USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 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 17 TYR OH : rot 180:sc= 1.01 USER MOD Set 1.2: A 74 TYR OH : rot 78:sc= 1.32 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0607 (180deg=-0.409) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.179 (180deg=-0.203) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) 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=-0.03) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00522 X(o=-0.0052,f=-0.0052) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc=-0.00716 X(o=-0.0072,f=0) 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 -68:sc= 0.623 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 18 TYR OH : rot 110:sc= 1.04 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc=-0.00932 (180deg=-0.124) USER MOD Single : A 26 ASN : amide:sc= 0.112 K(o=0.11,f=-4.2!) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.965 USER MOD Single : A 29 GLN : amide:sc= 0.138 K(o=0.14,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -149:sc= 0.61 (180deg=-0.947!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 50 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 1.18 (180deg=-0.422!) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00636 (180deg=-0.104) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 SER OG : rot 71:sc= 1.24 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -80:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0.231 (180deg=-0.363) USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= 0.169 (180deg=-0.257) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.973 1.221 -14.157 1.00 0.00 N ATOM 2 CA MET A 1 -4.622 1.156 -12.723 1.00 0.00 C ATOM 3 C MET A 1 -5.504 2.097 -11.896 1.00 0.00 C ATOM 4 O MET A 1 -5.263 2.294 -10.702 1.00 0.00 O ATOM 5 CB MET A 1 -3.143 1.519 -12.506 1.00 0.00 C ATOM 6 CG MET A 1 -2.160 0.540 -13.127 1.00 0.00 C ATOM 7 SD MET A 1 -0.439 0.947 -12.756 1.00 0.00 S ATOM 8 CE MET A 1 -0.266 2.517 -13.614 1.00 0.00 C ATOM 0 H1 MET A 1 -4.396 0.537 -14.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.980 0.992 -14.279 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.791 2.180 -14.516 1.00 0.00 H new ATOM 0 HA MET A 1 -4.792 0.132 -12.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.960 2.511 -12.920 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.949 1.580 -11.435 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.377 -0.465 -12.765 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.301 0.527 -14.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.792 2.757 -13.724 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.726 2.446 -14.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.759 3.302 -13.040 1.00 0.00 H new ATOM 20 N GLY A 2 -6.523 2.678 -12.529 1.00 0.00 N ATOM 21 CA GLY A 2 -7.421 3.579 -11.821 1.00 0.00 C ATOM 22 C GLY A 2 -6.779 4.918 -11.526 1.00 0.00 C ATOM 23 O GLY A 2 -6.964 5.480 -10.447 1.00 0.00 O ATOM 0 H GLY A 2 -6.742 2.542 -13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.321 3.734 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.734 3.115 -10.886 1.00 0.00 H new ATOM 27 N HIS A 3 -6.013 5.420 -12.475 1.00 0.00 N ATOM 28 CA HIS A 3 -5.314 6.688 -12.313 1.00 0.00 C ATOM 29 C HIS A 3 -5.104 7.360 -13.672 1.00 0.00 C ATOM 30 O HIS A 3 -4.737 6.699 -14.650 1.00 0.00 O ATOM 31 CB HIS A 3 -3.963 6.457 -11.612 1.00 0.00 C ATOM 32 CG HIS A 3 -3.202 7.715 -11.298 1.00 0.00 C ATOM 33 ND1 HIS A 3 -2.033 8.069 -11.940 1.00 0.00 N ATOM 34 CD2 HIS A 3 -3.444 8.702 -10.398 1.00 0.00 C ATOM 35 CE1 HIS A 3 -1.590 9.215 -11.447 1.00 0.00 C ATOM 36 NE2 HIS A 3 -2.429 9.618 -10.513 1.00 0.00 N ATOM 0 H HIS A 3 -5.856 4.967 -13.375 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.922 7.349 -11.695 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.138 5.912 -10.685 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.344 5.821 -12.244 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.281 8.756 -9.717 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.694 9.732 -11.757 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.338 10.473 -9.964 1.00 0.00 H new ATOM 44 N HIS A 4 -5.366 8.657 -13.735 1.00 0.00 N ATOM 45 CA HIS A 4 -5.175 9.417 -14.964 1.00 0.00 C ATOM 46 C HIS A 4 -3.723 9.831 -15.117 1.00 0.00 C ATOM 47 O HIS A 4 -3.070 10.198 -14.135 1.00 0.00 O ATOM 48 CB HIS A 4 -6.090 10.650 -15.005 1.00 0.00 C ATOM 49 CG HIS A 4 -7.532 10.327 -15.242 1.00 0.00 C ATOM 50 ND1 HIS A 4 -8.426 10.057 -14.228 1.00 0.00 N ATOM 51 CD2 HIS A 4 -8.233 10.226 -16.393 1.00 0.00 C ATOM 52 CE1 HIS A 4 -9.613 9.804 -14.750 1.00 0.00 C ATOM 53 NE2 HIS A 4 -9.522 9.900 -16.060 1.00 0.00 N ATOM 0 H HIS A 4 -5.712 9.207 -12.949 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.443 8.770 -15.799 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.999 11.190 -14.062 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.744 11.321 -15.791 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.848 10.375 -17.391 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -10.507 9.560 -14.196 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -10.286 9.755 -16.720 1.00 0.00 H new ATOM 61 N HIS A 5 -3.236 9.788 -16.361 1.00 0.00 N ATOM 62 CA HIS A 5 -1.839 10.096 -16.696 1.00 0.00 C ATOM 63 C HIS A 5 -0.910 8.993 -16.206 1.00 0.00 C ATOM 64 O HIS A 5 -0.472 8.990 -15.056 1.00 0.00 O ATOM 65 CB HIS A 5 -1.406 11.473 -16.162 1.00 0.00 C ATOM 66 CG HIS A 5 -2.019 12.625 -16.902 1.00 0.00 C ATOM 67 ND1 HIS A 5 -3.335 13.013 -16.746 1.00 0.00 N ATOM 68 CD2 HIS A 5 -1.494 13.470 -17.819 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.588 14.042 -17.535 1.00 0.00 C ATOM 70 NE2 HIS A 5 -2.488 14.339 -18.194 1.00 0.00 N ATOM 0 H HIS A 5 -3.803 9.537 -17.171 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.767 10.143 -17.783 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -1.674 11.545 -15.108 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.320 11.551 -16.221 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.479 13.462 -18.188 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.536 14.552 -17.624 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -2.390 15.093 -18.874 1.00 0.00 H new ATOM 78 N HIS A 6 -0.632 8.045 -17.085 1.00 0.00 N ATOM 79 CA HIS A 6 0.219 6.912 -16.746 1.00 0.00 C ATOM 80 C HIS A 6 1.670 7.348 -16.636 1.00 0.00 C ATOM 81 O HIS A 6 2.184 8.018 -17.518 1.00 0.00 O ATOM 82 CB HIS A 6 0.089 5.802 -17.795 1.00 0.00 C ATOM 83 CG HIS A 6 -1.278 5.211 -17.889 1.00 0.00 C ATOM 84 ND1 HIS A 6 -2.077 