086 -7.234 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.831 -8.696 -1.338 1.00 0.00 H new ATOM 791 N LYS A 53 -10.561 -7.048 -0.663 1.00 0.00 N ATOM 792 CA LYS A 53 -11.955 -7.169 -0.271 1.00 0.00 C ATOM 793 C LYS A 53 -12.227 -8.600 0.195 1.00 0.00 C ATOM 794 O LYS A 53 -12.938 -8.813 1.177 1.00 0.00 O ATOM 795 CB LYS A 53 -12.873 -6.707 -1.405 1.00 0.00 C ATOM 796 CG LYS A 53 -12.746 -5.199 -1.633 1.00 0.00 C ATOM 797 CD LYS A 53 -13.965 -4.653 -2.379 1.00 0.00 C ATOM 798 CE LYS A 53 -14.689 -3.594 -1.545 1.00 0.00 C ATOM 799 NZ LYS A 53 -16.156 -3.756 -1.662 1.00 0.00 N ATOM 0 H LYS A 53 -10.388 -6.397 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.172 -6.512 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.621 -7.240 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.907 -6.957 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.644 -4.690 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.842 -4.989 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.651 -4.221 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.649 -5.469 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.390 -3.678 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.399 -2.598 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.632 -3.030 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.438 -3.653 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.429 -4.700 -1.321 1.00 0.00 H new ATOM 813 N GLY A 54 -11.648 -9.545 -0.530 1.00 0.00 N ATOM 814 CA GLY A 54 -11.818 -10.951 -0.203 1.00 0.00 C ATOM 815 C GLY A 54 -10.683 -11.792 -0.790 1.00 0.00 C ATOM 816 O GLY A 54 -10.923 -12.860 -1.350 1.00 0.00 O ATOM 0 H GLY A 54 -11.060 -9.365 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.845 -11.075 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.774 -11.305 -0.589 1.00 0.00 H new ATOM 820 N GLY A 55 -9.471 -11.279 -0.641 1.00 0.00 N ATOM 821 CA GLY A 55 -8.298 -11.969 -1.149 1.00 0.00 C ATOM 822 C GLY A 55 -7.016 -11.225 -0.770 1.00 0.00 C ATOM 823 O GLY A 55 -7.048 -10.300 0.040 1.00 0.00 O ATOM 0 H GLY A 55 -9.276 -10.393 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.266 -12.982 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.365 -12.057 -2.233 1.00 0.00 H new ATOM 827 N THR A 56 -5.919 -11.655 -1.376 1.00 0.00 N ATOM 828 CA THR A 56 -4.629 -11.041 -1.112 1.00 0.00 C ATOM 829 C THR A 56 -4.010 -10.523 -2.412 1.00 0.00 C ATOM 830 O THR A 56 -4.207 -11.110 -3.475 1.00 0.00 O ATOM 831 CB THR A 56 -3.755 -12.067 -0.390 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.493 -12.384 0.788 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.454 -11.460 0.139 1.00 0.00 C ATOM 0 H THR A 56 -5.897 -12.421 -2.049 1.00 0.00 H new ATOM 0 HA THR A 56 -4.731 -10.169 -0.466 1.00 0.00 H new ATOM 0 HB THR A 56 -3.523 -12.887 -1.069 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.999 -13.046 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.871 -12.231 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.877 -11.054 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.685 -10.662 0.844 1.00 0.00 H new ATOM 841 N LEU A 57 -3.273 -9.429 -2.285 1.00 0.00 N ATOM 842 CA LEU A 57 -2.623 -8.826 -3.436 1.00 0.00 C ATOM 843 C LEU A 57 -1.425 -9.684 -3.847 1.00 0.00 C ATOM 844 O LEU A 57 -0.619 -10.076 -3.005 1.00 0.00 O ATOM 845 CB LEU A 57 -2.265 -7.367 -3.146 1.00 0.00 C ATOM 846 CG LEU A 57 -2.756 -6.340 -4.167 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.952 -5.042 -4.070 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.737 -6.921 -5.583 1.00 0.00 C ATOM 0 H LEU A 57 -3.112 -8.945 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.303 -8.799 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.670 -7.101 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.180 -7.287 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.792 -6.095 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.322 -4.329 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.061 -4.620 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.900 -5.251 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.091 -6.170 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.719 -7.213 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.387 -7.795 -5.627 1.00 0.00 H new ATOM 860 N LYS A 58 -1.345 -9.950 -5.143 1.00 0.00 N ATOM 861 CA LYS A 58 -0.258 -10.753 -5.676 1.00 0.00 C ATOM 862 C LYS A 58 1.012 -9.903 -5.748 1.00 0.00 C ATOM 863 O LYS A 58 1.039 -8.779 -5.251 1.00 0.00 O ATOM 864 CB LYS A 58 -0.659 -11.375 -7.016 1.00 0.00 C ATOM 865 CG LYS A 58 -1.506 -12.631 -6.806 1.00 0.00 C ATOM 866 CD LYS A 58 -1.622 -13.437 -8.102 1.00 0.00 C ATOM 867 CE LYS A 58 -3.057 -13.920 -8.320 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.188 -15.345 -7.942 1.00 0.00 N ATOM 0 H LYS A 58 -2.015 -9.624 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.043 -11.591 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.219 -10.649 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.235 -11.626 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.059 -13.249 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.500 -12.350 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.309 -12.822 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.948 -14.293 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.744 -13.316 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.337 -13.788 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.168 -15.656 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.546 -15.919 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.941 -15.462 -6.938 1.00 0.00 H new ATOM 882 N ASP A 59 2.033 -10.473 -6.371 1.00 0.00 N ATOM 883 CA ASP A 59 3.303 -9.782 -6.514 1.00 0.00 C ATOM 884 C ASP A 59 3.726 -9.802 -7.984 1.00 0.00 C ATOM 885 O ASP A 59 4.142 -8.780 -8.528 1.00 0.00 O ATOM 886 CB ASP A 59 4.399 -10.468 -5.697 1.00 0.00 C ATOM 887 CG ASP A 59 4.460 -11.990 -5.846 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.579 -12.653 -5.257 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.386 -12.455 -6.545 1.00 0.00 O ATOM 0 H ASP A 59 2.006 -11.406 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 59 3.173 -8.761 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.363 -10.051 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.252 -10.227 -4.644 1.00 0.00 H new ATOM 894 N ASP A 60 3.607 -10.976 -8.586 1.00 0.00 N ATOM 895 CA ASP A 60 3.972 -11.143 -9.982 1.00 0.00 C ATOM 896 C ASP A 60 3.061 -10.272 -10.850 1.00 0.00 C ATOM 897 O ASP A 60 3.540 -9.429 -11.608 1.00 0.00 O ATOM 898 CB ASP A 60 3.800 -12.597 -10.427 1.00 0.00 C ATOM 899 CG ASP A 60 4.853 -13.567 -9.887 1.00 0.00 C ATOM 900 OD1 ASP A 60 6.004 -13.113 -9.706 1.00 0.00 O ATOM 901 OD2 ASP A 60 4.483 -14.740 -9.666 1.00 0.00 O ATOM 0 H ASP A 60 3.262 -11.822 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 60 5.017 -10.853 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.815 -12.943 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.819 -12.633 -11.516 1.00 0.00 H new ATOM 906 N ASP A 61 1.765 -10.506 -10.712 1.00 0.00 N ATOM 907 CA ASP A 61 0.783 -9.754 -11.474 1.00 0.00 C ATOM 908 C ASP A 61 -0.576 -9.845 -10.777 1.00 0.00 C ATOM 909 O ASP A 61 -0.806 -10.745 -9.971 1.00 0.00 O ATOM 910 CB ASP A 61 0.628 -10.322 -12.886 1.00 0.00 C ATOM 911 CG ASP A 61 1.922 -10.389 -13.701 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.746 -11.273 -13.385 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.056 -9.554 -14.621 1.00 0.00 O ATOM 0 H ASP A 61 1.372 -11.206 -10.083 1.00 0.00 H new ATOM 0 HA ASP A 61 1.125 -8.721 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.209 -11.326 -12.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.095 -9.713 -13.429 1.00 0.00 H new ATOM 918 N TRP A 62 -1.442 -8.900 -11.113 1.00 0.00 N ATOM 919 CA TRP A 62 -2.772 -8.862 -10.529 1.00 0.00 C ATOM 920 C TRP A 62 -3.538 -10.094 -11.016 1.00 0.00 C ATOM 921 O TRP A 62 -3.975 -10.915 -10.212 1.00 0.00 O ATOM 922 CB TRP A 62 -3.481 -7.548 -10.864 1.00 0.00 C ATOM 923 CG TRP A 62 -2.790 -6.306 -10.295 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.679 -5.704 -10.740 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.214 -5.535 -9.151 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.356 -4.606 -9.969 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.319 -4.500 -8.972 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.316 -5.707 -8.296 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.435 -3.555 -7.945 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.418 -4.755 -7.274 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.526 -3.707 -7.081 1.00 0.00 C ATOM 0 H TRP A 62 -1.249 -8.155 -11.782 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.716 -8.894 -9.441 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.549 -7.449 -11.947 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.501 -7.590 -10.483 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.108 -6.036 -11.594 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.558 -3.986 -10.106 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.028 -6.510 -8.