USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 44 HIS : no HD1:sc= -6.99! C(o=-7.2!,f=-6.8!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.24 K(o=-7.2,f=-9.6) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.151 USER MOD Set 3.2: A 74 TYR OH : rot -173:sc= 0.959 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.116 (180deg=-0.00562) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=-0.012) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 18 TYR OH : rot 44:sc= 2.15 USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= 0.437 (180deg=-1.35) USER MOD Single : A 26 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.2!) USER MOD Single : A 28 THR OG1 : rot -170:sc= 1 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 169:sc=-0.00692 (180deg=-0.126) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.0064) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.0566 X(o=0.057,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -81:sc= 1.11 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.927!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.364 -1.126 -5.774 1.00 0.00 N ATOM 2 CA MET A 1 -0.188 -0.025 -4.970 1.00 0.00 C ATOM 3 C MET A 1 0.920 0.721 -4.260 1.00 0.00 C ATOM 4 O MET A 1 2.099 0.366 -4.375 1.00 0.00 O ATOM 5 CB MET A 1 -1.204 -0.540 -3.947 1.00 0.00 C ATOM 6 CG MET A 1 -2.496 -1.050 -4.546 1.00 0.00 C ATOM 7 SD MET A 1 -3.662 -1.596 -3.288 1.00 0.00 S ATOM 8 CE MET A 1 -4.954 -2.303 -4.305 1.00 0.00 C ATOM 0 H1 MET A 1 0.088 -1.002 -6.769 1.00 0.00 H new ATOM 0 H2 MET A 1 1.401 -1.124 -5.700 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.006 -2.032 -5.422 1.00 0.00 H new ATOM 0 HA MET A 1 -0.699 0.656 -5.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.744 -1.343 -3.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.435 0.263 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.953 -0.262 -5.144 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.279 -1.878 -5.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.751 -2.686 -3.667 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.356 -1.536 -4.968 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.543 -3.118 -4.901 1.00 0.00 H new ATOM 20 N GLY A 2 0.543 1.750 -3.532 1.00 0.00 N ATOM 21 CA GLY A 2 1.498 2.534 -2.802 1.00 0.00 C ATOM 22 C GLY A 2 0.992 3.926 -2.543 1.00 0.00 C ATOM 23 O GLY A 2 -0.169 4.234 -2.831 1.00 0.00 O ATOM 0 H GLY A 2 -0.424 2.059 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.721 2.045 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.432 2.584 -3.362 1.00 0.00 H new ATOM 27 N HIS A 3 1.854 4.770 -2.009 1.00 0.00 N ATOM 28 CA HIS A 3 1.497 6.144 -1.694 1.00 0.00 C ATOM 29 C HIS A 3 1.703 7.039 -2.907 1.00 0.00 C ATOM 30 O HIS A 3 1.153 8.134 -2.988 1.00 0.00 O ATOM 31 CB HIS A 3 2.332 6.651 -0.514 1.00 0.00 C ATOM 32 CG HIS A 3 2.106 5.882 0.752 1.00 0.00 C ATOM 33 ND1 HIS A 3 2.820 4.750 1.083 1.00 0.00 N ATOM 34 CD2 HIS A 3 1.238 6.083 1.766 1.00 0.00 C ATOM 35 CE1 HIS A 3 2.397 4.288 2.247 1.00 0.00 C ATOM 36 NE2 HIS A 3 1.438 5.077 2.681 1.00 0.00 N ATOM 0 H HIS A 3 2.818 4.526 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 3 0.443 6.173 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.388 6.599 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.099 7.701 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.520 6.886 1.844 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.774 3.413 2.755 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.926 4.961 3.555 1.00 0.00 H new ATOM 44 N HIS A 4 2.500 6.567 -3.849 1.00 0.00 N ATOM 45 CA HIS A 4 2.758 7.309 -5.075 1.00 0.00 C ATOM 46 C HIS A 4 2.039 6.654 -6.240 1.00 0.00 C ATOM 47 O HIS A 4 2.028 5.433 -6.361 1.00 0.00 O ATOM 48 CB HIS A 4 4.261 7.406 -5.362 1.00 0.00 C ATOM 49 CG HIS A 4 5.010 8.258 -4.387 1.00 0.00 C ATOM 50 ND1 HIS A 4 6.046 7.786 -3.608 1.00 0.00 N ATOM 51 CD2 HIS A 4 4.876 9.569 -4.073 1.00 0.00 C ATOM 52 CE1 HIS A 4 6.514 8.769 -2.859 1.00 0.00 C ATOM 53 NE2 HIS A 4 5.820 9.857 -3.122 1.00 0.00 N ATOM 0 H HIS A 4 2.982 5.670 -3.790 1.00 0.00 H new ATOM 0 HA HIS A 4 2.378 8.322 -4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 4 4.688 6.403 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 4 4.404 7.807 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.159 10.259 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.327 8.693 -2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.962 10.769 -2.687 1.00 0.00 H new ATOM 61 N HIS A 5 1.428 7.463 -7.084 1.00 0.00 N ATOM 62 CA HIS A 5 0.657 6.945 -8.209 1.00 0.00 C ATOM 63 C HIS A 5 1.542 6.714 -9.424 1.00 0.00 C ATOM 64 O HIS A 5 2.389 7.545 -9.754 1.00 0.00 O ATOM 65 CB HIS A 5 -0.483 7.903 -8.579 1.00 0.00 C ATOM 66 CG HIS A 5 -1.453 8.157 -7.472 1.00 0.00 C ATOM 67 ND1 HIS A 5 -1.793 9.421 -7.057 1.00 0.00 N ATOM 68 CD2 HIS A 5 -2.164 7.304 -6.695 1.00 0.00 C ATOM 69 CE1 HIS A 5 -2.665 9.340 -6.071 1.00 0.00 C ATOM 70 NE2 HIS A 5 -2.909 8.067 -5.833 1.00 0.00 N ATOM 0 H HIS A 5 1.447 8.481 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 5 0.233 5.990 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.055 8.854 -8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.023 7.495 -9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -2.147 6.225 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.105 10.176 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -3.548 7.708 -5.123 1.00 0.00 H new ATOM 78 N HIS A 6 1.341 5.585 -10.087 1.00 0.00 N ATOM 79 CA HIS A 6 2.079 5.271 -11.299 1.00 0.00 C ATOM 80 C HIS A 6 1.280 5.699 -12.515 1.00 0.00 C ATOM 81 O HIS A 6 0.138 5.273 -12.705 1.00 0.00 O ATOM 82 CB HIS A 6 2.419 3.780 -11.370 1.00 0.00 C ATOM 83 CG HIS A 6 3.503 3.363 -10.422 1.00 0.00 C ATOM 84 ND1 HIS A 6 4.839 3.399 -10.753 1.00 0.00 N ATOM 85 CD2 HIS A 6 3.447 2.902 -9.148 1.00 0.00 C ATOM 86 CE1 HIS A 6 5.559 2.978 -9.727 1.00 0.00 C ATOM 87 NE2 HIS A 6 4.741 2.670 -8.742 1.00 0.00 N ATOM 0 H HIS A 6 0.671 4.870 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 6 3.020 5.822 -11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.520 3.201 -11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.724 3.534 -12.387 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.554 2.746 -8.562 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.636 2.900 -9.701 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.021 2.317 -7.827 1.00 0.00 H new ATOM 95 N HIS A 7 1.881 6.544 -13.328 1.00 0.00 N ATOM 96 CA HIS A 7 1.216 7.115 -14.494 1.00 0.00 C ATOM 97 C HIS A 7 0.967 6.059 -15.555 1.00 0.00 C ATOM 98 O HIS A 7 -0.054 6.097 -16.252 1.00 0.00 O ATOM 99 CB HIS A 7 2.055 8.254 -15.079 1.00 0.00 C ATOM 100 CG HIS A 7 2.395 9.310 -14.076 1.00 0.00 C ATOM 101 ND1 HIS A 7 3.661 9.472 -13.557 1.00 0.00 N ATOM 102 CD2 HIS A 7 1.626 10.238 -13.473 1.00 0.00 C ATOM 103 CE1 HIS A 7 3.653 10.453 -12.675 1.00 0.00 C ATOM 104 NE2 HIS A 7 2.430 10.936 -12.601 1.00 0.00 N ATOM 0 H HIS A 7 2.844 6.858 -13.204 1.00 0.00 H new ATOM 0 HA HIS A 7 0.252 7.509 -14.171 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.977 7.843 -15.491 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.511 8.710 -15.906 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.572 10.404 -13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.505 10.801 -12.110 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.129 11.701 -11.997 1.00 0.00 H new ATOM 112 N HIS A 8 1.915 5.119 -15.670 1.00 0.00 N ATOM 113 CA HIS A 8 1.865 4.020 -16.649 1.00 0.00 C ATOM 114 C HIS A 8 2.105 4.542 -18.067 1.00 0.00 C ATOM 115 O HIS A 8 3.059 4.141 -18.728 1.00 0.00 O ATOM 116 CB HIS A 8 0.532 3.242 -16.555 1.00 0.00 C ATOM 117 CG HIS A 8 0.458 2.041 -17.449 1.00 0.00 C ATOM 118 ND1 HIS A 8 -0.535 1.859 -18.392 1.00 0.00 N ATOM 119 CD2 HIS A 8 1.249 0.946 -17.526 1.00 0.00 C ATOM 120 CE1 HIS A 8 -0.348 0.707 -19.007 1.00 0.00 C ATOM 121 NE2 HIS A 8 0.723 0.136 -18.501 1.00 0.00 N ATOM 0 H HIS A 8 2.747 5.098 -15.081 1.00 0.00 H new ATOM 0 HA HIS A 8 2.667 3.322 -16.409 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.382 2.923 -15.524 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.288 3.916 -16.802 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.129 0.747 -16.932 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.969 0.302 -19.792 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.103 -0.766 -18.788 1.00 0.00 H new ATOM 129 N SER A 9 1.245 5.430 -18.519 1.00 0.00 N ATOM 130 CA SER A 9 1.389 6.034 -19.823 1.00 0.00 C ATOM 131 C SER A 9 2.429 7.160 -19.755 1.00 0.00 C ATOM 132 O SER A 9 2.514 7.878 -18.751 1.00 0.00 O ATOM 133 CB SER A 9 0.034 6.573 -20.301 1.00 0.00 C ATOM 134 OG SER A 9 0.113 7.057 -21.630 1.00 0.00 O ATOM 0 H SER A 9 0.431 5.751 -17.995 1.00 0.00 H new ATOM 0 HA SER A 9 1.731 5.285 -20.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.715 5.783 -20.