5.342 -19.000 1.00 0.00 N ATOM 85 CD2 HIS A 6 -1.984 4.477 -17.007 1.00 0.00 C ATOM 86 CE1 HIS A 6 -3.219 4.710 -18.797 1.00 0.00 C ATOM 87 NE2 HIS A 6 -3.186 4.177 -17.593 1.00 0.00 N ATOM 0 H HIS A 6 -0.984 8.036 -18.042 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.108 6.523 -15.782 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.368 6.203 -18.769 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.800 5.010 -17.561 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.662 4.180 -16.020 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.038 4.642 -19.497 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.934 3.630 -17.166 1.00 0.00 H new ATOM 95 N HIS A 7 2.327 6.944 -15.557 1.00 0.00 N ATOM 96 CA HIS A 7 3.728 7.309 -15.325 1.00 0.00 C ATOM 97 C HIS A 7 4.661 6.542 -16.252 1.00 0.00 C ATOM 98 O HIS A 7 5.822 6.908 -16.417 1.00 0.00 O ATOM 99 CB HIS A 7 4.122 7.052 -13.870 1.00 0.00 C ATOM 100 CG HIS A 7 3.465 7.974 -12.898 1.00 0.00 C ATOM 101 ND1 HIS A 7 2.642 7.532 -11.883 1.00 0.00 N ATOM 102 CD2 HIS A 7 3.512 9.319 -12.777 1.00 0.00 C ATOM 103 CE1 HIS A 7 2.215 8.566 -11.185 1.00 0.00 C ATOM 104 NE2 HIS A 7 2.728 9.659 -11.708 1.00 0.00 N ATOM 0 H HIS A 7 1.917 6.363 -14.826 1.00 0.00 H new ATOM 0 HA HIS A 7 3.826 8.373 -15.538 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.868 6.024 -13.610 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.204 7.148 -13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.066 9.999 -13.407 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.557 8.523 -10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.567 10.608 -11.371 1.00 0.00 H new ATOM 112 N HIS A 8 4.139 5.484 -16.855 1.00 0.00 N ATOM 113 CA HIS A 8 4.912 4.671 -17.788 1.00 0.00 C ATOM 114 C HIS A 8 4.924 5.325 -19.169 1.00 0.00 C ATOM 115 O HIS A 8 5.657 4.913 -20.068 1.00 0.00 O ATOM 116 CB HIS A 8 4.321 3.254 -17.865 1.00 0.00 C ATOM 117 CG HIS A 8 5.185 2.273 -18.601 1.00 0.00 C ATOM 118 ND1 HIS A 8 6.327 1.732 -18.059 1.00 0.00 N ATOM 119 CD2 HIS A 8 5.075 1.743 -19.841 1.00 0.00 C ATOM 120 CE1 HIS A 8 6.883 0.912 -18.936 1.00 0.00 C ATOM 121 NE2 HIS A 8 6.143 0.905 -20.021 1.00 0.00 N ATOM 0 H HIS A 8 3.180 5.166 -16.715 1.00 0.00 H new ATOM 0 HA HIS A 8 5.940 4.599 -17.432 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.152 2.886 -16.853 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.348 3.303 -18.353 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.291 1.944 -20.556 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.790 0.345 -18.785 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.333 0.362 -20.863 1.00 0.00 H new ATOM 129 N SER A 9 4.115 6.353 -19.319 1.00 0.00 N ATOM 130 CA SER A 9 3.999 7.064 -20.566 1.00 0.00 C ATOM 131 C SER A 9 4.370 8.524 -20.338 1.00 0.00 C ATOM 132 O SER A 9 4.443 8.977 -19.189 1.00 0.00 O ATOM 133 CB SER A 9 2.561 6.944 -21.103 1.00 0.00 C ATOM 134 OG SER A 9 2.442 7.481 -22.411 1.00 0.00 O ATOM 0 H SER A 9 3.520 6.717 -18.575 1.00 0.00 H new ATOM 0 HA SER A 9 4.675 6.635 -21.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.262 5.896 -21.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.878 7.465 -20.432 1.00 0.00 H new ATOM 0 HG SER A 9 1.517 7.386 -22.721 1.00 0.00 H new ATOM 140 N HIS A 10 4.637 9.244 -21.405 1.00 0.00 N ATOM 141 CA HIS A 10 4.999 10.646 -21.301 1.00 0.00 C ATOM 142 C HIS A 10 4.569 11.427 -22.533 1.00 0.00 C ATOM 143 O HIS A 10 4.899 11.060 -23.661 1.00 0.00 O ATOM 144 CB HIS A 10 6.509 10.821 -21.036 1.00 0.00 C ATOM 145 CG HIS A 10 7.411 10.023 -21.937 1.00 0.00 C ATOM 146 ND1 HIS A 10 8.002 8.840 -21.549 1.00 0.00 N ATOM 147 CD2 HIS A 10 7.829 10.246 -23.206 1.00 0.00 C ATOM 148 CE1 HIS A 10 8.742 8.372 -22.537 1.00 0.00 C ATOM 149 NE2 HIS A 10 8.653 9.207 -23.552 1.00 0.00 N ATOM 0 H HIS A 10 4.611 8.883 -22.359 1.00 0.00 H new ATOM 0 HA HIS A 10 4.461 11.054 -20.445 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.760 11.877 -21.139 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.715 10.543 -20.002 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.562 11.087 -23.829 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.321 7.461 -22.517 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.122 9.098 -24.451 1.00 0.00 H new ATOM 157 N MET A 11 3.827 12.490 -22.311 1.00 0.00 N ATOM 158 CA MET A 11 3.355 13.341 -23.390 1.00 0.00 C ATOM 159 C MET A 11 4.315 14.499 -23.583 1.00 0.00 C ATOM 160 O MET A 11 4.451 15.359 -22.710 1.00 0.00 O ATOM 161 CB MET A 11 1.949 13.870 -23.082 1.00 0.00 C ATOM 162 CG MET A 11 0.876 12.790 -23.048 1.00 0.00 C ATOM 163 SD MET A 11 -0.764 13.442 -22.662 1.00 0.00 S ATOM 164 CE MET A 11 -1.703 11.922 -22.517 1.00 0.00 C ATOM 0 H MET A 11 3.533 12.791 -21.382 1.00 0.00 H new ATOM 0 HA MET A 11 3.309 12.754 -24.307 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.967 14.381 -22.119 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.679 14.613 -23.832 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.843 12.287 -24.014 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.147 12.039 -22.306 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.741 12.157 -22.280 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.661 11.377 -23.460 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.280 11.307 -21.723 1.00 0.00 H new ATOM 174 N VAL A 12 4.992 14.514 -24.710 1.00 0.00 N ATOM 175 CA VAL A 12 5.966 15.554 -24.983 1.00 0.00 C ATOM 176 C VAL A 12 5.317 16.721 -25.717 1.00 0.00 C ATOM 177 O VAL A 12 4.881 16.583 -26.866 1.00 0.00 O ATOM 178 CB VAL A 12 7.153 15.011 -25.821 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.297 16.010 -25.851 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.634 13.674 -25.274 1.00 0.00 C ATOM 0 H VAL A 12 4.888 13.821 -25.452 1.00 0.00 H new ATOM 0 HA VAL A 12 6.348 15.901 -24.023 1.00 0.00 H new ATOM 0 HB VAL A 12 6.801 14.861 -26.841 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.117 15.606 -26.445 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.953 16.944 -26.295 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.643 16.198 -24.835 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.467 13.312 -25.877 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.961 13.800 -24.242 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.819 12.951 -25.311 1.00 0.00 H new ATOM 190 N LYS A 13 5.237 17.857 -25.043 1.00 0.00 N ATOM 191 CA LYS A 13 4.661 19.057 -25.620 1.00 0.00 C ATOM 192 C LYS A 13 5.543 20.243 -25.275 1.00 0.00 C ATOM 193 O LYS A 13 5.260 20.982 -24.324 1.00 0.00 O ATOM 194 CB LYS A 13 3.245 19.288 -25.085 1.00 0.00 C ATOM 195 CG LYS A 13 2.266 18.176 -25.415 1.00 0.00 C ATOM 196 CD LYS A 13 0.876 18.484 -24.881 1.00 0.00 C ATOM 197 CE LYS A 13 -0.109 17.371 -25.206 1.00 0.00 C ATOM 198 NZ LYS A 13 -1.472 17.687 -24.712 1.00 0.00 N ATOM 0 H LYS A 13 5.568 17.971 -24.085 1.00 0.00 H new ATOM 0 HA LYS A 13 4.602 18.940 -26.702 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.292 19.406 -24.