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.722 -2.753 -7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.248 -4.841 -6.588 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.674 -3.012 -6.267 1.00 0.00 H new ATOM 942 N GLY A 63 -3.676 -10.184 -12.331 1.00 0.00 N ATOM 943 CA GLY A 63 -4.380 -11.302 -12.934 1.00 0.00 C ATOM 944 C GLY A 63 -5.843 -10.946 -13.206 1.00 0.00 C ATOM 945 O GLY A 63 -6.750 -11.649 -12.761 1.00 0.00 O ATOM 0 H GLY A 63 -3.312 -9.501 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.891 -11.584 -13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.329 -12.167 -12.273 1.00 0.00 H new ATOM 949 N ASN A 64 -6.028 -9.855 -13.934 1.00 0.00 N ATOM 950 CA ASN A 64 -7.366 -9.397 -14.269 1.00 0.00 C ATOM 951 C ASN A 64 -8.219 -9.353 -13.000 1.00 0.00 C ATOM 952 O ASN A 64 -9.351 -9.834 -12.991 1.00 0.00 O ATOM 953 CB ASN A 64 -8.041 -10.347 -15.260 1.00 0.00 C ATOM 954 CG ASN A 64 -9.032 -9.597 -16.152 1.00 0.00 C ATOM 955 OD1 ASN A 64 -8.662 -8.835 -17.030 1.00 0.00 O ATOM 956 ND2 ASN A 64 -10.308 -9.854 -15.878 1.00 0.00 N ATOM 0 H ASN A 64 -5.274 -9.275 -14.301 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.281 -8.408 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.285 -10.831 -15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.561 -11.136 -14.716 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.046 -9.402 -16.417 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.548 -10.503 -15.129 1.00 0.00 H new ATOM 963 N ILE A 65 -7.643 -8.772 -11.958 1.00 0.00 N ATOM 964 CA ILE A 65 -8.336 -8.660 -10.685 1.00 0.00 C ATOM 965 C ILE A 65 -9.432 -7.599 -10.799 1.00 0.00 C ATOM 966 O ILE A 65 -9.279 -6.618 -11.526 1.00 0.00 O ATOM 967 CB ILE A 65 -7.340 -8.396 -9.554 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.393 -9.584 -9.370 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.067 -8.035 -8.257 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.320 -9.272 -8.324 1.00 0.00 C ATOM 0 H ILE A 65 -6.704 -8.374 -11.969 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.826 -9.601 -10.434 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.729 -7.537 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.961 -10.462 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.919 -9.827 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.336 -7.852 -7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.665 -7.137 -8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.718 -8.858 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.660 -10.132 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.739 -8.408 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.796 -9.053 -7.368 1.00 0.00 H new ATOM 982 N LYS A 66 -10.514 -7.831 -10.071 1.00 0.00 N ATOM 983 CA LYS A 66 -11.636 -6.907 -10.081 1.00 0.00 C ATOM 984 C LYS A 66 -11.346 -5.750 -9.124 1.00 0.00 C ATOM 985 O LYS A 66 -11.678 -5.819 -7.941 1.00 0.00 O ATOM 986 CB LYS A 66 -12.941 -7.646 -9.776 1.00 0.00 C ATOM 987 CG LYS A 66 -13.741 -7.897 -11.056 1.00 0.00 C ATOM 988 CD LYS A 66 -14.916 -6.924 -11.167 1.00 0.00 C ATOM 989 CE LYS A 66 -15.327 -6.726 -12.628 1.00 0.00 C ATOM 990 NZ LYS A 66 -14.773 -5.459 -13.154 1.00 0.00 N ATOM 0 H LYS A 66 -10.638 -8.646 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.766 -6.475 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.720 -8.596 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.540 -7.061 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.090 -7.787 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.111 -8.922 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.763 -7.304 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.641 -5.964 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.971 -7.563 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.414 -6.716 -12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.061 -5.340 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.133 -4.662 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.735 -5.483 -13.095 1.00 0.00 H new ATOM 1004 N MET A 67 -10.729 -4.712 -9.670 1.00 0.00 N ATOM 1005 CA MET A 67 -10.391 -3.541 -8.880 1.00 0.00 C ATOM 1006 C MET A 67 -11.423 -2.429 -9.077 1.00 0.00 C ATOM 1007 O MET A 67 -12.177 -2.442 -10.049 1.00 0.00 O ATOM 1008 CB MET A 67 -9.007 -3.031 -9.288 1.00 0.00 C ATOM 1009 CG MET A 67 -7.903 -3.911 -8.697 1.00 0.00 C ATOM 1010 SD MET A 67 -6.613 -2.890 -8.006 1.00 0.00 S ATOM 1011 CE MET A 67 -6.927 -3.128 -6.265 1.00 0.00 C ATOM 0 H MET A 67 -10.454 -4.658 -10.651 1.00 0.00 H new ATOM 0 HA MET A 67 -10.388 -3.825 -7.828 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.925 -3.020 -10.375 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.879 -2.003 -8.948 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.318 -4.559 -7.925 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.490 -4.559 -9.470 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.067 -2.785 -5.690 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.809 -2.558 -5.973 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.097 -4.186 -6.067 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.424 -1.493 -8.140 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.351 -0.376 -8.199 1.00 0.00 C ATOM 1023 C LYS A 68 -11.780 0.799 -7.402 1.00 0.00 C ATOM 1024 O LYS A 68 -11.016 0.600 -6.459 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.745 -0.811 -7.740 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.690 -1.443 -6.348 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.165 -2.897 -6.387 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.486 -3.064 -5.634 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.626 -2.680 -6.496 1.00 0.00 N ATOM 0 H LYS A 68 -10.797 -1.485 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.471 -0.035 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.413 0.050 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.160 -1.525 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.670 -1.400 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.313 -0.871 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.290 -3.215 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.406 -3.543 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.599 -4.099 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.479 -2.448 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.515 -2.799 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.524 -1.686 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.641 -3.285 -7.342 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.173 1.996 -7.810 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.709 3.203 -7.145 1.00 0.00 C ATOM 1045 C ASN A 69 -12.704 3.590 -6.049 1.00 0.00 C ATOM 1046 O ASN A 69 -13.872 3.856 -6.331 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.611 4.370 -8.129 1.00 0.00 C ATOM 1048 CG ASN A 69 -12.855 4.445 -9.017 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.756 5.239 -8.801 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -12.853 3.577 -10.024 1.00 0.00 N ATOM 0 H ASN A 69 -12.807 2.157 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.723 3.001 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.495 5.304 -7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.723 4.253 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.639 3.548 -10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.066 2.940 -10.147 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.205 3.610 -4.822 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.036 3.961 -3.682 1.00 0.00 C ATOM 1059 C GLY A 70 -12.928 2.906 -2.580 1.00 0.00 C ATOM 1060 O GLY A 70 -13.067 3.220 -1.399 1.00 0.00 O ATOM 0 H GLY A 70 -11.236 3.389 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.733 4.932 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.074 4.055 -4.000 1.00 0.00 H new ATOM 1064 N MET A 71 -12.681 1.675 -3.005 1.00 0.00 N ATOM 1065 CA MET A 71 -12.553 0.571 -2.069 1.00 0.00 C ATOM 1066 C MET A 71 -11.543 0.901 -0.968 1.00 0.00 C ATOM 1067 O MET A 71 -11.053 2.026 -0.886 1.00 0.00 O ATOM 1068 CB MET A 71 -12.101 -0.684 -2.818 1.00 0.00 C ATOM 1069 CG MET A 71 -10.718 -0.483 -3.439 1.00 0.00 C ATOM 1070 SD MET A 71 -9.619 -1.789 -2.917 1.00 0.00 S ATOM 1071 CE MET A 71 -10.469 -3.202 -3.599 1.00 0.00 C ATOM 0 H MET A 71 -12.566 1.418 -3.985 1.00 0.00 H new ATOM 0 HA MET A 71 -13.524 0.397 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.076 -1.532 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.822 -0.926 -3.598 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.796 -0.475 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.314 0.484 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.952 -4.115 -3.303 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.492 -3.227 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.482 -3.129 -4.686 1.00 0.00 H new ATOM 1081 N THR A 72 -11.263 -0.102 -0.148 1.00 0.00 N ATOM 1082 CA THR A 72 -10.320 0.067 0.945 1.00 0.00 C ATOM 1083 C THR A 72 -9.285 -1.059 0.935 1.00 0.00 C ATOM 1084 O THR A 72 -9.627 -2.219 0.710 1.00 0.00 O ATOM 1085 CB THR A 72 -11.117 0.149 2.249 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.342 1.544 2.431 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.287 -0.257 3.468 1.00 0.00 C ATOM 0 H THR A 72 -11.672 -1.034 -0.219 1.00 0.00 H new ATOM 0 HA THR A 72 -9.751 0.990 0.837 1.00 0.00 H new ATOM 0 HB THR A 72 -11.996 -0.492 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.855 1.688 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.899 -0.181 