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.295 7.374 -19.639 1.00 0.00 H new ATOM 0 HG SER A 9 -0.765 7.392 -21.909 1.00 0.00 H new ATOM 140 N HIS A 10 3.221 7.306 -20.807 1.00 0.00 N ATOM 141 CA HIS A 10 4.255 8.336 -20.837 1.00 0.00 C ATOM 142 C HIS A 10 3.766 9.561 -21.586 1.00 0.00 C ATOM 143 O HIS A 10 3.248 9.454 -22.702 1.00 0.00 O ATOM 144 CB HIS A 10 5.541 7.802 -21.479 1.00 0.00 C ATOM 145 CG HIS A 10 6.169 6.676 -20.723 1.00 0.00 C ATOM 146 ND1 HIS A 10 6.355 5.420 -21.261 1.00 0.00 N ATOM 147 CD2 HIS A 10 6.660 6.615 -19.463 1.00 0.00 C ATOM 148 CE1 HIS A 10 6.930 4.639 -20.366 1.00 0.00 C ATOM 149 NE2 HIS A 10 7.127 5.338 -19.268 1.00 0.00 N ATOM 0 H HIS A 10 3.170 6.730 -21.647 1.00 0.00 H new ATOM 0 HA HIS A 10 4.476 8.620 -19.808 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.319 7.468 -22.492 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.260 8.617 -21.563 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.681 7.421 -18.744 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.194 3.602 -20.510 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.557 4.988 -18.412 1.00 0.00 H new ATOM 157 N MET A 11 3.918 10.717 -20.972 1.00 0.00 N ATOM 158 CA MET A 11 3.473 11.965 -21.572 1.00 0.00 C ATOM 159 C MET A 11 4.643 12.748 -22.139 1.00 0.00 C ATOM 160 O MET A 11 5.750 12.712 -21.599 1.00 0.00 O ATOM 161 CB MET A 11 2.723 12.821 -20.552 1.00 0.00 C ATOM 162 CG MET A 11 1.404 12.222 -20.094 1.00 0.00 C ATOM 163 SD MET A 11 0.535 13.284 -18.925 1.00 0.00 S ATOM 164 CE MET A 11 -0.817 12.214 -18.437 1.00 0.00 C ATOM 0 H MET A 11 4.348 10.821 -20.053 1.00 0.00 H new ATOM 0 HA MET A 11 2.796 11.713 -22.388 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.362 12.975 -19.682 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.533 13.803 -20.986 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.768 12.045 -20.961 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.590 11.253 -19.631 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.447 12.731 -17.713 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.410 11.954 -19.314 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.418 11.305 -17.987 1.00 0.00 H new ATOM 174 N VAL A 12 4.394 13.452 -23.226 1.00 0.00 N ATOM 175 CA VAL A 12 5.407 14.279 -23.860 1.00 0.00 C ATOM 176 C VAL A 12 4.756 15.472 -24.566 1.00 0.00 C ATOM 177 O VAL A 12 4.121 15.327 -25.622 1.00 0.00 O ATOM 178 CB VAL A 12 6.292 13.458 -24.862 1.00 0.00 C ATOM 179 CG1 VAL A 12 5.433 12.645 -25.834 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.256 14.374 -25.617 1.00 0.00 C ATOM 0 H VAL A 12 3.488 13.468 -23.694 1.00 0.00 H new ATOM 0 HA VAL A 12 6.067 14.650 -23.076 1.00 0.00 H new ATOM 0 HB VAL A 12 6.882 12.753 -24.277 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.079 12.089 -26.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.810 11.948 -25.274 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.797 13.319 -26.408 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.858 13.781 -26.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.688 15.116 -26.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.910 14.879 -24.906 1.00 0.00 H new ATOM 190 N LYS A 13 4.876 16.641 -23.952 1.00 0.00 N ATOM 191 CA LYS A 13 4.296 17.857 -24.489 1.00 0.00 C ATOM 192 C LYS A 13 5.250 19.012 -24.267 1.00 0.00 C ATOM 193 O LYS A 13 5.244 19.624 -23.199 1.00 0.00 O ATOM 194 CB LYS A 13 2.952 18.157 -23.813 1.00 0.00 C ATOM 195 CG LYS A 13 1.909 17.078 -24.021 1.00 0.00 C ATOM 196 CD LYS A 13 0.587 17.438 -23.357 1.00 0.00 C ATOM 197 CE LYS A 13 -0.456 16.351 -23.583 1.00 0.00 C ATOM 198 NZ LYS A 13 -1.772 16.711 -22.995 1.00 0.00 N ATOM 0 H LYS A 13 5.376 16.770 -23.072 1.00 0.00 H new ATOM 0 HA LYS A 13 4.124 17.723 -25.557 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.115 18.290 -22.744 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.566 19.101 -24.196 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.751 16.926 -25.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.275 16.135 -23.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.741 17.581 -22.288 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.222 18.384 -23.756 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.572 16.177 -24.653 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.106 15.416 -23.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.452 15.944 -23.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.667 16.852 -21.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.119 17.589 -23.432 1.00 0.00 H new ATOM 212 N GLU A 14 6.071 19.281 -25.278 1.00 0.00 N ATOM 213 CA GLU A 14 7.096 20.325 -25.231 1.00 0.00 C ATOM 214 C GLU A 14 7.947 20.192 -23.981 1.00 0.00 C ATOM 215 O GLU A 14 7.725 20.881 -22.977 1.00 0.00 O ATOM 216 CB GLU A 14 6.496 21.727 -25.307 1.00 0.00 C ATOM 217 CG GLU A 14 7.550 22.827 -25.321 1.00 0.00 C ATOM 218 CD GLU A 14 6.952 24.210 -25.384 1.00 0.00 C ATOM 219 OE1 GLU A 14 6.198 24.497 -26.340 1.00 0.00 O ATOM 220 OE2 GLU A 14 7.230 25.022 -24.483 1.00 0.00 O ATOM 0 H GLU A 14 6.045 18.776 -26.164 1.00 0.00 H new ATOM 0 HA GLU A 14 7.727 20.186 -26.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.885 21.806 -26.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.832 21.879 -24.456 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.167 22.744 -24.426 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.209 22.682 -26.177 1.00 0.00 H new ATOM 227 N THR A 15 8.897 19.299 -24.021 1.00 0.00 N ATOM 228 CA THR A 15 9.735 19.096 -22.905 1.00 0.00 C ATOM 229 C THR A 15 10.890 20.074 -22.926 1.00 0.00 C ATOM 230 O THR A 15 11.759 20.028 -23.801 1.00 0.00 O ATOM 231 CB THR A 15 10.271 17.686 -22.881 1.00 0.00 C ATOM 232 OG1 THR A 15 9.207 16.747 -23.100 1.00 0.00 O ATOM 233 CG2 THR A 15 10.928 17.401 -21.560 1.00 0.00 C ATOM 0 H THR A 15 9.099 18.705 -24.825 1.00 0.00 H new ATOM 0 HA THR A 15 9.139 19.260 -22.007 1.00 0.00 H new ATOM 0 HB THR A 15 11.009 17.584 -23.677 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.567 15.836 -23.084 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.310 16.380 -21.556 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.752 18.098 -21.406 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.199 17.518 -20.758 1.00 0.00 H new ATOM 241 N THR A 16 10.881 20.959 -21.975 1.00 0.00 N ATOM 242 CA THR A 16 11.915 21.942 -21.844 1.00 0.00 C ATOM 243 C THR A 16 12.947 21.497 -20.830 1.00 0.00 C ATOM 244 O THR A 16 12.755 20.503 -20.151 1.00 0.00 O ATOM 245 CB THR A 16 11.342 23.354 -21.501 1.00 0.00 C ATOM 246 OG1 THR A 16 12.398 24.288 -21.245 1.00 0.00 O ATOM 247 CG2 THR A 16 10.405 23.299 -20.300 1.00 0.00 C ATOM 0 H THR A 16 10.152 21.020 -21.264 1.00 0.00 H new ATOM 0 HA THR A 16 12.408 22.034 -22.812 1.00 0.00 H new ATOM 0 HB THR A 16 10.774 23.689 -22.369 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.015 25.165 -21.034 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.025 24.299 -20.089 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.571 22.632 -20.519 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.948 22.927 -19.431 1.00 0.00 H new ATOM 255 N TYR A 17 14.026 22.248 -20.724 1.00 0.00 N ATOM 256 CA TYR A 17 15.127 21.921 -19.814 1.00 0.00 C ATOM 257 C TYR A 17 14.610 21.864 -18.392 1.00 0.00 C ATOM 258 O TYR A 17 15.041 21.040 -17.594 1.00 0.00 O ATOM 259 CB TYR A 17 16.232 22.975 -19.939 1.00 0.00 C ATOM 260 CG TYR A 17 16.700 23.184 -21.361 1.00 0.00 C ATOM 261 CD1 TYR A 17 17.530 22.265 -21.987 1.00 0.00 C ATOM 262 CD2 TYR A 17 16.291 24.299 -22.083 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.946 22.455 -23.290 1.00 0.00 C ATOM 264 CE2 TYR A 17 16.701 24.496 -23.386 1.00 0.00 C ATOM 265 CZ TYR A 17 17.528 23.571 -23.985 1.00 0.00 C ATOM 266 OH TYR A 17 17.941 23.764 -25.283 1.00 0.00 O ATOM 0 H TYR A 17 14.172 23.102 -21.262 1.00 0.00 H new ATOM 0 HA TYR A 17 15.541 20.948 -20.078 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.868 23.922 -19.541 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.081 22.676 -19.324 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.856 21.388 -21.447 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.641 25.024 -21.616 1.00 0.00 H new ATOM 0 HE1 TYR A 17 18.596 21.733 -23.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.376 25.369 -23.932 1.00 0.00 H new ATOM 0 HH TYR A 17 17.557 24.597 -25.628 1.00 0.00 H new ATOM 276 N TYR A 18 13.662 22.728 -18.100 1.00 0.00 N ATOM 277 CA TYR A 18 13.046 22.780 -16.819 1.00 0.00 C ATOM 278 C TYR A 18 12.139 21.558 -16.618 1.00 0.00 C ATOM 279 O TYR A 18 12.042 21.026 -15.522 1.00 0.00 O ATOM 280 CB TYR A 18 12.274 24.081 -16.699 1.00 0.00 C ATOM 281 CG TYR A 18 13.157 25.318 -16.578 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.149 25.606 -17.526 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.001 26.193 -15.515 1.00 0.00 C ATOM 284 CE1 TYR A 18 14.950 26.725 -17.403 1.00 0.00 C ATOM 285 CE2 TYR A 18 13.799 27.312 -15.387 1.00 0.00 C ATOM 286 CZ TYR A 18 14.769 27.577 -16.334 1.00 0.00 C ATOM 287 OH TYR A 18 15.567 28.699 -16.198 1.00 0.00 O ATOM 0 H TYR A 18 13.303 23.416 -18.762 1.00 0.00 H new ATOM 0 HA TYR A 18 13.803 22.752 -16.035 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.630 24.191 -17.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.623 24.026 -15.827 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.289 24.942 -18.366 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.241 25.996 -14.773 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.713 26.931 -18.139 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.665 27.979 -14.548 1.00 0.00 H new ATOM 0 HH TYR A 18 15.656 29.145 -17.066 1.00 0.00 H new ATOM 297 N ASP A 19 11.478 21.128 -17.705 1.00 0.00 N ATOM 298 CA ASP A 19 10.610 19.933 -17.688 1.00 0.00 C ATOM 299 C ASP A 19 11.439 18.665 -17.494 1.00 0.00 C ATOM 300 O ASP A 19 11.030 17.734 -16.798 1.00 0.00 O ATOM 301 CB ASP A 19 9.799 19.824 -18.991 1.00 0.00 C ATOM 302 CG ASP A 19 8.691 18.770 -18.893 1.00 0.00 C ATOM 303 OD1 ASP A 19 7.614 19.081 -18.328 1.00 0.00 O ATOM 304 OD2 ASP A 19 8.890 17.643 -19.369 1.00 0.00 O ATOM 0 H ASP A 19 11.527 21.591 -18.612 1.00 0.00 H new ATOM 0 HA ASP A 19 9.920 20.038 -16.851 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.358 20.793 -19.225 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.468 19.571 -19.814 1.00 0.00 H new ATOM 309 N VAL A 20 12.615 18.650 -18.116 1.00 0.00 N ATOM 310 CA VAL A 20 13.553 17.536 -18.023 1.00 0.00 C ATOM 311 C VAL A 20 13.966 17.326 -16.579 1.00 0.00 C ATOM 312 O VAL A 20 14.048 16.194 -16.096 1.00 0.00 O ATOM 313 CB VAL A 20 14.816 17.808 -18.879 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.801 16.669 -18.792 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.442 18.071 -20.312 1.00 0.00 C ATOM 0 H VAL A 20 12.946 19.416 -18.703 1.00 0.00 H new ATOM 0 HA VAL A 20 13.056 16.641 -18.399 1.00 0.00 H new ATOM 0 HB VAL A 20 15.299 18.698 -18.476 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.674 16.895 -19.405 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.110 16.534 -17.