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.864 20.225 -25.491 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.220 18.038 -26.495 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.622 17.238 -24.989 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.924 18.625 -23.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.521 19.421 -25.309 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.139 17.214 -26.284 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.234 16.438 -24.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.117 16.907 -24.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.447 17.812 -23.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.809 18.564 -25.159 1.00 0.00 H new ATOM 212 N GLU A 14 6.616 20.406 -26.038 1.00 0.00 N ATOM 213 CA GLU A 14 7.622 21.424 -25.776 1.00 0.00 C ATOM 214 C GLU A 14 8.228 21.222 -24.394 1.00 0.00 C ATOM 215 O GLU A 14 7.895 21.931 -23.427 1.00 0.00 O ATOM 216 CB GLU A 14 7.060 22.844 -25.930 1.00 0.00 C ATOM 217 CG GLU A 14 8.075 23.944 -25.636 1.00 0.00 C ATOM 218 CD GLU A 14 7.491 25.329 -25.821 1.00 0.00 C ATOM 219 OE1 GLU A 14 6.737 25.785 -24.932 1.00 0.00 O ATOM 220 OE2 GLU A 14 7.775 25.966 -26.855 1.00 0.00 O ATOM 0 H GLU A 14 6.813 19.833 -26.859 1.00 0.00 H new ATOM 0 HA GLU A 14 8.408 21.313 -26.523 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.687 22.969 -26.947 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.207 22.962 -25.261 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.436 23.838 -24.613 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.937 23.825 -26.292 1.00 0.00 H new ATOM 227 N THR A 15 9.067 20.221 -24.285 1.00 0.00 N ATOM 228 CA THR A 15 9.719 19.931 -23.069 1.00 0.00 C ATOM 229 C THR A 15 11.006 20.718 -22.967 1.00 0.00 C ATOM 230 O THR A 15 11.881 20.636 -23.831 1.00 0.00 O ATOM 231 CB THR A 15 9.982 18.441 -22.948 1.00 0.00 C ATOM 232 OG1 THR A 15 8.737 17.747 -22.785 1.00 0.00 O ATOM 233 CG2 THR A 15 10.901 18.124 -21.793 1.00 0.00 C ATOM 0 H THR A 15 9.306 19.592 -25.052 1.00 0.00 H new ATOM 0 HA THR A 15 9.071 20.226 -22.244 1.00 0.00 H new ATOM 0 HB THR A 15 10.476 18.112 -23.862 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.351 17.969 -21.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.063 17.047 -21.742 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.856 18.628 -21.939 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.448 18.467 -20.863 1.00 0.00 H new ATOM 241 N THR A 16 11.099 21.489 -21.928 1.00 0.00 N ATOM 242 CA THR A 16 12.242 22.323 -21.706 1.00 0.00 C ATOM 243 C THR A 16 13.189 21.707 -20.690 1.00 0.00 C ATOM 244 O THR A 16 12.873 20.696 -20.079 1.00 0.00 O ATOM 245 CB THR A 16 11.829 23.777 -21.317 1.00 0.00 C ATOM 246 OG1 THR A 16 12.969 24.571 -20.943 1.00 0.00 O ATOM 247 CG2 THR A 16 10.802 23.779 -20.200 1.00 0.00 C ATOM 0 H THR A 16 10.382 21.559 -21.206 1.00 0.00 H new ATOM 0 HA THR A 16 12.785 22.392 -22.649 1.00 0.00 H new ATOM 0 HB THR A 16 11.378 24.226 -22.202 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.675 25.476 -20.707 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.535 24.807 -19.953 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.911 23.241 -20.524 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.221 23.291 -19.320 1.00 0.00 H new ATOM 255 N TYR A 17 14.340 22.343 -20.505 1.00 0.00 N ATOM 256 CA TYR A 17 15.383 21.860 -19.599 1.00 0.00 C ATOM 257 C TYR A 17 14.835 21.718 -18.203 1.00 0.00 C ATOM 258 O TYR A 17 15.193 20.808 -17.471 1.00 0.00 O ATOM 259 CB TYR A 17 16.572 22.835 -19.603 1.00 0.00 C ATOM 260 CG TYR A 17 17.205 23.010 -20.972 1.00 0.00 C ATOM 261 CD1 TYR A 17 16.747 23.993 -21.842 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.249 22.193 -21.395 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.304 24.155 -23.090 1.00 0.00 C ATOM 264 CE2 TYR A 17 18.816 22.353 -22.647 1.00 0.00 C ATOM 265 CZ TYR A 17 18.337 23.336 -23.492 1.00 0.00 C ATOM 266 OH TYR A 17 18.896 23.502 -24.743 1.00 0.00 O ATOM 0 H TYR A 17 14.580 23.213 -20.980 1.00 0.00 H new ATOM 0 HA TYR A 17 15.724 20.883 -19.942 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.237 23.806 -19.239 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.328 22.477 -18.905 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.940 24.641 -21.533 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.622 21.423 -20.736 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.932 24.922 -23.753 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.628 21.714 -22.962 1.00 0.00 H new ATOM 0 HH TYR A 17 19.613 22.846 -24.871 1.00 0.00 H new ATOM 276 N TYR A 18 13.939 22.610 -17.856 1.00 0.00 N ATOM 277 CA TYR A 18 13.326 22.610 -16.578 1.00 0.00 C ATOM 278 C TYR A 18 12.374 21.420 -16.474 1.00 0.00 C ATOM 279 O TYR A 18 12.331 20.735 -15.466 1.00 0.00 O ATOM 280 CB TYR A 18 12.579 23.919 -16.402 1.00 0.00 C ATOM 281 CG TYR A 18 13.464 25.165 -16.396 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.274 25.492 -17.490 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.462 26.029 -15.312 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.042 26.638 -17.491 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.235 27.174 -15.308 1.00 0.00 C ATOM 286 CZ TYR A 18 15.020 27.473 -16.400 1.00 0.00 C ATOM 287 OH TYR A 18 15.785 28.620 -16.401 1.00 0.00 O ATOM 0 H TYR A 18 13.621 23.359 -18.471 1.00 0.00 H new ATOM 0 HA TYR A 18 14.075 22.518 -15.791 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.847 24.014 -17.204 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.023 23.881 -15.465 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.298 24.836 -18.348 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.845 25.803 -14.455 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.658 26.878 -18.345 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.224 27.832 -14.452 1.00 0.00 H new ATOM 0 HH TYR A 18 15.200 29.404 -16.464 1.00 0.00 H new ATOM 297 N ASP A 19 11.640 21.172 -17.558 1.00 0.00 N ATOM 298 CA ASP A 19 10.694 20.051 -17.642 1.00 0.00 C ATOM 299 C ASP A 19 11.441 18.717 -17.570 1.00 0.00 C ATOM 300 O ASP A 19 10.998 17.771 -16.917 1.00 0.00 O ATOM 