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.944 -1.285 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.426 0.405 3.559 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.040 -0.678 1.182 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.953 -1.642 1.204 1.00 0.00 C ATOM 1097 C VAL A 73 -6.396 -1.742 2.626 1.00 0.00 C ATOM 1098 O VAL A 73 -5.978 -0.741 3.205 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.892 -1.258 0.172 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.595 -2.036 0.403 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.410 -1.468 -1.252 1.00 0.00 C ATOM 0 H VAL A 73 -7.760 0.285 1.369 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.314 -2.632 0.925 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.674 -0.197 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.857 -1.744 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.210 -1.814 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.792 -3.105 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.636 -1.187 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.671 -2.517 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.293 -0.850 -1.413 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.407 -2.961 3.147 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.907 -3.205 4.489 1.00 0.00 C ATOM 1113 C LEU A 74 -4.460 -3.695 4.409 1.00 0.00 C ATOM 1114 O LEU A 74 -4.146 -4.586 3.622 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.839 -4.157 5.242 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.771 -4.093 6.770 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.418 -4.593 7.280 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.090 -2.685 7.274 1.00 0.00 C ATOM 0 H LEU A 74 -6.754 -3.789 2.664 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.898 -2.281 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.864 -3.949 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.613 -5.177 4.930 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.533 -4.759 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.396 -4.537 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.270 -5.627 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.622 -3.972 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.035 -2.667 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.369 -1.979 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.094 -2.404 6.957 1.00 0.00 H new ATOM 1130 N MET A 75 -3.618 -3.091 5.235 1.00 0.00 N ATOM 1131 CA MET A 75 -2.212 -3.455 5.268 1.00 0.00 C ATOM 1132 C MET A 75 -1.808 -3.958 6.655 1.00 0.00 C ATOM 1133 O MET A 75 -2.343 -3.503 7.665 1.00 0.00 O ATOM 1134 CB MET A 75 -1.361 -2.239 4.897 1.00 0.00 C ATOM 1135 CG MET A 75 0.071 -2.656 4.554 1.00 0.00 C ATOM 1136 SD MET A 75 1.109 -2.520 6.000 1.00 0.00 S ATOM 1137 CE MET A 75 1.912 -0.963 5.659 1.00 0.00 C ATOM 0 H MET A 75 -3.883 -2.352 5.886 1.00 0.00 H new ATOM 0 HA MET A 75 -2.047 -4.258 4.549 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.807 -1.724 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.349 -1.532 5.727 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.081 -3.681 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.461 -2.025 3.755 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.990 -1.114 5.602 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.550 -0.567 4.710 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.687 -0.255 6.457 1.00 0.00 H new ATOM 1147 N MET A 76 -0.866 -4.890 6.661 1.00 0.00 N ATOM 1148 CA MET A 76 -0.383 -5.459 7.908 1.00 0.00 C ATOM 1149 C MET A 76 1.122 -5.723 7.844 1.00 0.00 C ATOM 1150 O MET A 76 1.586 -6.490 7.001 1.00 0.00 O ATOM 1151 CB MET A 76 -1.121 -6.770 8.190 1.00 0.00 C ATOM 1152 CG MET A 76 -2.529 -6.503 8.724 1.00 0.00 C ATOM 1153 SD MET A 76 -2.603 -6.877 10.467 1.00 0.00 S ATOM 1154 CE MET A 76 -2.734 -5.226 11.134 1.00 0.00 C ATOM 0 H MET A 76 -0.424 -5.265 5.822 1.00 0.00 H new ATOM 0 HA MET A 76 -0.573 -4.745 8.709 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.181 -7.361 7.276 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.559 -7.359 8.915 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.799 -5.460 8.556 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.253 -7.111 8.182 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.791 -5.276 12.221 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.859 -4.645 10.843 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.633 -4.747 10.746 1.00 0.00 H new ATOM 1164 N GLY A 77 1.844 -5.073 8.745 1.00 0.00 N ATOM 1165 CA GLY A 77 3.287 -5.229 8.802 1.00 0.00 C ATOM 1166 C GLY A 77 3.922 -4.140 9.670 1.00 0.00 C ATOM 1167 O GLY A 77 3.283 -3.136 9.979 1.00 