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.332 15.754 -19.153 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.344 18.259 -20.895 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.923 17.203 -20.718 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.788 18.942 -20.363 1.00 0.00 H new ATOM 325 N LEU A 21 14.218 18.426 -15.898 1.00 0.00 N ATOM 326 CA LEU A 21 14.610 18.383 -14.494 1.00 0.00 C ATOM 327 C LEU A 21 13.370 18.326 -13.601 1.00 0.00 C ATOM 328 O LEU A 21 13.467 18.065 -12.405 1.00 0.00 O ATOM 329 CB LEU A 21 15.461 19.615 -14.109 1.00 0.00 C ATOM 330 CG LEU A 21 16.970 19.588 -14.449 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.699 18.527 -13.670 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.216 19.402 -15.919 1.00 0.00 C ATOM 0 H LEU A 21 14.159 19.365 -16.291 1.00 0.00 H new ATOM 0 HA LEU A 21 15.212 17.486 -14.347 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.024 20.488 -14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.363 19.766 -13.034 1.00 0.00 H new ATOM 0 HG LEU A 21 17.363 20.563 -14.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.756 18.541 -13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.592 18.721 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.278 17.549 -13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.289 19.389 -16.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.779 18.458 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.759 20.223 -16.471 1.00 0.00 H new ATOM 344 N GLY A 22 12.207 18.549 -14.202 1.00 0.00 N ATOM 345 CA GLY A 22 10.962 18.528 -13.461 1.00 0.00 C ATOM 346 C GLY A 22 10.916 19.608 -12.407 1.00 0.00 C ATOM 347 O GLY A 22 10.453 19.375 -11.286 1.00 0.00 O ATOM 0 H GLY A 22 12.105 18.745 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.127 18.657 -14.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.837 17.554 -12.988 1.00 0.00 H new ATOM 351 N VAL A 23 11.382 20.789 -12.757 1.00 0.00 N ATOM 352 CA VAL A 23 11.483 21.875 -11.807 1.00 0.00 C ATOM 353 C VAL A 23 10.562 23.051 -12.209 1.00 0.00 C ATOM 354 O VAL A 23 9.945 23.030 -13.284 1.00 0.00 O ATOM 355 CB VAL A 23 12.957 22.348 -11.694 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.274 23.476 -12.656 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.307 22.707 -10.265 1.00 0.00 C ATOM 0 H VAL A 23 11.698 21.021 -13.699 1.00 0.00 H new ATOM 0 HA VAL A 23 11.155 21.512 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 23 13.589 21.509 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.317 23.772 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.105 23.140 -13.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.629 24.328 -12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.345 23.035 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.656 23.511 -9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.172 21.834 -9.627 1.00 0.00 H new ATOM 367 N LYS A 24 10.468 24.059 -11.338 1.00 0.00 N ATOM 368 CA LYS A 24 9.622 25.223 -11.586 1.00 0.00 C ATOM 369 C LYS A 24 10.361 26.252 -12.438 1.00 0.00 C ATOM 370 O LYS A 24 11.589 26.285 -12.459 1.00 0.00 O ATOM 371 CB LYS A 24 9.207 25.892 -10.272 1.00 0.00 C ATOM 372 CG LYS A 24 8.451 25.009 -9.287 1.00 0.00 C ATOM 373 CD LYS A 24 8.148 25.780 -8.010 1.00 0.00 C ATOM 374 CE LYS A 24 7.819 24.853 -6.855 1.00 0.00 C ATOM 375 NZ LYS A 24 8.948 23.941 -6.543 1.00 0.00 N ATOM 0 H LYS A 24 10.971 24.090 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 24 8.734 24.872 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.103 26.268 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.586 26.756 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.522 24.661 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.043 24.124 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.006 26.398 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.310 26.455 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.574 25.444 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.934 24.266 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.654 22.957 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.756 24.166 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.226 24.060 -5.548 1.00 0.00 H new ATOM 389 N PRO A 25 9.619 27.121 -13.138 1.00 0.00 N ATOM 390 CA PRO A 25 10.205 28.186 -13.968 1.00 0.00 C ATOM 391 C PRO A 25 10.959 29.218 -13.122 1.00 0.00 C ATOM 392 O PRO A 25 11.861 29.901 -13.604 1.00 0.00 O ATOM 393 CB PRO A 25 8.981 28.840 -14.626 1.00 0.00 C ATOM 394 CG PRO A 25 7.884 27.836 -14.489 1.00 0.00 C ATOM 395 CD PRO A 25 8.154 27.120 -13.203 1.00 0.00 C ATOM 0 HA PRO A 25 10.933 27.797 -14.680 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.722 29.777 -14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.174 29.073 -15.673 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.908 28.321 -14.470 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.879 27.143 -15.330 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.710 27.635 -12.351 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.749 26.108 -13.210 1.00 0.00 H new ATOM 403 N ASN A 26 10.604 29.291 -11.850 1.00 0.00 N ATOM 404 CA ASN A 26 11.198 30.245 -10.932 1.00 0.00 C ATOM 405 C ASN A 26 11.945 29.514 -9.844 1.00 0.00 C ATOM 406 O ASN A 26 12.189 30.050 -8.761 1.00 0.00 O ATOM 407 CB ASN A 26 10.138 31.154 -10.326 1.00 0.00 C ATOM 408 CG ASN A 26 9.616 32.199 -11.301 1.00 0.00 C ATOM 409 OD1 ASN A 26 10.333 32.643 -12.200 1.00 0.00 O ATOM 410 ND2 ASN A 26 8.376 32.605 -11.126 1.00 0.00 N ATOM 0 H ASN A 26 9.897 28.691 -11.426 1.00 0.00 H new ATOM 0 HA ASN A 26 11.897 30.869 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.305 30.546 -9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.555 31.657 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.978 33.310 -11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.813 32.214 -10.370 1.00 0.00 H new ATOM 417 N ALA A 27 12.309 28.281 -10.145 1.00 0.00 N ATOM 418 CA ALA A 27 13.038 27.448 -9.226 1.00 0.00 C ATOM 419 C ALA A 27 14.397 28.036 -8.943 1.00 0.00 C ATOM 420 O ALA A 27 14.988 28.713 -9.790 1.00 0.00 O ATOM 421 CB ALA A 27 13.166 26.076 -9.807 1.00 0.00 C ATOM 0 H ALA A 27 12.103 27.834 -11.039 1.00 0.00 H new ATOM 0 HA ALA A 27 12.497 27.390 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.718 25.438 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.173 25.657 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.700 26.131 -10.755 1.00 0.00 H new ATOM 427 N THR A 28 14.877 27.794 -7.760 1.00 0.00 N ATOM 428 CA THR A 28 16.135 28.327 -7.333 1.00 0.00 C ATOM 429 C THR A 28 17.262 27.483 -7.790 1.00 0.00 C ATOM 430 O THR A 28 17.068 26.356 -8.224 1.00 0.00 O ATOM 431 CB THR A 28 16.184 28.428 -5.814 1.00 0.00 C ATOM 432 OG1 THR A 28 16.127 27.121 -5.242 1.00 0.00 O ATOM 433 CG2 THR A 28 15.017 29.203 -5.340 1.00 0.00 C ATOM 0 H THR A 28 14.405 27.219 -7.062 1.00 0.00 H new ATOM 0 HA THR A 28 16.232 29.319 -7.775 1.00 0.00 H new ATOM 0 HB THR A 28 17.110 28.920 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.000 27.193 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.047 29.278 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.044 30.203 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.099 28.700 -5.643 1.00 0.00 H new ATOM 441 N GLN A 29 18.437 28.030 -7.701 1.00 0.00 N ATOM 442 CA GLN A 29 19.638 27.288 -7.987 1.00 0.00 C ATOM 443 C GLN A 29 19.699 26.048 -7.092 1.00 0.00 C ATOM 444 O GLN A 29 20.190 24.995 -7.492 1.00 0.00 O ATOM 445 CB GLN A 29 20.855 28.177 -7.792 1.00 0.00 C ATOM 446 CG GLN A 29 22.179 27.489 -8.077 1.00 0.00 C ATOM 447 CD GLN A 29 23.358 28.425 -7.948 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.241 29.627 -8.196 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.489 27.892 -7.554 1.00 0.00 N ATOM 0 H GLN A 29 18.595 29.000 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 29 19.630 26.958 -9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.763 29.048 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.862 28.544 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.306 26.653 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.159 27.072 -9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.541 26.892 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.317 28.477 -7.442 1.00 0.00 H new ATOM 458 N GLU A 30 19.169 26.191 -5.880 1.00 0.00 N ATOM 459 CA GLU A 30 19.104 25.099 -4.938 1.00 0.00 C ATOM 460 C GLU A 30 18.074 24.073 -5.416 1.00 0.00 C ATOM 461 O GLU A 30 18.318 22.866 -5.392 1.00 0.00 O ATOM 462 CB GLU A 30 18.708 25.623 -3.554 1.00 0.00 C ATOM 463 CG GLU A 30 18.755 24.570 -2.456 1.00 0.00 C ATOM 464 CD GLU A 30 20.172 24.170 -2.091 1.00 0.00 C ATOM 465 OE1 GLU A 30 20.880 23.589 -2.946 1.00 0.00 O ATOM 466 OE2 GLU A 30 20.579 24.428 -0.936 1.00 0.00 O ATOM 0 H GLU A 30 18.777 27.066 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 30 20.084 24.626 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.372 26.444 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.699 26.033 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.250 24.952 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.204 23.687 -2.781 1.00 0.00 H new ATOM 473 N GLU A 31 16.925 24.580 -5.874 1.00 0.00 N ATOM 474 CA GLU A 31 15.844 23.758 -6.353 1.00 0.00 C ATOM 475 