301 CB ASP A 19 9.889 20.150 -18.951 1.00 0.00 C ATOM 302 CG ASP A 19 8.728 19.156 -19.015 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.228 18.744 -17.943 1.00 0.00 O ATOM 304 OD2 ASP A 19 8.286 18.811 -20.139 1.00 0.00 O ATOM 0 H ASP A 19 11.682 21.740 -18.404 1.00 0.00 H new ATOM 0 HA ASP A 19 10.005 20.101 -16.799 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.499 21.163 -19.056 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.556 19.976 -19.795 1.00 0.00 H new ATOM 309 N VAL A 20 12.584 18.668 -18.239 1.00 0.00 N ATOM 310 CA VAL A 20 13.463 17.502 -18.234 1.00 0.00 C ATOM 311 C VAL A 20 13.933 17.216 -16.821 1.00 0.00 C ATOM 312 O VAL A 20 13.959 16.073 -16.367 1.00 0.00 O ATOM 313 CB VAL A 20 14.703 17.766 -19.098 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.669 16.612 -19.033 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.304 18.051 -20.523 1.00 0.00 C ATOM 0 H VAL A 20 12.932 19.441 -18.806 1.00 0.00 H new ATOM 0 HA VAL A 20 12.903 16.654 -18.630 1.00 0.00 H new ATOM 0 HB VAL A 20 15.210 18.645 -18.700 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.537 16.829 -19.655 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.990 16.464 -18.002 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.180 15.707 -19.395 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.197 18.236 -21.121 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.767 17.194 -20.929 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.660 18.930 -20.552 1.00 0.00 H new ATOM 325 N LEU A 21 14.282 18.277 -16.136 1.00 0.00 N ATOM 326 CA LEU A 21 14.825 18.197 -14.791 1.00 0.00 C ATOM 327 C LEU A 21 13.692 18.084 -13.774 1.00 0.00 C ATOM 328 O LEU A 21 13.925 17.939 -12.578 1.00 0.00 O ATOM 329 CB LEU A 21 15.696 19.436 -14.525 1.00 0.00 C ATOM 330 CG LEU A 21 16.797 19.276 -13.476 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.805 18.224 -13.905 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.496 20.600 -13.224 1.00 0.00 C ATOM 0 H LEU A 21 14.199 19.229 -16.493 1.00 0.00 H new ATOM 0 HA LEU A 21 15.447 17.307 -14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.159 19.737 -15.465 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.044 20.253 -14.215 1.00 0.00 H new ATOM 0 HG LEU A 21 16.330 18.947 -12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.578 18.129 -13.143 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.300 17.266 -14.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.261 18.521 -14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.275 20.463 -12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.943 20.958 -14.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.772 21.331 -12.865 1.00 0.00 H new ATOM 344 N GLY A 22 12.456 18.134 -14.269 1.00 0.00 N ATOM 345 CA GLY A 22 11.304 17.988 -13.412 1.00 0.00 C ATOM 346 C GLY A 22 11.168 19.133 -12.441 1.00 0.00 C ATOM 347 O GLY A 22 10.694 18.955 -11.311 1.00 0.00 O ATOM 0 H GLY A 22 12.238 18.274 -15.256 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.404 17.924 -14.024 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.381 17.052 -12.859 1.00 0.00 H new ATOM 351 N VAL A 23 11.563 20.305 -12.880 1.00 0.00 N ATOM 352 CA VAL A 23 11.548 21.471 -12.044 1.00 0.00 C ATOM 353 C VAL A 23 10.754 22.582 -12.740 1.00 0.00 C ATOM 354 O VAL A 23 10.578 22.559 -13.962 1.00 0.00 O ATOM 355 CB VAL A 23 12.998 21.944 -11.740 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.560 22.819 -12.839 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.097 22.602 -10.388 1.00 0.00 C ATOM 0 H VAL A 23 11.903 20.472 -13.827 1.00 0.00 H new ATOM 0 HA VAL A 23 11.069 21.227 -11.096 1.00 0.00 H new ATOM 0 HB VAL A 23 13.621 21.050 -11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.574 23.123 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.577 22.261 -13.775 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.934 23.704 -12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.125 22.919 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.439 23.471 -10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.798 21.893 -9.616 1.00 0.00 H new ATOM 367 N LYS A 24 10.256 23.524 -11.972 1.00 0.00 N ATOM 368 CA LYS A 24 9.467 24.596 -12.525 1.00 0.00 C ATOM 369 C LYS A 24 10.350 25.742 -12.998 1.00 0.00 C ATOM 370 O LYS A 24 11.480 25.892 -12.547 1.00 0.00 O ATOM 371 CB LYS A 24 8.439 25.076 -11.506 1.00 0.00 C ATOM 372 CG LYS A 24 7.401 24.025 -11.141 1.00 0.00 C ATOM 373 CD LYS A 24 6.406 24.554 -10.126 1.00 0.00 C ATOM 374 CE LYS A 24 5.394 23.490 -9.735 1.00 0.00 C ATOM 375 NZ LYS A 24 4.565 23.043 -10.888 1.00 0.00 N ATOM 0 H LYS A 24 10.385 23.568 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 24 8.934 24.215 -13.396 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.958 25.391 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.930 25.954 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.872 23.708 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.900 23.144 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.937 24.897 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.886 25.418 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.918 22.632 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.743 23.882 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.774 22.463 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.191 23.874 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.150 22.480 -11.538 1.00 0.00 H new ATOM 389 N PRO A 25 9.832 26.564 -13.913 1.00 0.00 N ATOM 390 CA PRO A 25 10.565 27.710 -14.484 1.00 0.00 C ATOM 391 C PRO A 25 10.865 28.818 -13.457 1.00 0.00 C ATOM 392 O PRO A 25 11.562 29.790 -13.764 1.00 0.00 O ATOM 393 CB PRO A 25 9.613 28.242 -15.566 1.00 0.00 C ATOM 394 CG PRO A 25 8.640 27.139 -15.812 1.00 0.00 C ATOM 395 CD PRO A 25 8.496 26.423 -14.508 1.00 0.00 C ATOM 0 HA PRO A 25 11.543 27.403 -14.855 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.105 29.147 -15.233 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.156 28.498 -16.476 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.681 27.532 -16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.001 26.466 -16.590 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.725 26.872 -13.882 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.224 25.377 -14.648 1.00 0.00 H new ATOM 403 N ASN A 26 10.340 28.669 -12.246 1.00 0.00 N ATOM 404 CA ASN A 26 10.528 29.657 -11.201 1.00 0.00 C ATOM 405 C ASN A 26 11.332 29.055 -10.062 1.00 0.00 C ATOM 406 O ASN A 26 11.386 29.601 -8.957 1.00 0.00 O ATOM 407 CB ASN A 26 