0.00 O ATOM 0 H GLY A 77 1.456 -4.437 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.535 -6.211 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.701 -5.184 7.795 1.00 0.00 H new ATOM 1171 N SER A 78 5.172 -4.377 10.039 1.00 0.00 N ATOM 1172 CA SER A 78 5.901 -3.430 10.866 1.00 0.00 C ATOM 1173 C SER A 78 7.299 -3.201 10.290 1.00 0.00 C ATOM 1174 O SER A 78 7.919 -4.126 9.767 1.00 0.00 O ATOM 1175 CB SER A 78 5.996 -3.920 12.312 1.00 0.00 C ATOM 1176 OG SER A 78 5.241 -3.104 13.203 1.00 0.00 O ATOM 0 H SER A 78 5.699 -5.211 9.781 1.00 0.00 H new ATOM 0 HA SER A 78 5.356 -2.486 10.866 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.638 -4.948 12.371 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.040 -3.928 12.624 1.00 0.00 H new ATOM 0 HG SER A 78 5.326 -3.451 14.116 1.00 0.00 H new ATOM 1182 N ALA A 79 7.757 -1.963 10.407 1.00 0.00 N ATOM 1183 CA ALA A 79 9.071 -1.600 9.904 1.00 0.00 C ATOM 1184 C ALA A 79 10.102 -1.763 11.023 1.00 0.00 C ATOM 1185 O ALA A 79 10.359 -0.825 11.777 1.00 0.00 O ATOM 1186 CB ALA A 79 9.031 -0.174 9.351 1.00 0.00 C ATOM 0 H ALA A 79 7.241 -1.199 10.843 1.00 0.00 H new ATOM 0 HA ALA A 79 9.364 -2.258 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.017 0.098 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.304 -0.118 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.743 0.516 10.144 1.00 0.00 H new ATOM 1192 N ASP A 80 10.666 -2.959 11.095 1.00 0.00 N ATOM 1193 CA ASP A 80 11.664 -3.257 12.108 1.00 0.00 C ATOM 1194 C ASP A 80 12.978 -2.564 11.743 1.00 0.00 C ATOM 1195 O ASP A 80 13.549 -2.825 10.685 1.00 0.00 O ATOM 1196 CB ASP A 80 11.931 -4.761 12.194 1.00 0.00 C ATOM 1197 CG ASP A 80 10.919 -5.551 13.027 1.00 0.00 C ATOM 1198 OD1 ASP A 80 10.638 -5.097 14.158 1.00 0.00 O ATOM 1199 OD2 ASP A 80 10.450 -6.590 12.515 1.00 0.00 O ATOM 0 H ASP A 80 10.451 -3.734 10.468 1.00 0.00 H new ATOM 0 HA ASP A 80 11.286 -2.903 13.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.946 -5.170 11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.925 -4.915 12.615 1.00 0.00 H new ATOM 1204 N ALA A 81 13.420 -1.693 12.639 1.00 0.00 N ATOM 1205 CA ALA A 81 14.656 -0.961 12.424 1.00 0.00 C ATOM 1206 C ALA A 81 15.061 -0.260 13.723 1.00 0.00 C ATOM 1207 O ALA A 81 14.230 -0.053 14.605 1.00 0.00 O ATOM 1208 CB ALA A 81 14.473 0.021 11.265 1.00 0.00 C ATOM 0 H ALA A 81 12.944 -1.478 13.515 1.00 0.00 H new ATOM 0 HA ALA A 81 15.462 -1.642 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.401 0.570 11.104 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.215 -0.529 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.673 0.722 11.505 1.00 0.00 H new ATOM 1214 N LEU A 82 16.338 0.085 13.798 1.00 0.00 N ATOM 1215 CA LEU A 82 16.863 0.758 14.974 1.00 0.00 C ATOM 1216 C LEU A 82 16.218 2.139 15.097 1.00 0.00 C ATOM 1217 O LEU A 82 15.869 2.757 14.092 1.00 0.00 O ATOM 1218 CB LEU A 82 18.392 0.795 14.932 1.00 0.00 C ATOM 1219 CG LEU A 82 19.107 -0.473 15.405 1.00 0.00 C ATOM 1220 CD1 LEU A 82 19.863 -1.138 14.253 1.00 0.00 C ATOM 1221 CD2 LEU A 82 20.022 -0.175 16.595 1.00 0.00 C ATOM 0 H LEU A 82 17.024 -0.089 13.064 1.00 0.00 H new ATOM 0 HA LEU A 82 16.605 0.204 15.877 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.703 1.003 13.908 1.00 0.00 H new ATOM 0 HB3 LEU A 82 18.732 1.630 15.544 1.00 0.00 H new ATOM 0 HG LEU A 82 18.354 -1.182 15.748 1.00 0.00 H new ATOM 0 HD11 LEU A 82 20.362 -2.036 14.616 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.161 -1.407 13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.606 -0.445 13.857 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.518 -1.093 16.911 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.772 0.560 16.302 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.429 0.220 17.420 1.00 0.00 H new ATOM 1233 N PRO A 83 16.075 2.596 16.370 1.00 0.00 N ATOM 1234 CA PRO A 83 15.477 3.893 16.637 1.00 0.00 C ATOM 1235 C PRO A 83 16.452 5.025 16.304 1.00 0.00 C ATOM 1236 O PRO A 83 17.057 5.611 17.200 1.00 0.00 O ATOM 1237 CB PRO A 83 15.093 3.854 18.107 1.00 0.00 C ATOM 1238 CG PRO A 83 15.903 2.724 18.720 1.00 0.00 C ATOM 1239 CD PRO A 83 16.476 1.892 17.584 1.00 0.00 C ATOM 0 HA PRO A 83 14.603 4.089 16.016 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.316 4.803 18.594 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.024 3.678 18.227 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.704 3.123 19.343 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.274 2.109 19.364 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.561 1.816 17.657 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.083 0.875 17.600 1.00 0.00 H new ATOM 1247 N GLU A 84 16.573 5.297 