C GLU A 31 16.244 23.007 -7.619 1.00 0.00 C ATOM 476 O GLU A 31 15.880 21.845 -7.804 1.00 0.00 O ATOM 477 CB GLU A 31 14.588 24.616 -6.581 1.00 0.00 C ATOM 478 CG GLU A 31 13.388 23.792 -6.979 1.00 0.00 C ATOM 479 CD GLU A 31 12.069 24.532 -6.900 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.751 25.072 -5.825 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.333 24.554 -7.900 1.00 0.00 O ATOM 0 H GLU A 31 16.732 25.581 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 31 15.613 23.010 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.359 25.168 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.792 25.353 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.530 23.434 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.337 22.913 -6.337 1.00 0.00 H new ATOM 488 N LEU A 32 17.004 23.673 -8.470 1.00 0.00 N ATOM 489 CA LEU A 32 17.511 23.068 -9.692 1.00 0.00 C ATOM 490 C LEU A 32 18.400 21.872 -9.356 1.00 0.00 C ATOM 491 O LEU A 32 18.306 20.807 -9.973 1.00 0.00 O ATOM 492 CB LEU A 32 18.314 24.096 -10.499 1.00 0.00 C ATOM 493 CG LEU A 32 17.513 25.047 -11.397 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.099 25.224 -10.902 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.186 26.397 -11.490 1.00 0.00 C ATOM 0 H LEU A 32 17.287 24.644 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 32 16.664 22.729 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.896 24.697 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.026 23.557 -11.124 1.00 0.00 H new ATOM 0 HG LEU A 32 17.478 24.593 -12.387 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.564 25.904 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.594 24.258 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.116 25.638 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.598 27.053 -12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.261 26.836 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.185 26.278 -11.910 1.00 0.00 H new ATOM 507 N LYS A 33 19.250 22.066 -8.357 1.00 0.00 N ATOM 508 CA LYS A 33 20.137 21.032 -7.866 1.00 0.00 C ATOM 509 C LYS A 33 19.343 19.877 -7.250 1.00 0.00 C ATOM 510 O LYS A 33 19.658 18.701 -7.470 1.00 0.00 O ATOM 511 CB LYS A 33 21.108 21.629 -6.847 1.00 0.00 C ATOM 512 CG LYS A 33 22.150 20.661 -6.326 1.00 0.00 C ATOM 513 CD LYS A 33 23.105 21.360 -5.380 1.00 0.00 C ATOM 514 CE LYS A 33 24.157 20.411 -4.835 1.00 0.00 C ATOM 515 NZ LYS A 33 25.090 21.103 -3.914 1.00 0.00 N ATOM 0 H LYS A 33 19.341 22.954 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 33 20.707 20.630 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.616 22.478 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.536 22.016 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.660 19.834 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.705 20.233 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.594 22.184 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.544 21.794 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.670 19.589 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.717 19.974 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.795 20.425 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.573 21.872 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.558 21.498 -3.113 1.00 0.00 H new ATOM 529 N LYS A 34 18.313 20.224 -6.478 1.00 0.00 N ATOM 530 CA LYS A 34 17.458 19.227 -5.835 1.00 0.00 C ATOM 531 C LYS A 34 16.738 18.367 -6.863 1.00 0.00 C ATOM 532 O LYS A 34 16.599 17.154 -6.678 1.00 0.00 O ATOM 533 CB LYS A 34 16.442 19.891 -4.887 1.00 0.00 C ATOM 534 CG LYS A 34 17.079 20.559 -3.669 1.00 0.00 C ATOM 535 CD LYS A 34 17.788 19.538 -2.785 1.00 0.00 C ATOM 536 CE LYS A 34 18.432 20.190 -1.569 1.00 0.00 C ATOM 537 NZ LYS A 34 19.139 19.193 -0.723 1.00 0.00 N ATOM 0 H LYS A 34 18.050 21.190 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 34 18.106 18.580 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.874 20.637 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.731 19.138 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.791 21.316 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.312 21.073 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.073 18.784 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.551 19.022 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.136 20.955 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.667 20.693 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.565 19.672 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.462 18.477 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.885 18.731 -1.281 1.00 0.00 H new ATOM 551 N ALA A 35 16.280 18.998 -7.942 1.00 0.00 N ATOM 552 CA ALA A 35 15.606 18.288 -9.022 1.00 0.00 C ATOM 553 C ALA A 35 16.515 17.222 -9.602 1.00 0.00 C ATOM 554 O ALA A 35 16.123 16.063 -9.736 1.00 0.00 O ATOM 555 CB ALA A 35 15.183 19.262 -10.112 1.00 0.00 C ATOM 0 H ALA A 35 16.365 20.004 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 35 14.716 17.807 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.681 18.717 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.501 20.002 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.063 19.765 -10.512 1.00 0.00 H new ATOM 561 N TYR A 36 17.747 17.613 -9.902 1.00 0.00 N ATOM 562 CA TYR A 36 18.730 16.696 -10.461 1.00 0.00 C ATOM 563 C TYR A 36 18.975 15.522 -9.536 1.00 0.00 C ATOM 564 O TYR A 36 18.991 14.374 -9.973 1.00 0.00 O ATOM 565 CB TYR A 36 20.048 17.418 -10.736 1.00 0.00 C ATOM 566 CG TYR A 36 21.198 16.482 -11.076 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.346 15.945 -12.346 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.127 16.128 -10.103 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.391 15.081 -12.638 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.168 15.274 -10.385 1.00 0.00 C ATOM 571 CZ TYR A 36 23.297 14.750 -11.648 1.00 0.00 C ATOM 572 OH TYR A 36 24.333 13.890 -11.923 1.00 0.00 O ATOM 0 H TYR A 36 18.090 18.564 -9.766 1.00 0.00 H new ATOM 0 HA TYR A 36 18.327 16.318 -11.401 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.904 18.117 -11.560 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.318 18.008 -9.861 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.637 16.203 -13.119 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.029 16.532 -9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.496 14.670 -13.631 1.00 0.00 H new ATOM 0 HE2 TYR A 36 23.881 15.017 -9.616 1.00 0.00 H new ATOM 0 HH TYR A 36 24.877 13.765 -11.117 1.00 0.00 H new ATOM 582 N ARG A 37 19.165 15.814 -8.264 1.00 0.00 N ATOM 583 CA ARG A 37 19.461 14.780 -7.291 1.00 0.00 C ATOM 584 C ARG A 37 18.304 13.775 -7.211 1.00 0.00 C ATOM 585 O ARG A 37 18.520 12.563 -7.127 1.00 0.00 O ATOM 586 CB ARG A 37 19.741 15.396 -5.921 1.00 0.00 C ATOM 587 CG ARG A 37 20.400 14.440 -4.941 1.00 0.00 C ATOM 588 CD ARG A 37 20.669 15.111 -3.607 1.00 0.00 C ATOM 589 NE ARG A 37 21.510 14.292 -2.742 1.00 0.00 N ATOM 590 CZ ARG A 37 21.610 14.446 -1.421 1.00 0.00 C ATOM 591 NH1 ARG A 37 20.829 15.302 -0.784 1.00 0.00 N ATOM 592 NH2 ARG A 37 22.488 13.728 -0.738 1.00 0.00 N ATOM 0 H ARG A 37 19.120 16.758 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 37 20.356 14.247 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.382 16.268 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.803 15.750 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.758 13.572 -4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.337 14.075 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.152 16.073 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.722 15.313 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 37 22.059 13.551 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.143 15.851 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.912 15.414 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 37 23.086 13.059 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.566 13.844 0.272 1.00 0.00 H new ATOM 606 N LYS A 38 17.082 14.293 -7.255 1.00 0.00 N ATOM 607 CA LYS A 38 15.888 13.464 -7.196 1.00 0.00 C ATOM 608 C LYS A 38 15.821 12.529 -8.420 1.00 0.00 C ATOM 609 O LYS A 38 15.555 11.326 -8.296 1.00 0.00 O ATOM 610 CB LYS A 38 14.650 14.365 -7.155 1.00 0.00 C ATOM 611 CG LYS A 38 13.343 13.633 -6.910 1.00 0.00 C ATOM 612 CD LYS A 38 12.173 14.609 -6.872 1.00 0.00 C ATOM 613 CE LYS A 38 10.861 13.902 -6.596 1.00 0.00 C ATOM 614 NZ LYS A 38 10.826 13.341 -5.223 1.00 0.00 N ATOM 0 H LYS A 38 16.893 15.292 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 38 15.922 12.850 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.786 15.111 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.578 14.904 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.181 12.896 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.398 13.088 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.351 15.360 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.109 15.137 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.035 14.601 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.718 13.101 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.859 13.030 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.473 12.529 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.122 14.070 -4.543 1.00 0.00 H new ATOM 628 N LEU A 39 16.076 13.095 -9.597 1.00 0.00 N ATOM 629 CA LEU A 39 16.054 12.344 -10.852 1.00 0.00 C ATOM 630 C LEU A 39 17.152 11.327 -10.874 1.00 0.00 C ATOM 631 O LEU A 39 16.993 10.253 -11.416 1.00 0.00 O ATOM 632 CB LEU A 39 16.196 13.274 -12.022 1.00 0.00 C ATOM 633 CG LEU A 39 15.229 14.418 -12.029 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.487 15.332 -13.193 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.792 13.927 -12.040 1.00 0.00 C ATOM 0 H LEU A 39 16.303 14.083 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 39 15.096 11.829 -10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.210 13.673 -12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.069 12.702 -12.941 1.00 0.00 H new ATOM 0 HG LEU A 39 15.381 14.984 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.772 16.154 -13.175 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.499 15.730 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.377 14.776 -14.