9.169 30.173 -10.693 1.00 0.00 C ATOM 408 CG ASN A 26 8.338 29.115 -9.965 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.468 27.913 -10.212 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.475 29.560 -9.073 1.00 0.00 N ATOM 0 H ASN A 26 9.777 27.865 -11.967 1.00 0.00 H new ATOM 0 HA ASN A 26 11.079 30.504 -11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.339 31.014 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.596 30.552 -11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.887 28.903 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.396 30.561 -8.896 1.00 0.00 H new ATOM 417 N ALA A 27 11.950 27.916 -10.342 1.00 0.00 N ATOM 418 CA ALA A 27 12.732 27.203 -9.366 1.00 0.00 C ATOM 419 C ALA A 27 14.028 27.924 -9.038 1.00 0.00 C ATOM 420 O ALA A 27 14.606 28.619 -9.880 1.00 0.00 O ATOM 421 CB ALA A 27 13.004 25.820 -9.872 1.00 0.00 C ATOM 0 H ALA A 27 11.917 27.467 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 27 12.162 27.149 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.596 25.274 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.060 25.300 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.554 25.878 -10.811 1.00 0.00 H new ATOM 427 N THR A 28 14.467 27.748 -7.809 1.00 0.00 N ATOM 428 CA THR A 28 15.668 28.375 -7.302 1.00 0.00 C ATOM 429 C THR A 28 16.883 27.602 -7.679 1.00 0.00 C ATOM 430 O THR A 28 16.793 26.475 -8.151 1.00 0.00 O ATOM 431 CB THR A 28 15.623 28.454 -5.776 1.00 0.00 C ATOM 432 OG1 THR A 28 15.661 27.133 -5.218 1.00 0.00 O ATOM 433 CG2 THR A 28 14.357 29.104 -5.357 1.00 0.00 C ATOM 0 H THR A 28 13.993 27.157 -7.126 1.00 0.00 H new ATOM 0 HA THR A 28 15.716 29.373 -7.739 1.00 0.00 H new ATOM 0 HB THR A 28 16.480 29.028 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.474 27.178 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.321 29.162 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.308 30.109 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.511 28.519 -5.717 1.00 0.00 H new ATOM 441 N GLN A 29 18.020 28.207 -7.464 1.00 0.00 N ATOM 442 CA GLN A 29 19.278 27.534 -7.661 1.00 0.00 C ATOM 443 C GLN A 29 19.312 26.253 -6.833 1.00 0.00 C ATOM 444 O GLN A 29 19.817 25.212 -7.275 1.00 0.00 O ATOM 445 CB GLN A 29 20.424 28.445 -7.259 1.00 0.00 C ATOM 446 CG GLN A 29 21.793 27.808 -7.419 1.00 0.00 C ATOM 447 CD GLN A 29 22.114 27.494 -8.865 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.702 28.304 -9.572 1.00 0.00 O ATOM 449 NE2 GLN A 29 21.720 26.322 -9.315 1.00 0.00 N ATOM 0 H GLN A 29 18.102 29.174 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 29 19.386 27.280 -8.715 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.383 29.353 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.291 28.745 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.553 28.479 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.835 26.891 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 29 21.233 25.675 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.901 26.060 -10.284 1.00 0.00 H new ATOM 458 N GLU A 30 18.749 26.346 -5.641 1.00 0.00 N ATOM 459 CA GLU A 30 18.689 25.240 -4.721 1.00 0.00 C ATOM 460 C GLU A 30 17.731 24.178 -5.256 1.00 0.00 C ATOM 461 O GLU A 30 18.007 22.983 -5.191 1.00 0.00 O ATOM 462 CB GLU A 30 18.198 25.736 -3.370 1.00 0.00 C ATOM 463 CG GLU A 30 18.290 24.708 -2.272 1.00 0.00 C ATOM 464 CD GLU A 30 17.720 25.203 -0.971 1.00 0.00 C ATOM 465 OE1 GLU A 30 18.127 26.286 -0.504 1.00 0.00 O ATOM 466 OE2 GLU A 30 16.862 24.502 -0.402 1.00 0.00 O ATOM 0 H GLU A 30 18.319 27.201 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 30 19.682 24.804 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.778 26.613 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.161 26.058 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.760 23.806 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.334 24.430 -2.125 1.00 0.00 H new ATOM 473 N GLU A 31 16.607 24.641 -5.794 1.00 0.00 N ATOM 474 CA GLU A 31 15.594 23.788 -6.347 1.00 0.00 C ATOM 475 C GLU A 31 16.122 23.060 -7.581 1.00 0.00 C ATOM 476 O GLU A 31 15.818 21.889 -7.805 1.00 0.00 O ATOM 477 CB GLU A 31 14.378 24.634 -6.700 1.00 0.00 C ATOM 478 CG GLU A 31 13.217 23.850 -7.243 1.00 0.00 C ATOM 479 CD GLU A 31 12.588 22.937 -6.214 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.056 21.791 -6.056 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.615 23.362 -5.561 1.00 0.00 O ATOM 0 H GLU A 31 16.384 25.635 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 31 15.310 23.034 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.053 25.172 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.672 25.383 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.462 24.541 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.553 23.255 -8.092 1.00 0.00 H new ATOM 488 N LEU A 32 16.920 23.764 -8.367 1.00 0.00 N ATOM 489 CA LEU A 32 17.543 23.187 -9.546 1.00 0.00 C ATOM 490 C LEU A 32 18.454 22.035 -9.139 1.00 0.00 C ATOM 491 O LEU A 32 18.462 20.973 -9.772 1.00 0.00 O ATOM 492 CB LEU A 32 18.338 24.248 -10.310 1.00 0.00 C ATOM 493 CG LEU A 32 17.547 25.138 -11.274 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.082 25.238 -10.878 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.154 26.517 -11.334 1.00 0.00 C ATOM 0 H LEU A 32 17.153 24.744 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 32 16.761 22.807 -10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.834 24.891 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.121 23.744 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 32 17.598 24.675 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.556 25.878 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.634 24.244 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.004 25.664 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.581 27.137 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.136 26.966 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.185 26.446 -11.681 1.00 0.00 H new ATOM 507 N LYS A 33 19.215 22.253 -8.066 1.00 0.00 N ATOM 508 CA LYS A 33 20.093 21.233 -7.506 1.00 0.00 C ATOM 509 C LYS A 33 19.264 20.052 -6.993 1.00 0.00 C ATOM 510 O LYS A 33 19.615 18.888 -7.202 1.00 0.00 O ATOM 511 CB LYS A 33 20.929 21.834 -6.370 1.00 0.00 C ATOM 512 CG LYS A 33 21.979 20.895 -5.786 1.00 0.00 C ATOM 513 CD LYS A 33 22.782 21.593 -4.700 1.00 0.00 C ATOM 514 CE LYS A 33 23.855 20.690 -4.115 1.00 0.00 C ATOM 515 NZ LYS A 33 24.646 21.390 -3.075 1.00 0.00 N ATOM 0 H LYS A 33 19.238 23.141 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 