15.013 1.00 0.00 N ATOM 1248 CA GLU A 84 17.464 6.348 14.550 1.00 0.00 C ATOM 1249 C GLU A 84 16.735 7.693 14.535 1.00 0.00 C ATOM 1250 O GLU A 84 15.512 7.739 14.409 1.00 0.00 O ATOM 1251 CB GLU A 84 18.032 6.017 13.169 1.00 0.00 C ATOM 1252 CG GLU A 84 19.300 5.169 13.287 1.00 0.00 C ATOM 1253 CD GLU A 84 19.283 4.014 12.284 1.00 0.00 C ATOM 1254 OE1 GLU A 84 18.445 3.107 12.478 1.00 0.00 O ATOM 1255 OE2 GLU A 84 20.108 4.063 11.347 1.00 0.00 O ATOM 0 H GLU A 84 16.069 4.808 14.273 1.00 0.00 H new ATOM 0 HA GLU A 84 18.302 6.418 15.243 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.285 5.481 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.256 6.939 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 84 20.177 5.793 13.113 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.385 4.775 14.300 1.00 0.00 H new ATOM 1262 N GLU A 85 17.516 8.755 14.666 1.00 0.00 N ATOM 1263 CA GLU A 85 16.960 10.098 14.669 1.00 0.00 C ATOM 1264 C GLU A 85 15.963 10.261 13.521 1.00 0.00 C ATOM 1265 O GLU A 85 16.177 9.740 12.427 1.00 0.00 O ATOM 1266 CB GLU A 85 18.068 11.150 14.587 1.00 0.00 C ATOM 1267 CG GLU A 85 18.674 11.417 15.966 1.00 0.00 C ATOM 1268 CD GLU A 85 18.031 12.641 16.620 1.00 0.00 C ATOM 1269 OE1 GLU A 85 18.131 13.728 16.010 1.00 0.00 O ATOM 1270 OE2 GLU A 85 17.455 12.463 17.715 1.00 0.00 O ATOM 0 H GLU A 85 18.530 8.713 14.771 1.00 0.00 H new ATOM 0 HA GLU A 85 16.430 10.249 15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.846 10.811 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.665 12.076 14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.534 10.544 16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.748 11.574 15.871 1.00 0.00 H new ATOM 1277 N PRO A 86 14.864 11.007 13.815 1.00 0.00 N ATOM 1278 CA PRO A 86 13.833 11.246 12.820 1.00 0.00 C ATOM 1279 C PRO A 86 14.296 12.274 11.786 1.00 0.00 C ATOM 1280 O PRO A 86 14.881 13.297 12.141 1.00 0.00 O ATOM 1281 CB PRO A 86 12.620 11.706 13.613 1.00 0.00 C ATOM 1282 CG PRO A 86 13.152 12.153 14.966 1.00 0.00 C ATOM 1283 CD PRO A 86 14.576 11.641 15.099 1.00 0.00 C ATOM 0 HA PRO A 86 13.597 10.356 12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.108 12.523 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.897 10.898 13.725 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.128 13.240 15.045 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.529 11.761 15.770 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.272 12.455 15.304 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.666 10.930 15.921 1.00 0.00 H new ATOM 1291 N SER A 87 14.017 11.968 10.528 1.00 0.00 N ATOM 1292 CA SER A 87 14.398 12.852 9.440 1.00 0.00 C ATOM 1293 C SER A 87 13.253 12.964 8.431 1.00 0.00 C ATOM 1294 O SER A 87 13.191 12.199 7.470 1.00 0.00 O ATOM 1295 CB SER A 87 15.669 12.358 8.748 1.00 0.00 C ATOM 1296 OG SER A 87 16.832 12.592 9.537 1.00 0.00 O ATOM 0 H SER A 87 13.531 11.119 10.238 1.00 0.00 H new ATOM 0 HA SER A 87 14.604 13.838 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.579 11.291 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.776 12.860 7.786 1.00 0.00 H new ATOM 0 HG SER A 87 17.622 12.261 9.061 1.00 0.00 H new ATOM 1302 N ALA A 88 12.375 13.923 8.684 1.00 0.00 N ATOM 1303 CA ALA A 88 11.235 14.144 7.810 1.00 0.00 C ATOM 1304 C ALA A 88 10.836 15.620 7.863 1.00 0.00 C ATOM 1305 O ALA A 88 11.062 16.292 8.868 1.00 0.00 O ATOM 1306 CB ALA A 88 10.090 13.216 8.219 1.00 0.00 C ATOM 0 H ALA A 88 12.430 14.556 9.482 1.00 0.00 H new ATOM 0 HA ALA A 88 11.492 13.909 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.235 13.382 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.415 12.179 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.803 13.425 9.250 1.00 0.00 H new ATOM 1312 N LYS A 89 10.251 16.081 6.768 1.00 0.00 N ATOM 1313 CA LYS A 89 9.818 17.466 6.677 1.00 0.00 C ATOM 1314 C LYS A 89 8.292 17.525 6.761 1.00 0.00 C ATOM 1315 O LYS A 89 7.617 16.513 6.583 1.00 0.00 O ATOM 1316 CB LYS A 89 10.391 18.124 5.420 1.00 0.00 C ATOM 1317 CG LYS A 89 11.018 19.480 5.749 1.00 0.00 C ATOM 1318 CD LYS A 89 10.051 20.623 5.435 1.00 0.00 C ATOM 1319 CE LYS A 89 9.922 21.575 6.626 1.00 0.00 C ATOM 1320 NZ LYS A 89 10.133 22.975 6.195 1.00 0.00 N ATOM 0 H LYS A 89 10.066 15.521 5.936 1.00 0.00 H new ATOM 0 HA LYS A 89 10.206 18.043 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.141 17.471 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.601 18.254 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.293 19.511 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.936 19.608 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.403 21.173 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.072 