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.116 14.782 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.621 13.323 -12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.607 13.323 -11.152 1.00 0.00 H new ATOM 647 N ALA A 40 18.275 11.688 -10.292 1.00 0.00 N ATOM 648 CA ALA A 40 19.425 10.783 -10.204 1.00 0.00 C ATOM 649 C ALA A 40 19.044 9.491 -9.501 1.00 0.00 C ATOM 650 O ALA A 40 19.475 8.405 -9.886 1.00 0.00 O ATOM 651 CB ALA A 40 20.585 11.456 -9.484 1.00 0.00 C ATOM 0 H ALA A 40 18.427 12.603 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 40 19.741 10.541 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.428 10.767 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.882 12.351 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.276 11.732 -8.476 1.00 0.00 H new ATOM 657 N LEU A 41 18.248 9.620 -8.471 1.00 0.00 N ATOM 658 CA LEU A 41 17.747 8.489 -7.736 1.00 0.00 C ATOM 659 C LEU A 41 16.778 7.665 -8.593 1.00 0.00 C ATOM 660 O LEU A 41 16.653 6.461 -8.420 1.00 0.00 O ATOM 661 CB LEU A 41 17.073 8.967 -6.467 1.00 0.00 C ATOM 662 CG LEU A 41 17.984 9.685 -5.468 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.180 10.194 -4.289 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.096 8.762 -4.989 1.00 0.00 C ATOM 0 H LEU A 41 17.927 10.521 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 41 18.583 7.842 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.260 9.640 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.623 8.108 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 41 18.439 10.536 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.843 10.702 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.420 10.892 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.697 9.355 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.730 9.294 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.660 7.890 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.695 8.441 -5.841 1.00 0.00 H new ATOM 676 N LYS A 42 16.059 8.338 -9.472 1.00 0.00 N ATOM 677 CA LYS A 42 15.122 7.689 -10.359 1.00 0.00 C ATOM 678 C LYS A 42 15.816 6.996 -11.553 1.00 0.00 C ATOM 679 O LYS A 42 15.631 5.800 -11.788 1.00 0.00 O ATOM 680 CB LYS A 42 14.156 8.721 -10.867 1.00 0.00 C ATOM 681 CG LYS A 42 13.326 9.349 -9.776 1.00 0.00 C ATOM 682 CD LYS A 42 12.400 8.345 -9.114 1.00 0.00 C ATOM 683 CE LYS A 42 11.585 9.001 -8.015 1.00 0.00 C ATOM 684 NZ LYS A 42 10.614 8.062 -7.415 1.00 0.00 N ATOM 0 H LYS A 42 16.111 9.350 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 42 14.607 6.910 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.710 9.502 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.493 8.259 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.985 9.784 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.736 10.165 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.732 7.914 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.985 7.525 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.254 9.375 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.054 9.862 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.077 8.548 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.959 7.724 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.122 7.252 -7.005 1.00 0.00 H new ATOM 698 N TYR A 43 16.627 7.756 -12.273 1.00 0.00 N ATOM 699 CA TYR A 43 17.291 7.283 -13.506 1.00 0.00 C ATOM 700 C TYR A 43 18.770 7.015 -13.267 1.00 0.00 C ATOM 701 O TYR A 43 19.595 7.405 -14.089 1.00 0.00 O ATOM 702 CB TYR A 43 17.183 8.353 -14.618 1.00 0.00 C ATOM 703 CG TYR A 43 15.782 8.862 -14.919 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.912 8.149 -15.730 1.00 0.00 C ATOM 705 CD2 TYR A 43 15.348 10.080 -14.407 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.649 8.632 -16.022 1.00 0.00 C ATOM 707 CE2 TYR A 43 14.091 10.572 -14.699 1.00 0.00 C ATOM 708 CZ TYR A 43 13.245 9.844 -15.504 1.00 0.00 C ATOM 709 OH TYR A 43 11.996 10.339 -15.808 1.00 0.00 O ATOM 0 H TYR A 43 16.852 8.721 -12.030 1.00 0.00 H new ATOM 0 HA TYR A 43 16.792 6.362 -13.806 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.805 9.203 -14.338 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.603 7.939 -15.535 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.226 7.201 -16.141 1.00 0.00 H new ATOM 0 HD2 TYR A 43 16.006 10.652 -13.769 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.983 8.062 -16.653 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.774 11.523 -14.298 1.00 0.00 H new ATOM 0 HH TYR A 43 11.869 11.202 -15.362 1.00 0.00 H new ATOM 719 N HIS A 44 19.108 6.366 -12.149 1.00 0.00 N ATOM 720 CA HIS A 44 20.503 6.018 -11.841 1.00 0.00 C ATOM 721 C HIS A 44 21.186 5.349 -13.038 1.00 0.00 C ATOM 722 O HIS A 44 20.933 4.191 -13.316 1.00 0.00 O ATOM 723 CB HIS A 44 20.577 5.079 -10.603 1.00 0.00 C ATOM 724 CG HIS A 44 19.363 4.212 -10.377 1.00 0.00 C ATOM 725 ND1 HIS A 44 19.262 2.916 -10.828 1.00 0.00 N ATOM 726 CD2 HIS A 44 18.203 4.463 -9.733 1.00 0.00 C ATOM 727 CE1 HIS A 44 18.092 2.414 -10.468 1.00 0.00 C ATOM 728 NE2 HIS A 44 17.435 3.332 -9.806 1.00 0.00 N ATOM 0 H HIS A 44 18.437 6.070 -11.441 1.00 0.00 H new ATOM 0 HA HIS A 44 21.029 6.946 -11.616 1.00 0.00 H new ATOM 0 HB2 HIS A 44 21.449 4.434 -10.709 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.738 5.689 -9.714 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.930 5.389 -9.248 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.739 1.416 -10.684 1.00 0.00 H new ATOM 0 HE2 HIS A 44 16.502 3.223 -9.409 1.00 0.00 H new ATOM 736 N PRO A 45 22.076 6.079 -13.754 1.00 0.00 N ATOM 737 CA PRO A 45 22.760 5.547 -14.934 1.00 0.00 C ATOM 738 C PRO A 45 23.825 4.542 -14.547 1.00 0.00 C ATOM 739 O PRO A 45 24.265 3.724 -15.362 1.00 0.00 O ATOM 740 CB PRO A 45 23.376 6.783 -15.576 1.00 0.00 C ATOM 741 CG PRO A 45 23.606 7.709 -14.443 1.00 0.00 C ATOM 742 CD PRO A 45 22.498 7.459 -13.451 1.00 0.00 C ATOM 0 HA PRO A 45 22.089 5.011 -15.605 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.308 6.543 -16.088 1.00 0.00 H new ATOM 0 HB3 PRO A 45 22.708 7.221 -16.318 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.581 7.531 -13.989 1.00 0.00 H new ATOM 0 HG3 PRO A 45 23.597 8.745 -14.781 1.00 0.00 H new ATOM 0 HD2 PRO A 45 22.849 7.556 -12.424 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.679 8.167 -13.576 1.00 0.00 H new ATOM 750 N ASP A 46 24.227 4.616 -13.289 1.00 0.00 N ATOM 751 CA ASP A 46 25.197 3.709 -12.716 1.00 0.00 C ATOM 752 C ASP A 46 24.611 2.319 -12.659 1.00 0.00 C ATOM 753 O ASP A 46 25.318 1.320 -12.776 1.00 0.00 O ATOM 754 CB ASP A 46 25.550 4.145 -11.288 1.00 0.00 C ATOM 755 CG ASP A 46 25.877 5.617 -11.176 1.00 0.00 C ATOM 756 OD1 ASP A 46 24.937 6.443 -11.220 1.00 0.00 O ATOM 757 OD2 ASP A 46 27.064 5.958 -11.028 1.00 0.00 O ATOM 0 H ASP A 46 23.883 5.317 -12.633 1.00 0.00 H new ATOM 0 HA ASP A 46 26.094 3.719 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 46 24.714 3.914 -10.628 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.402 3.563 -10.938 1.00 0.00 H new ATOM 762 N LYS A 47 23.304 2.267 -12.455 1.00 0.00 N ATOM 763 CA LYS A 47 22.608 1.023 -12.306 1.00 0.00 C ATOM 764 C LYS A 47 21.750 0.712 -13.540 1.00 0.00 C ATOM 765 O LYS A 47 21.623 -0.443 -13.942 1.00 0.00 O ATOM 766 CB LYS A 47 21.749 1.091 -11.060 1.00 0.00 C ATOM 767 CG LYS A 47 22.530 1.412 -9.791 1.00 0.00 C ATOM 768 CD LYS A 47 23.622 0.389 -9.522 1.00 0.00 C ATOM 769 CE LYS A 47 24.417 0.749 -8.280 1.00 0.00 C ATOM 770 NZ LYS A 47 25.517 -0.213 -8.033 1.00 0.00 N ATOM 0 H LYS A 47 22.707 3.091 -12.390 1.00 0.00 H new ATOM 0 HA LYS A 47 23.335 0.217 -12.209 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.978 1.848 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.238 0.137 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.975 2.403 -9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.846 1.445 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.177 -0.598 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.290 0.332 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.829 1.752 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.752 0.771 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.037 0.066 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.122 -1.166 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.165 -0.215 -8.846 1.00 0.00 H new ATOM 784 N ASN A 48 21.171 1.743 -14.137 1.00 0.00 N ATOM 785 CA ASN A 48 20.373 1.590 -15.346 1.00 0.00 C ATOM 786 C ASN A 48 20.960 2.400 -16.473 1.00 0.00 C ATOM 787 O ASN A 48 20.665 3.587 -16.625 1.00 0.00 O ATOM 788 CB ASN A 48 18.906 1.997 -15.149 1.00 0.00 C ATOM 789 CG ASN A 48 18.120 1.003 -14.318 1.00 0.00 C ATOM 790 OD1 ASN A 48 18.115 1.064 -13.097 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.435 0.087 -14.981 1.00 0.00 N ATOM 0 H ASN A 48 21.240 2.703 -13.801 1.00 0.00 H new ATOM 0 HA ASN A 48 20.394 0.528 -15.592 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.868 2.974 -14.668 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.430 2.103 -16.124 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.878 -0.600 -14.473 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.464 0.067 -16.000 1.00 0.00 H new ATOM 798 N PRO A 49 21.809 1.772 -17.274 