33 20.766 20.873 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.428 22.730 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.258 22.149 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.494 20.010 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.647 20.553 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.247 22.488 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.110 21.919 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.391 19.803 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.518 20.349 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.369 20.746 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.108 22.223 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.016 21.693 -2.305 1.00 0.00 H new ATOM 529 N LYS A 34 18.156 20.378 -6.324 1.00 0.00 N ATOM 530 CA LYS A 34 17.240 19.377 -5.779 1.00 0.00 C ATOM 531 C LYS A 34 16.620 18.510 -6.871 1.00 0.00 C ATOM 532 O LYS A 34 16.475 17.297 -6.692 1.00 0.00 O ATOM 533 CB LYS A 34 16.143 20.039 -4.940 1.00 0.00 C ATOM 534 CG LYS A 34 16.613 20.535 -3.581 1.00 0.00 C ATOM 535 CD LYS A 34 15.487 21.220 -2.821 1.00 0.00 C ATOM 536 CE LYS A 34 15.756 21.235 -1.321 1.00 0.00 C ATOM 537 NZ LYS A 34 17.031 21.906 -0.968 1.00 0.00 N ATOM 0 H LYS A 34 17.870 21.341 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 34 17.830 18.724 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.731 20.879 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.332 19.325 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.991 19.696 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.442 21.231 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.372 22.242 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.547 20.705 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.933 21.740 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.776 20.210 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.427 21.470 -0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.706 21.803 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.855 22.916 -0.793 1.00 0.00 H new ATOM 551 N ALA A 35 16.244 19.124 -7.989 1.00 0.00 N ATOM 552 CA ALA A 35 15.661 18.375 -9.098 1.00 0.00 C ATOM 553 C ALA A 35 16.634 17.321 -9.595 1.00 0.00 C ATOM 554 O ALA A 35 16.285 16.146 -9.703 1.00 0.00 O ATOM 555 CB ALA A 35 15.275 19.304 -10.238 1.00 0.00 C ATOM 0 H ALA A 35 16.331 20.127 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 35 14.759 17.882 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.843 18.721 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.544 20.030 -9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.161 19.827 -10.597 1.00 0.00 H new ATOM 561 N TYR A 36 17.867 17.740 -9.867 1.00 0.00 N ATOM 562 CA TYR A 36 18.896 16.825 -10.327 1.00 0.00 C ATOM 563 C TYR A 36 19.153 15.740 -9.301 1.00 0.00 C ATOM 564 O TYR A 36 19.290 14.580 -9.643 1.00 0.00 O ATOM 565 CB TYR A 36 20.191 17.561 -10.648 1.00 0.00 C ATOM 566 CG TYR A 36 21.331 16.638 -11.052 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.368 16.058 -12.312 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.366 16.348 -10.169 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.400 15.214 -12.685 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.402 15.506 -10.535 1.00 0.00 C ATOM 571 CZ TYR A 36 23.415 14.942 -11.792 1.00 0.00 C ATOM 572 OH TYR A 36 24.448 14.100 -12.155 1.00 0.00 O ATOM 0 H TYR A 36 18.173 18.709 -9.775 1.00 0.00 H new ATOM 0 HA TYR A 36 18.532 16.360 -11.243 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.006 18.271 -11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.495 18.141 -9.777 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.576 16.269 -13.015 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.361 16.787 -9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.410 14.771 -13.670 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.198 15.292 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 36 25.079 14.016 -11.410 1.00 0.00 H new ATOM 582 N ARG A 37 19.209 16.135 -8.037 1.00 0.00 N ATOM 583 CA ARG A 37 19.466 15.202 -6.943 1.00 0.00 C ATOM 584 C ARG A 37 18.415 14.099 -6.921 1.00 0.00 C ATOM 585 O ARG A 37 18.743 12.916 -6.816 1.00 0.00 O ATOM 586 CB ARG A 37 19.446 15.964 -5.608 1.00 0.00 C ATOM 587 CG ARG A 37 19.732 15.109 -4.381 1.00 0.00 C ATOM 588 CD ARG A 37 19.623 15.931 -3.104 1.00 0.00 C ATOM 589 NE ARG A 37 19.859 15.122 -1.903 1.00 0.00 N ATOM 590 CZ ARG A 37 19.807 15.595 -0.649 1.00 0.00 C ATOM 591 NH1 ARG A 37 19.518 16.874 -0.424 1.00 0.00 N ATOM 592 NH2 ARG A 37 20.024 14.779 0.371 1.00 0.00 N ATOM 0 H ARG A 37 19.079 17.102 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 37 20.444 14.745 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.181 16.767 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.469 16.432 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.030 14.276 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.731 14.680 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.344 16.748 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.632 16.382 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 37 20.077 14.134 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.334 17.501 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.480 17.228 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.230 13.794 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.985 15.135 1.326 1.00 0.00 H new ATOM 606 N LYS A 38 17.164 14.494 -7.056 1.00 0.00 N ATOM 607 CA LYS A 38 16.053 13.562 -7.034 1.00 0.00 C ATOM 608 C LYS A 38 16.112 12.596 -8.229 1.00 0.00 C ATOM 609 O LYS A 38 15.997 11.370 -8.068 1.00 0.00 O ATOM 610 CB LYS A 38 14.743 14.361 -7.032 1.00 0.00 C ATOM 611 CG LYS A 38 13.480 13.527 -6.935 1.00 0.00 C ATOM 612 CD LYS A 38 12.261 14.432 -6.874 1.00 0.00 C ATOM 613 CE LYS A 38 10.968 13.644 -6.755 1.00 0.00 C ATOM 614 NZ LYS A 38 9.788 14.544 -6.678 1.00 0.00 N ATOM 0 H LYS A 38 16.889 15.468 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 38 16.109 12.952 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.763 15.060 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.697 14.956 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.407 12.862 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.519 12.896 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.353 15.106 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.226 15.052 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.865 12.980 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.005 13.014 