20.217 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.935 21.472 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.651 21.310 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.042 23.608 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.084 23.073 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.421 23.229 5.481 1.00 0.00 H new ATOM 1334 N THR A 90 7.792 18.722 7.033 1.00 0.00 N ATOM 1335 CA THR A 90 6.358 18.927 7.143 1.00 0.00 C ATOM 1336 C THR A 90 5.804 18.179 8.358 1.00 0.00 C ATOM 1337 O THR A 90 5.538 18.785 9.396 1.00 0.00 O ATOM 1338 CB THR A 90 5.716 18.498 5.822 1.00 0.00 C ATOM 1339 OG1 THR A 90 6.354 19.316 4.845 1.00 0.00 O ATOM 1340 CG2 THR A 90 4.241 18.894 5.733 1.00 0.00 C ATOM 0 H THR A 90 8.355 19.560 7.180 1.00 0.00 H new ATOM 0 HA THR A 90 6.121 19.978 7.311 1.00 0.00 H new ATOM 0 HB THR A 90 5.810 17.418 5.706 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.998 19.103 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.833 18.566 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.688 18.421 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.149 19.977 5.815 1.00 0.00 H new ATOM 1348 N SER A 91 5.648 16.875 8.189 1.00 0.00 N ATOM 1349 CA SER A 91 5.131 16.038 9.259 1.00 0.00 C ATOM 1350 C SER A 91 6.215 15.070 9.737 1.00 0.00 C ATOM 1351 O SER A 91 7.176 14.804 9.016 1.00 0.00 O ATOM 1352 CB SER A 91 3.891 15.265 8.804 1.00 0.00 C ATOM 1353 OG SER A 91 2.794 15.444 9.695 1.00 0.00 O ATOM 0 H SER A 91 5.870 16.377 7.327 1.00 0.00 H new ATOM 0 HA SER A 91 4.839 16.684 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.604 15.595 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.131 14.204 8.733 1.00 0.00 H new ATOM 0 HG SER A 91 2.022 14.936 9.369 1.00 0.00 H new ATOM 1359 N GLY A 92 6.024 14.569 10.948 1.00 0.00 N ATOM 1360 CA GLY A 92 6.973 13.636 11.530 1.00 0.00 C ATOM 1361 C GLY A 92 6.261 12.395 12.072 1.00 0.00 C ATOM 1362 O GLY A 92 5.046 12.408 12.269 1.00 0.00 O ATOM 0 H GLY A 92 5.226 14.792 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.705 13.340 10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.522 14.125 12.335 1.00 0.00 H new ATOM 1366 N PRO A 93 7.067 11.325 12.305 1.00 0.00 N ATOM 1367 CA PRO A 93 6.526 10.078 12.820 1.00 0.00 C ATOM 1368 C PRO A 93 6.197 10.198 14.310 1.00 0.00 C ATOM 1369 O PRO A 93 5.156 9.723 14.759 1.00 0.00 O ATOM 1370 CB PRO A 93 7.593 9.036 12.529 1.00 0.00 C ATOM 1371 CG PRO A 93 8.878 9.812 12.285 1.00 0.00 C ATOM 1372 CD PRO A 93 8.509 11.272 12.083 1.00 0.00 C ATOM 0 HA PRO A 93 5.582 9.803 12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 93 7.705 8.348 13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.327 8.437 11.658 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.556 9.703 13.131 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.397 9.425 11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.041 11.915 12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.768 11.611 11.080 1.00 0.00 H new ATOM 1380 N SER A 94 7.106 10.835 15.034 1.00 0.00 N ATOM 1381 CA SER A 94 6.925 11.023 16.464 1.00 0.00 C ATOM 1382 C SER A 94 7.196 9.711 17.202 1.00 0.00 C ATOM 1383 O SER A 94 8.076 9.647 18.059 1.00 0.00 O ATOM 1384 CB SER A 94 5.516 11.529 16.779 1.00 0.00 C ATOM 1385 OG SER A 94 5.434 12.102 18.081 1.00 0.00 O ATOM 0 H SER A 94 7.969 11.227 14.658 1.00 0.00 H new ATOM 0 HA SER A 94 7.636 11.776 16.803 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.223 12.272 16.037 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.808 10.704 16.701 1.00 0.00 H new ATOM 0 HG SER A 94 4.520 12.415 18.244 1.00 0.00 H new ATOM 1391 N SER A 95 6.423 8.696 16.843 1.00 0.00 N ATOM 1392 CA SER A 95 6.568 7.389 17.461 1.00 0.00 C ATOM 1393 C SER A 95 8.041 6.978 17.474 1.00 0.00 C ATOM 1394 O SER A 95 8.645 6.781 16.421 1.00 0.00 O ATOM 1395 CB SER A 95 5.730 6.338 16.730 1.00 0.00 C ATOM 1396 OG SER A 95 4.832 5.666 17.608 1.00 0.00 O ATOM 0 H SER A 95 5.694 8.753 16.132 1.00 0.00 H new ATOM 0 HA SER A 95 6.206 7.453 18.487 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.165 6.817 15.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.391 5.610 16.261 1.00 0.00 H new ATOM 0 HG SER A 95 4.314 5.005 17.103 1.00 0.00 H new ATOM 1402 N GLY A 96 8.579 6.859 18.680 1.00 0.00 N ATOM 1403 CA GLY A 96 9.970 6.475 18.845 1.00 0.00 C ATOM 1404 C GLY A 96 10.347 6.401 20.326 1.00 0.00 C ATOM 1405 O GLY A 96 11.497 6.125 20.664 1.00 0.00 O ATOM 0 H GLY A 96 8.076 7.022 19.552 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.142 5.507 18.374 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.612 7.195 18.338 1.00 0.00 H new TER 1409 GLY A 96