1.00 0.00 N ATOM 799 CA PRO A 49 22.399 2.388 -18.435 1.00 0.00 C ATOM 800 C PRO A 49 21.335 2.703 -19.478 1.00 0.00 C ATOM 801 O PRO A 49 21.527 3.542 -20.355 1.00 0.00 O ATOM 802 CB PRO A 49 23.356 1.318 -18.948 1.00 0.00 C ATOM 803 CG PRO A 49 22.833 0.070 -18.404 1.00 0.00 C ATOM 804 CD PRO A 49 22.267 0.421 -17.091 1.00 0.00 C ATOM 0 HA PRO A 49 22.892 3.335 -18.214 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.381 1.297 -20.038 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.376 1.502 -18.610 1.00 0.00 H new ATOM 0 HG2 PRO A 49 22.072 -0.355 -19.059 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.621 -0.676 -18.305 1.00 0.00 H new ATOM 0 HD2 PRO A 49 21.450 -0.246 -16.815 1.00 0.00 H new ATOM 0 HD3 PRO A 49 23.015 0.354 -16.301 1.00 0.00 H new ATOM 812 N ASN A 50 20.203 2.013 -19.356 1.00 0.00 N ATOM 813 CA ASN A 50 19.061 2.208 -20.235 1.00 0.00 C ATOM 814 C ASN A 50 18.484 3.600 -20.038 1.00 0.00 C ATOM 815 O ASN A 50 17.912 4.183 -20.959 1.00 0.00 O ATOM 816 CB ASN A 50 17.972 1.165 -19.943 1.00 0.00 C ATOM 817 CG ASN A 50 18.467 -0.276 -20.007 1.00 0.00 C ATOM 818 OD1 ASN A 50 17.989 -1.131 -19.268 1.00 0.00 O ATOM 819 ND2 ASN A 50 19.407 -0.559 -20.893 1.00 0.00 N ATOM 0 H ASN A 50 20.055 1.301 -18.641 1.00 0.00 H new ATOM 0 HA ASN A 50 19.399 2.093 -21.265 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.558 1.353 -18.953 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.159 1.292 -20.658 1.00 0.00 H new ATOM 0 HD21 ASN A 50 19.757 -1.513 -20.978 1.00 0.00 H new ATOM 0 HD22 ASN A 50 19.782 0.177 -21.492 1.00 0.00 H new ATOM 826 N GLU A 51 18.658 4.138 -18.830 1.00 0.00 N ATOM 827 CA GLU A 51 18.102 5.445 -18.496 1.00 0.00 C ATOM 828 C GLU A 51 19.076 6.576 -18.828 1.00 0.00 C ATOM 829 O GLU A 51 18.744 7.757 -18.692 1.00 0.00 O ATOM 830 CB GLU A 51 17.703 5.506 -17.016 1.00 0.00 C ATOM 831 CG GLU A 51 16.613 4.510 -16.610 1.00 0.00 C ATOM 832 CD GLU A 51 15.319 4.689 -17.375 1.00 0.00 C ATOM 833 OE1 GLU A 51 15.292 4.401 -18.587 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.315 5.107 -16.764 1.00 0.00 O ATOM 0 H GLU A 51 19.176 3.691 -18.073 1.00 0.00 H new ATOM 0 HA GLU A 51 17.210 5.582 -19.107 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.588 5.325 -16.406 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.359 6.515 -16.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.981 3.496 -16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.414 4.616 -15.544 1.00 0.00 H new ATOM 841 N GLY A 52 20.273 6.212 -19.281 1.00 0.00 N ATOM 842 CA GLY A 52 21.278 7.205 -19.625 1.00 0.00 C ATOM 843 C GLY A 52 20.872 8.057 -20.824 1.00 0.00 C ATOM 844 O GLY A 52 21.388 9.165 -21.012 1.00 0.00 O ATOM 0 H GLY A 52 20.566 5.244 -19.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.453 7.853 -18.766 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.221 6.703 -19.843 1.00 0.00 H new ATOM 848 N GLU A 53 19.954 7.532 -21.639 1.00 0.00 N ATOM 849 CA GLU A 53 19.469 8.248 -22.820 1.00 0.00 C ATOM 850 C GLU A 53 18.764 9.544 -22.419 1.00 0.00 C ATOM 851 O GLU A 53 19.104 10.621 -22.910 1.00 0.00 O ATOM 852 CB GLU A 53 18.530 7.358 -23.648 1.00 0.00 C ATOM 853 CG GLU A 53 19.241 6.245 -24.415 1.00 0.00 C ATOM 854 CD GLU A 53 20.170 6.795 -25.472 1.00 0.00 C ATOM 855 OE1 GLU A 53 19.688 7.527 -26.365 1.00 0.00 O ATOM 856 OE2 GLU A 53 21.387 6.524 -25.410 1.00 0.00 O ATOM 0 H GLU A 53 19.532 6.614 -21.502 1.00 0.00 H new ATOM 0 HA GLU A 53 20.331 8.505 -23.436 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.790 6.911 -22.983 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.986 7.983 -24.357 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.809 5.629 -23.718 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.501 5.597 -24.884 1.00 0.00 H new ATOM 863 N LYS A 54 17.789 9.432 -21.528 1.00 0.00 N ATOM 864 CA LYS A 54 17.074 10.565 -21.025 1.00 0.00 C ATOM 865 C LYS A 54 17.988 11.407 -20.124 1.00 0.00 C ATOM 866 O LYS A 54 17.824 12.624 -19.989 1.00 0.00 O ATOM 867 CB LYS A 54 15.837 10.085 -20.293 1.00 0.00 C ATOM 868 CG LYS A 54 14.910 11.195 -19.922 1.00 0.00 C ATOM 869 CD LYS A 54 13.605 10.653 -19.375 1.00 0.00 C ATOM 870 CE LYS A 54 12.577 11.754 -19.105 1.00 0.00 C ATOM 871 NZ LYS A 54 12.980 12.658 -17.997 1.00 0.00 N ATOM 0 H LYS A 54 17.480 8.541 -21.140 1.00 0.00 H new ATOM 0 HA LYS A 54 16.755 11.206 -21.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.305 9.370 -20.920 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.139 9.554 -19.390 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.383 11.835 -19.177 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.712 11.816 -20.796 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.188 9.937 -20.084 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.801 10.109 -18.451 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.433 12.341 -20.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.617 11.297 -18.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.248 13.384 -17.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.092 12.107 -17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.882 13.117 -18.234 1.00 0.00 H new ATOM 885 N PHE A 55 18.951 10.734 -19.505 1.00 0.00 N ATOM 886 CA PHE A 55 19.908 11.374 -18.609 1.00 0.00 C ATOM 887 C PHE A 55 20.766 12.403 -19.354 1.00 0.00 C ATOM 888 O PHE A 55 21.225 13.383 -18.762 1.00 0.00 O ATOM 889 CB PHE A 55 20.799 10.321 -17.942 1.00 0.00 C ATOM 890 CG PHE A 55 21.615 10.848 -16.799 1.00 0.00 C ATOM 891 CD1 PHE A 55 21.052 10.999 -15.545 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.944 11.195 -16.981 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.798 11.486 -14.491 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.693 11.682 -15.934 1.00 0.00 C ATOM 895 CZ PHE A 55 23.120 11.828 -14.685 1.00 0.00 C ATOM 0 H PHE A 55 19.091 9.729 -19.610 1.00 0.00 H new ATOM 0 HA PHE A 55 19.346 11.901 -17.838 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.172 9.505 -17.582 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.470 9.901 -18.691 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.017 10.733 -15.389 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.397 11.082 -17.955 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.347 11.599 -13.516 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.728 11.950 -16.088 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.706 12.209 -13.862 1.00 0.00 H new ATOM 905 N LYS A 56 20.977 12.179 -20.649 1.00 0.00 N ATOM 906 CA LYS A 56 21.738 13.115 -21.478 1.00 0.00 C ATOM 907 C LYS A 56 21.082 14.500 -21.418 1.00 0.00 C ATOM 908 O LYS A 56 21.764 15.533 -21.303 1.00 0.00 O ATOM 909 CB LYS A 56 21.790 12.611 -22.931 1.00 0.00 C ATOM 910 CG LYS A 56 22.610 13.487 -23.874 1.00 0.00 C ATOM 911 CD LYS A 56 22.618 12.929 -25.297 1.00 0.00 C ATOM 912 CE LYS A 56 23.443 13.803 -26.236 1.00 0.00 C ATOM 913 NZ LYS A 56 23.450 13.274 -27.625 1.00 0.00 N ATOM 0 H LYS A 56 20.633 11.359 -21.148 1.00 0.00 H new ATOM 0 HA LYS A 56 22.758 13.186 -21.100 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.205 11.603 -22.938 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.772 12.539 -23.314 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.201 14.497 -23.881 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.633 13.560 -23.506 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.024 11.917 -25.290 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.595 12.860 -25.667 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.041 14.816 -26.236 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.467 13.866 -25.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.022 13.897 -28.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.857 12.317 -27.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.476 13.237 -27.987 1.00 0.00 H new ATOM 927 N GLN A 57 19.757 14.504 -21.470 1.00 0.00 N ATOM 928 CA GLN A 57 18.978 15.705 -21.371 1.00 0.00 C ATOM 929 C GLN A 57 19.210 16.368 -20.026 1.00 0.00 C ATOM 930 O GLN A 57 19.487 17.569 -19.939 1.00 0.00 O ATOM 931 CB GLN A 57 17.525 15.320 -21.439 1.00 0.00 C ATOM 932 CG GLN A 57 17.086 14.726 -22.751 1.00 0.00 C ATOM 933 CD GLN A 57 15.639 14.271 -22.722 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.125 13.861 -21.682 1.00 0.00 O ATOM 935 NE2 GLN A 57 14.974 14.338 -23.859 1.00 0.00 N ATOM 0 H GLN A 57 19.198 13.658 -21.584 1.00 0.00 H new ATOM 0 HA GLN A 57 19.259 16.387 -22.174 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.317 14.603 -20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 57 16.920 16.204 -21.237 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.217 15.463 -23.543 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.726 13.878 -22.996 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.436 14.684 -24.700 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.998 14.044 -23.897 1.00 0.00 H new ATOM 944 N ILE A 58 19.114 15.553 -18.983 1.00 0.00 N ATOM 945 CA ILE A 58 19.212 16.019 -17.612 1.00 0.00 C ATOM 946 C ILE A 58 20.575 16.626 -17.318 1.00 0.00 C ATOM 947 O ILE A 58 20.663 17.691 -16.719 1.00 0.00 O ATOM 948 CB ILE A 58 18.939 14.859 -16.613 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.498 14.387 -16.724 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.215 15.299 -15.196 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.210 13.094 -15.989 1.00 0.00 C ATOM 0 H ILE A 58 18.965 14.547 -19.068 1.00 0.00 H new ATOM 0 HA ILE A 58 18.455 16.793 -17.486 1.00 0.00 H new ATOM 0 HB ILE A 58 19.607 14.035 -16.866 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.841 15.166 -16.337 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.250 14.256 -17.777 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.018 14.472 -14.513 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.258 15.603 -15.106 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.569 16.140 -14.944 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.161 12.828 -16.119 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.838 12.299 -16.391 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.423 13.223 -14.928 1.00 0.00 H new ATOM 963 N SER A 59 21.626 15.960 -17.759 1.00 0.00 N ATOM 964 CA SER A 59 22.975 16.415 -17.483 1.00 0.00 C ATOM 965 C SER A 59 23.262 17.797 -18.085 1.00 0.00 C ATOM 966 O SER A 59 23.841 18.650 -17.418 1.00 0.00 O ATOM 967 CB SER A 59 24.005 15.395 -17.969 1.00 0.00 C ATOM 968 OG SER A 59 25.322 15.809 -17.645 1.00 0.00 O ATOM 0 H SER A 59 21.571 15.103 -18.309 1.00 0.00 H new ATOM 0 HA SER A 59 23.059 16.512 -16.401 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.803 14.425 -17.516 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.915 15.268 -19.048 1.00 0.00 H new ATOM 0 HG SER A 59 25.963 15.140 -17.964 1.00 0.00 H new ATOM 974 N GLN A 60 22.858 18.018 -19.339 1.00 0.00 N ATOM 975 CA GLN A 60 23.102 19.285 -19.998 1.00 0.00 C ATOM 976 C GLN A 60 22.344 20.411 -19.329 1.00 0.00 C ATOM 977 O GLN A 60 22.923 21.453 -18.982 1.00 0.00 O ATOM 978 CB GLN A 60 22.688 19.188 -21.438 1.00 0.00 C ATOM 979 CG GLN A 60 23.484 18.189 -22.247 1.00 0.00 C ATOM 980 CD GLN A 60 23.050 18.136 -23.700 1.00 0.00 C ATOM 981 OE1 GLN A 60 23.554 18.881 -24.540 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.113 17.256 -24.004 1.00 0.00 N ATOM 0 H GLN A 60 22.363 17.332 -19.909 1.00 0.00 H new ATOM 0 HA GLN A 60 24.167 19.505 -19.928 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.633 18.917 -21.483 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.785 20.171 -21.899 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.542 18.447 -22.197 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.376 17.199 -21.803 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.721 16.657 -23.278 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.781 17.176 -24.965 1.00 0.00 H new ATOM 991 N ALA A 61 21.057 20.203 -19.137 1.00 0.00 N ATOM 992 CA ALA A 61 20.223 21.202 -18.497 1.00 0.00 C ATOM 993 C ALA A 61 20.714 21.467 -17.085 1.00 0.00 C ATOM 994 O ALA A 61 20.840 22.607 -16.685 1.00 0.00 O ATOM 995 CB ALA A 61 18.772 20.768 -18.515 1.00 0.00 C ATOM 0 H ALA A 61 20.566 19.353 -19.414 1.00 0.00 H new ATOM 0 HA ALA A 61 20.292 22.137 -19.053 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.159 21.528 -18.031 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.443 20.639 -19.546 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.668 19.824 -17.981 1.00 0.00 H new ATOM 1001 N TYR A 62 21.035 20.403 -16.350 1.00 0.00 N ATOM 1002 CA TYR A 62 21.594 20.544 -15.016 1.00 0.00 C ATOM 1003 C TYR A 62 22.890 21.357 -15.042 1.00 0.00 C ATOM 1004 O TYR A 62 23.126 22.168 -14.157 1.00 0.00 O ATOM 1005 CB TYR A 62 21.854 19.175 -14.370 1.00 0.00 C ATOM 1006 CG TYR A 62 22.662 19.249 -13.079 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.126 19.800 -11.919 1.00 0.00 C ATOM 1008 CD2 TYR A 62 23.968 18.764 -13.032 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.868 19.867 -10.752 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.712 18.826 -11.870 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.158 19.378 -10.734 1.00 0.00 C ATOM 1012 OH TYR A 62 24.901 19.443 -9.569 1.00 0.00 O ATOM 0 H TYR A 62 20.916 19.438 -16.659 1.00 0.00 H new ATOM 0 HA TYR A 62 20.857 21.077 -14.416 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.898 18.694 -14.163 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.382 18.541 -15.083 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.116 20.181 -11.929 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.406 18.332 -13.920 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.439 20.300 -9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.722 18.444 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 62 25.788 19.055 -9.724 1.00 0.00 H new ATOM 1022 N GLU A 63 23.716 21.130 -16.061 1.00 0.00 N ATOM 1023 CA GLU A 63 25.007 21.803 -16.170 1.00 0.00 C ATOM 1024 C GLU A 63 24.849 23.314 -16.050 1.00 0.00 C ATOM 1025 O GLU A 63 25.556 23.967 -15.287 1.00 0.00 O ATOM 1026 CB GLU A 63 25.670 21.463 -17.494 1.00 0.00 C ATOM 1027 CG GLU A 63 27.106 21.919 -17.591 1.00 0.00 C ATOM 1028 CD GLU A 63 27.591 21.974 -19.013 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.033 20.939 -19.548 1.00 0.00 O ATOM 1030 OE2 GLU A 63 27.543 23.071 -19.603 1.00 0.00 O ATOM 0 H GLU A 63 23.513 20.484 -16.824 1.00 0.00 H new ATOM 0 HA GLU A 63 25.636 21.453 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.630 20.384 -17.643 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.099 21.918 -18.303 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.203 22.905 -17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.740 21.241 -17.019 1.00 0.00 H new ATOM 1037 N VAL A 64 23.931 23.856 -16.812 1.00 0.00 N ATOM 1038 CA VAL A 64 23.635 25.280 -16.782 1.00 0.00 C ATOM 1039 C VAL A 64 22.695 25.653 -15.607 1.00 0.00 C ATOM 1040 O VAL A 64 22.853 26.694 -14.998 1.00 0.00 O ATOM 1041 CB VAL A 64 23.073 25.737 -18.152 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.647 24.549 -18.977 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.929 26.690 -17.993 1.00 0.00 C ATOM 0 H VAL A 64 23.363 23.327 -17.474 1.00 0.00 H new ATOM 0 HA VAL A 64 24.566 25.819 -16.604 1.00 0.00 H new ATOM 0 HB VAL A 64 23.875 26.261 -18.672 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.256 24.893 -19.935 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.505 23.898 -19.148 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.872 23.996 -18.446 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.563 26.987 -18.976 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.126 26.205 -17.438 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.264 27.573 -17.449 1.00 0.00 H new ATOM 1053 N LEU A 65 21.745 24.780 -15.293 1.00 0.00 N ATOM 1054 CA LEU A 65 20.781 25.013 -14.202 1.00 0.00 C ATOM 1055 C LEU A 65 21.474 25.089 -12.835 1.00 0.00 C ATOM 1056 O LEU A 65 21.059 25.841 -11.965 1.00 0.00 O ATOM 1057 CB LEU A 65 19.643 23.962 -14.222 1.00 0.00 C ATOM 1058 CG LEU A 65 18.385 24.327 -15.081 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.755 24.871 -16.457 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.461 23.122 -15.234 1.00 0.00 C ATOM 0 H LEU A 65 21.614 23.893 -15.779 1.00 0.00 H new ATOM 0 HA LEU A 65 20.322 25.987 -14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.051 23.021 -14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.319 23.787 -13.196 1.00 0.00 H new ATOM 0 HG LEU A 65 17.862 25.117 -14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.847 25.108 -17.011 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.356 25.773 -16.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.327 24.121 -17.003 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.595 23.401 -15.834 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.998 22.312 -15.727 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.129 22.791 -14.250 1.00 0.00 H new ATOM 1072 N SER A 66 22.540 24.329 -12.663 1.00 0.00 N ATOM 1073 CA SER A 66 23.276 24.315 -11.402 1.00 0.00 C ATOM 1074 C SER A 66 24.045 25.624 -11.174 1.00 0.00 C ATOM 1075 O SER A 66 24.581 25.860 -10.087 1.00 0.00 O ATOM 1076 CB SER A 66 24.237 23.124 -11.358 1.00 0.00 C ATOM 1077 OG SER A 66 25.085 23.103 -12.499 1.00 0.00 O ATOM 0 H SER A 66 22.920 23.710 -13.379 1.00 0.00 H new ATOM 0 HA SER A 66 22.545 24.216 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.842 23.176 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.668 22.196 -11.308 1.00 0.00 H new ATOM 0 HG SER A 66 24.605 22.707 -13.256 1.00 0.00 H new ATOM 1083 N ASP A 67 24.097 26.472 -12.193 1.00 0.00 N ATOM 1084 CA ASP A 67 24.778 27.747 -12.086 1.00 0.00 C ATOM 1085 C ASP A 67 23.888 28.861 -12.599 1.00 0.00 C ATOM 1086 O ASP A 67 23.602 28.941 -13.793 1.00 0.00 O ATOM 1087 CB ASP A 67 26.086 27.731 -12.859 1.00 0.00 C ATOM 1088 CG ASP A 67 26.839 29.031 -12.720 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.446 29.259 -11.651 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.835 29.826 -13.671 1.00 0.00 O ATOM 0 H ASP A 67 23.673 26.295 -13.104 1.00 0.00 H new ATOM 0 HA ASP A 67 25.002 27.924 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.709 26.911 -12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.882 27.541 -13.913 1.00 0.00 H new ATOM 1095 N ALA A 68 23.462 29.727 -11.692 1.00 0.00 N ATOM 1096 CA ALA A 68 22.557 30.829 -12.019 1.00 0.00 C ATOM 1097 C ALA A 68 23.066 31.678 -13.187 1.00 0.00 C ATOM 1098 O ALA A 68 22.272 32.216 -13.961 1.00 0.00 O ATOM 1099 CB ALA A 68 22.326 31.703 -10.797 1.00 0.00 C ATOM 0 H ALA A 68 23.731 29.690 -10.709 1.00 0.00 H new ATOM 0 HA ALA A 68 21.612 30.384 -12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.651 32.519 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.884 31.105 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.277 32.113 -10.458 1.00 0.00 H new ATOM 1105 N LYS A 69 24.382 31.799 -13.315 1.00 0.00 N ATOM 1106 CA LYS A 69 24.955 32.606 -14.376 1.00 0.00 C ATOM 1107 C LYS A 69 24.757 31.952 -15.738 1.00 0.00 C ATOM 1108 O LYS A 69 24.294 32.602 -16.675 1.00 0.00 O ATOM 1109 CB LYS A 69 26.436 32.911 -14.125 1.00 0.00 C ATOM 1110 CG LYS A 69 27.049 33.840 -15.164 1.00 0.00 C ATOM 1111 CD LYS A 69 28.497 34.166 -14.841 1.00 0.00 C ATOM 1112 CE LYS A 69 29.097 35.108 -15.880 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.507 35.447 -15.575 1.00 0.00 N ATOM 0 H LYS A 69 25.064 31.352 -12.702 1.00 0.00 H new ATOM 0 HA LYS A 69 24.422 33.557 -14.377 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.544 33.361 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.994 31.975 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.992 33.374 -16.148 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.471 34.763 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.558 34.624 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.079 33.246 -14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.041 34.644 -16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.506 36.023 -15.