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.922 13.974 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.876 15.161 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.740 15.128 -7.537 1.00 0.00 H new ATOM 628 N LEU A 39 16.309 13.151 -9.416 1.00 0.00 N ATOM 629 CA LEU A 39 16.353 12.356 -10.637 1.00 0.00 C ATOM 630 C LEU A 39 17.558 11.452 -10.672 1.00 0.00 C ATOM 631 O LEU A 39 17.470 10.312 -11.097 1.00 0.00 O ATOM 632 CB LEU A 39 16.379 13.250 -11.838 1.00 0.00 C ATOM 633 CG LEU A 39 15.321 14.315 -11.868 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.435 15.147 -13.125 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.927 13.722 -11.724 1.00 0.00 C ATOM 0 H LEU A 39 16.441 14.152 -9.561 1.00 0.00 H new ATOM 0 HA LEU A 39 15.456 11.737 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.356 13.730 -11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.277 12.634 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 39 15.483 14.970 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.659 15.912 -13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.415 15.623 -13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.313 14.506 -13.998 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.187 14.522 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.740 13.028 -12.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.854 13.191 -10.775 1.00 0.00 H new ATOM 647 N ALA A 40 18.686 11.975 -10.226 1.00 0.00 N ATOM 648 CA ALA A 40 19.945 11.228 -10.244 1.00 0.00 C ATOM 649 C ALA A 40 19.842 9.943 -9.460 1.00 0.00 C ATOM 650 O ALA A 40 20.390 8.913 -9.860 1.00 0.00 O ATOM 651 CB ALA A 40 21.088 12.081 -9.717 1.00 0.00 C ATOM 0 H ALA A 40 18.763 12.918 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 40 20.153 10.969 -11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 40 22.013 11.505 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.198 12.968 -10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.874 12.383 -8.692 1.00 0.00 H new ATOM 657 N LEU A 41 19.167 10.013 -8.338 1.00 0.00 N ATOM 658 CA LEU A 41 18.965 8.864 -7.501 1.00 0.00 C ATOM 659 C LEU A 41 18.082 7.817 -8.193 1.00 0.00 C ATOM 660 O LEU A 41 18.369 6.624 -8.152 1.00 0.00 O ATOM 661 CB LEU A 41 18.322 9.304 -6.196 1.00 0.00 C ATOM 662 CG LEU A 41 19.174 10.212 -5.309 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.388 10.648 -4.092 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.465 9.514 -4.896 1.00 0.00 C ATOM 0 H LEU A 41 18.744 10.870 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 41 19.933 8.404 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.392 9.823 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.057 8.414 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 41 19.441 11.099 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.008 11.294 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.500 11.194 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.089 9.771 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 41 21.053 10.181 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.227 8.607 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.039 9.255 -5.786 1.00 0.00 H new ATOM 676 N LYS A 42 17.006 8.286 -8.828 1.00 0.00 N ATOM 677 CA LYS A 42 16.044 7.421 -9.483 1.00 0.00 C ATOM 678 C LYS A 42 16.538 6.844 -10.823 1.00 0.00 C ATOM 679 O LYS A 42 16.346 5.666 -11.114 1.00 0.00 O ATOM 680 CB LYS A 42 14.771 8.188 -9.692 1.00 0.00 C ATOM 681 CG LYS A 42 14.119 8.616 -8.397 1.00 0.00 C ATOM 682 CD LYS A 42 13.667 7.430 -7.559 1.00 0.00 C ATOM 683 CE LYS A 42 13.019 7.895 -6.266 1.00 0.00 C ATOM 684 NZ LYS A 42 12.512 6.761 -5.461 1.00 0.00 N ATOM 0 H LYS A 42 16.784 9.279 -8.898 1.00 0.00 H new ATOM 0 HA LYS A 42 15.885 6.563 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.980 9.071 -10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.072 7.573 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.821 9.218 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.261 9.251 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.960 6.826 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.522 6.792 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.744 8.460 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.197 8.573 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.078 7.122 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.801 6.236 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.300 6.127 -5.219 1.00 0.00 H new ATOM 698 N TYR A 43 17.154 7.683 -11.624 1.00 0.00 N ATOM 699 CA TYR A 43 17.591 7.298 -12.973 1.00 0.00 C ATOM 700 C TYR A 43 19.100 7.096 -13.033 1.00 0.00 C ATOM 701 O TYR A 43 19.742 7.478 -14.015 1.00 0.00 O ATOM 702 CB TYR A 43 17.158 8.361 -14.007 1.00 0.00 C ATOM 703 CG TYR A 43 15.663 8.601 -14.038 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.832 7.827 -14.835 1.00 0.00 C ATOM 705 CD2 TYR A 43 15.079 9.598 -13.262 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.465 8.038 -14.863 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.714 9.811 -13.281 1.00 0.00 C ATOM 708 CZ TYR A 43 12.912 9.029 -14.083 1.00 0.00 C ATOM 709 OH TYR A 43 11.552 9.236 -14.102 1.00 0.00 O ATOM 0 H TYR A 43 17.371 8.648 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 43 17.112 6.349 -13.216 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.664 9.300 -13.784 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.488 8.048 -14.998 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.260 7.045 -15.445 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.704 10.216 -12.634 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.835 7.428 -15.494 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.278 10.587 -12.670 1.00 0.00 H new ATOM 0 HH TYR A 43 11.324 9.971 -13.495 1.00 0.00 H new ATOM 719 N HIS A 44 19.662 6.506 -11.978 1.00 0.00 N ATOM 720 CA HIS A 44 21.094 6.226 -11.920 1.00 0.00 C ATOM 721 C HIS A 44 21.537 5.442 -13.169 1.00 0.00 C ATOM 722 O HIS A 44 21.104 4.317 -13.374 1.00 0.00 O ATOM 723 CB HIS A 44 21.421 5.415 -10.664 1.00 0.00 C ATOM 724 CG HIS A 44 22.812 5.615 -10.163 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.923 5.064 -10.769 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.276 6.315 -9.103 1.00 0.00 C ATOM 727 CE1 HIS A 44 25.006 5.419 -10.094 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.637 6.176 -9.086 1.00 0.00 N ATOM 0 H HIS A 44 19.144 6.212 -11.150 1.00 0.00 H new ATOM 0 HA HIS A 44 21.630 7.174 -11.886 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.719 5.685 -9.875 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.270 4.357 -10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.682 6.880 -8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 26.020 5.134 -10.332 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.265 6.594 -8.400 1.00 0.00 H new ATOM 736 N PRO A 45 22.422 6.022 -14.004 1.00 0.00 N ATOM 737 CA PRO A 45 22.866 5.390 -15.263 1.00 0.00 C ATOM 738 C PRO A 45 23.677 4.110 -15.049 1.00 0.00 C ATOM 739 O PRO A 45 23.820 3.301 -15.965 1.00 0.00 O ATOM 740 CB PRO A 45 23.722 6.464 -15.920 1.00 0.00 C ATOM 741 CG PRO A 45 24.176 7.318 -14.799 1.00 0.00 C ATOM 742 CD PRO A 45 23.057 7.332 -13.800 1.00 0.00 C ATOM 0 HA PRO A 45 22.015 5.071 -15.865 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.567 6.027 -16.452 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.148 7.038 -16.648 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.089 6.923 -14.354 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.401 8.327 -15.