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.876 36.089 -16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.559 35.913 -14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.077 34.577 -15.558 1.00 0.00 H new ATOM 1127 N LYS A 70 25.073 30.657 -15.845 1.00 0.00 N ATOM 1128 CA LYS A 70 24.912 29.953 -17.095 1.00 0.00 C ATOM 1129 C LYS A 70 23.449 29.899 -17.460 1.00 0.00 C ATOM 1130 O LYS A 70 23.083 30.012 -18.632 1.00 0.00 O ATOM 1131 CB LYS A 70 25.502 28.553 -17.005 1.00 0.00 C ATOM 1132 CG LYS A 70 27.010 28.556 -16.806 1.00 0.00 C ATOM 1133 CD LYS A 70 27.562 27.154 -16.651 1.00 0.00 C ATOM 1134 CE LYS A 70 27.381 26.340 -17.924 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.037 25.020 -17.823 1.00 0.00 N ATOM 0 H LYS A 70 25.438 30.090 -15.080 1.00 0.00 H new ATOM 0 HA LYS A 70 25.450 30.489 -17.877 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.033 28.019 -16.178 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.262 28.004 -17.916 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.487 29.042 -17.657 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.258 29.144 -15.922 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.621 27.205 -16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.060 26.653 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.318 26.204 -18.122 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.795 26.889 -18.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.594 24.360 -18.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.048 25.117 -18.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.931 24.653 -16.856 1.00 0.00 H new ATOM 1149 N ARG A 71 22.619 29.725 -16.442 1.00 0.00 N ATOM 1150 CA ARG A 71 21.173 29.696 -16.600 1.00 0.00 C ATOM 1151 C ARG A 71 20.661 30.990 -17.217 1.00 0.00 C ATOM 1152 O ARG A 71 19.841 30.970 -18.129 1.00 0.00 O ATOM 1153 CB ARG A 71 20.505 29.473 -15.245 1.00 0.00 C ATOM 1154 CG ARG A 71 18.990 29.435 -15.305 1.00 0.00 C ATOM 1155 CD ARG A 71 18.388 29.245 -13.929 1.00 0.00 C ATOM 1156 NE ARG A 71 16.932 29.291 -13.970 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.153 29.423 -12.902 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.689 29.499 -11.691 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.840 29.491 -13.046 1.00 0.00 N ATOM 0 H ARG A 71 22.931 29.599 -15.479 1.00 0.00 H new ATOM 0 HA ARG A 71 20.923 28.874 -17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.866 28.535 -14.823 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.812 30.267 -14.565 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.618 30.362 -15.742 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.670 28.624 -15.959 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.711 28.288 -13.519 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.758 30.021 -13.259 1.00 0.00 H new ATOM 0 HE ARG A 71 16.480 29.217 -14.881 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.702 29.456 -11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.088 29.600 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.426 29.442 -13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.242 29.592 -12.226 1.00 0.00 H new ATOM 1173 N GLU A 72 21.182 32.104 -16.737 1.00 0.00 N ATOM 1174 CA GLU A 72 20.749 33.400 -17.170 1.00 0.00 C ATOM 1175 C GLU A 72 21.116 33.626 -18.618 1.00 0.00 C ATOM 1176 O GLU A 72 20.306 34.113 -19.410 1.00 0.00 O ATOM 1177 CB GLU A 72 21.383 34.467 -16.275 1.00 0.00 C ATOM 1178 CG GLU A 72 21.056 35.874 -16.684 1.00 0.00 C ATOM 1179 CD GLU A 72 21.678 36.914 -15.774 1.00 0.00 C ATOM 1180 OE1 GLU A 72 22.877 37.217 -15.933 1.00 0.00 O ATOM 1181 OE2 GLU A 72 20.973 37.425 -14.884 1.00 0.00 O ATOM 0 H GLU A 72 21.920 32.125 -16.033 1.00 0.00 H new ATOM 0 HA GLU A 72 19.664 33.465 -17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.051 34.311 -15.249 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.465 34.338 -16.283 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.401 36.039 -17.705 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.974 36.003 -16.688 1.00 0.00 H new ATOM 1188 N LEU A 73 22.328 33.253 -18.965 1.00 0.00 N ATOM 1189 CA LEU A 73 22.815 33.417 -20.298 1.00 0.00 C ATOM 1190 C LEU A 73 22.043 32.506 -21.246 1.00 0.00 C ATOM 1191 O LEU A 73 21.697 32.893 -22.359 1.00 0.00 O ATOM 1192 CB LEU A 73 24.300 33.096 -20.335 1.00 0.00 C ATOM 1193 CG LEU A 73 25.155 33.775 -19.253 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.630 33.542 -19.497 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.834 35.259 -19.140 1.00 0.00 C ATOM 0 H LEU A 73 22.997 32.828 -18.323 1.00 0.00 H new ATOM 0 HA LEU A 73 22.670 34.449 -20.619 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.422 32.017 -20.245 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.690 33.380 -21.312 1.00 0.00 H new ATOM 0 HG LEU A 73 24.904 33.317 -18.296 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.210 34.034 -18.716 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.837 32.472 -19.483 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.907 33.952 -20.468 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.456 35.708 -18.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.032 35.748 -20.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.783 35.385 -18.879 1.00 0.00 H new ATOM 1207 N TYR A 74 21.778 31.291 -20.780 1.00 0.00 N ATOM 1208 CA TYR A 74 21.053 30.299 -21.557 1.00 0.00 C ATOM 1209 C TYR A 74 19.636 30.790 -21.869 1.00 0.00 C ATOM 1210 O TYR A 74 19.183 30.718 -23.008 1.00 0.00 O ATOM 1211 CB TYR A 74 21.003 28.980 -20.788 1.00 0.00 C ATOM 1212 CG TYR A 74 20.898 27.752 -21.666 1.00 0.00 C ATOM 1213 CD1 TYR A 74 22.039 27.194 -22.236 1.00 0.00 C ATOM 1214 CD2 TYR A 74 19.680 27.141 -21.916 1.00 0.00 C ATOM 1215 CE1 TYR A 74 21.966 26.068 -23.026 1.00 0.00 C ATOM 1216 CE2 TYR A 74 19.600 26.014 -22.708 1.00 0.00 C ATOM 1217 CZ TYR A 74 20.747 25.482 -23.261 1.00 0.00 C ATOM 1218 OH TYR A 74 20.670 24.355 -24.052 1.00 0.00 O ATOM 0 H TYR A 74 22.060 30.969 -19.854 1.00 0.00 H new ATOM 0 HA TYR A 74 21.573 30.141 -22.502 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.899 28.897 -20.173 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.151 29.001 -20.109 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.000 27.653 -22.055 1.00 0.00 H new ATOM 0 HD2 TYR A 74 18.780 27.553 -21.485 1.00 0.00 H new ATOM 0 HE1 TYR A 74 22.863 25.649 -23.458 1.00 0.00 H new ATOM 0 HE2 TYR A 74 18.643 25.550 -22.895 1.00 0.00 H new ATOM 0 HH TYR A 74 19.729 24.130 -24.210 1.00 0.00 H new ATOM 1228 N ASP A 75 18.943 31.297 -20.840 1.00 0.00 N ATOM 1229 CA ASP A 75 17.576 31.834 -21.005 1.00 0.00 C ATOM 1230 C ASP A 75 17.555 33.087 -21.870 1.00 0.00 C ATOM 1231 O ASP A 75 16.518 33.450 -22.432 1.00 0.00 O ATOM 1232 CB ASP A 75 16.900 32.117 -19.655 1.00 0.00 C ATOM 1233 CG ASP A 75 16.172 30.911 -19.082 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.344 30.309 -19.815 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.385 30.581 -17.894 1.00 0.00 O ATOM 0 H ASP A 75 19.301 31.349 -19.886 1.00 0.00 H new ATOM 0 HA ASP A 75 17.007 31.057 -21.515 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.654 32.450 -18.942 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.192 32.937 -19.776 1.00 0.00 H new ATOM 1240 N LYS A 76 18.692 33.757 -21.968 1.00 0.00 N ATOM 1241 CA LYS A 76 18.796 34.959 -22.779 1.00 0.00 C ATOM 1242 C LYS A 76 18.960 34.594 -24.259 1.00 0.00 C ATOM 1243 O LYS A 76 18.827 35.445 -25.143 1.00 0.00 O ATOM 1244 CB LYS A 76 19.983 35.806 -22.305 1.00 0.00 C ATOM 1245 CG LYS A 76 20.117 37.149 -23.004 1.00 0.00 C ATOM 1246 CD LYS A 76 21.301 37.933 -22.470 1.00 0.00 C ATOM 1247 CE LYS A 76 21.425 39.280 -23.157 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.583 40.053 -22.650 1.00 0.00 N ATOM 0 H LYS A 76 19.556 33.489 -21.496 1.00 0.00 H new ATOM 0 HA LYS A 76 17.880 35.539 -22.668 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.886 35.977 -21.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.901 35.239 -22.456 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.235 36.993 -24.076 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.203 37.727 -22.865 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.188 38.079 -21.396 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.216 37.360 -22.620 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.530 39.131 -24.232 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.510 39.852 -23.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.633 40.967 -23.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.471 40.217 -21.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.459 39.518 -22.821 1.00 0.00 H new ATOM 1262 N GLY A 77 19.239 33.326 -24.518 1.00 0.00 N ATOM 1263 CA GLY A 77 19.418 32.862 -25.875 1.00 0.00 C ATOM 1264 C GLY A 77 18.098 32.580 -26.562 1.00 0.00 C ATOM 1265 O GLY A 77 17.572 31.460 -26.413 1.00 0.00 O ATOM 1266 OXT GLY A 77 17.582 33.479 -27.265 1.00 0.00 O ATOM 0 H GLY A 77 19.345 32.605 -23.804 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.969 33.611 -26.444 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.024 31.956 -25.870 1.00 0.00 H new TER 1270 GLY A 77