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.426 7.448 -12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.362 8.151 -13.983 1.00 0.00 H new ATOM 750 N ASP A 46 24.206 3.933 -13.845 1.00 0.00 N ATOM 751 CA ASP A 46 24.979 2.739 -13.531 1.00 0.00 C ATOM 752 C ASP A 46 24.060 1.618 -13.059 1.00 0.00 C ATOM 753 O ASP A 46 24.408 0.444 -13.133 1.00 0.00 O ATOM 754 CB ASP A 46 26.046 3.041 -12.472 1.00 0.00 C ATOM 755 CG ASP A 46 26.919 1.836 -12.162 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.765 1.476 -13.008 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.766 1.250 -11.071 1.00 0.00 O ATOM 0 H ASP A 46 24.115 4.596 -13.075 1.00 0.00 H new ATOM 0 HA ASP A 46 25.486 2.413 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 46 26.675 3.861 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.559 3.378 -11.557 1.00 0.00 H new ATOM 762 N LYS A 47 22.876 1.992 -12.585 1.00 0.00 N ATOM 763 CA LYS A 47 21.907 1.011 -12.103 1.00 0.00 C ATOM 764 C LYS A 47 20.845 0.781 -13.178 1.00 0.00 C ATOM 765 O LYS A 47 20.172 -0.256 -13.207 1.00 0.00 O ATOM 766 CB LYS A 47 21.268 1.487 -10.784 1.00 0.00 C ATOM 767 CG LYS A 47 20.683 0.363 -9.937 1.00 0.00 C ATOM 768 CD LYS A 47 20.220 0.871 -8.580 1.00 0.00 C ATOM 769 CE LYS A 47 19.677 -0.256 -7.714 1.00 0.00 C ATOM 770 NZ LYS A 47 19.317 0.216 -6.349 1.00 0.00 N ATOM 0 H LYS A 47 22.564 2.961 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 47 22.414 0.067 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.020 2.016 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.479 2.204 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.843 -0.091 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.432 -0.417 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.052 1.354 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.448 1.628 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.798 -0.689 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 47 20.422 -1.048 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.951 -0.582 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.161 0.607 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.587 0.954 -6.418 1.00 0.00 H new ATOM 784 N ASN A 48 20.708 1.763 -14.058 1.00 0.00 N ATOM 785 CA ASN A 48 19.806 1.685 -15.196 1.00 0.00 C ATOM 786 C ASN A 48 20.484 2.288 -16.408 1.00 0.00 C ATOM 787 O ASN A 48 20.352 3.478 -16.681 1.00 0.00 O ATOM 788 CB ASN A 48 18.505 2.435 -14.945 1.00 0.00 C ATOM 789 CG ASN A 48 17.757 1.972 -13.714 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.972 2.475 -12.612 1.00 0.00 O ATOM 791 ND2 ASN A 48 16.865 1.023 -13.894 1.00 0.00 N ATOM 0 H ASN A 48 21.223 2.641 -14.001 1.00 0.00 H new ATOM 0 HA ASN A 48 19.568 0.634 -15.359 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.723 3.498 -14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.858 2.322 -15.815 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.321 0.678 -13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.717 0.632 -14.824 1.00 0.00 H new ATOM 798 N PRO A 49 21.234 1.481 -17.132 1.00 0.00 N ATOM 799 CA PRO A 49 21.941 1.908 -18.311 1.00 0.00 C ATOM 800 C PRO A 49 20.993 2.336 -19.427 1.00 0.00 C ATOM 801 O PRO A 49 21.334 3.171 -20.264 1.00 0.00 O ATOM 802 CB PRO A 49 22.721 0.666 -18.717 1.00 0.00 C ATOM 803 CG PRO A 49 21.974 -0.439 -18.121 1.00 0.00 C ATOM 804 CD PRO A 49 21.451 0.083 -16.852 1.00 0.00 C ATOM 0 HA PRO A 49 22.569 2.779 -18.123 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.778 0.569 -19.801 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.745 0.700 -18.346 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.165 -0.764 -18.775 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.617 -1.303 -17.955 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.527 -0.417 -16.562 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.160 -0.058 -16.036 1.00 0.00 H new ATOM 812 N ASN A 50 19.786 1.779 -19.413 1.00 0.00 N ATOM 813 CA ASN A 50 18.782 2.088 -20.421 1.00 0.00 C ATOM 814 C ASN A 50 18.197 3.482 -20.203 1.00 0.00 C ATOM 815 O ASN A 50 17.696 4.112 -21.137 1.00 0.00 O ATOM 816 CB ASN A 50 17.677 1.022 -20.421 1.00 0.00 C ATOM 817 CG ASN A 50 16.566 1.314 -21.417 1.00 0.00 C ATOM 818 OD1 ASN A 50 15.539 1.878 -21.064 1.00 0.00 O ATOM 819 ND2 ASN A 50 16.778 0.945 -22.666 1.00 0.00 N ATOM 0 H ASN A 50 19.480 1.107 -18.709 1.00 0.00 H new ATOM 0 HA ASN A 50 19.265 2.081 -21.398 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.117 0.051 -20.651 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.250 0.950 -19.421 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.072 1.128 -23.379 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.648 0.477 -22.919 1.00 0.00 H new ATOM 826 N GLU A 51 18.288 3.976 -18.977 1.00 0.00 N ATOM 827 CA GLU A 51 17.761 5.301 -18.659 1.00 0.00 C ATOM 828 C GLU A 51 18.836 6.374 -18.852 1.00 0.00 C ATOM 829 O GLU A 51 18.583 7.563 -18.663 1.00 0.00 O ATOM 830 CB GLU A 51 17.204 5.347 -17.229 1.00 0.00 C ATOM 831 CG GLU A 51 15.990 4.447 -17.012 1.00 0.00 C ATOM 832 CD GLU A 51 14.780 4.874 -17.828 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.982 5.689 -17.331 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.620 4.400 -18.975 1.00 0.00 O ATOM 0 H GLU A 51 18.717 3.487 -18.191 1.00 0.00 H new ATOM 0 HA GLU A 51 16.941 5.507 -19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.990 5.055 -16.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.931 6.374 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.253 3.422 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.727 4.450 -15.954 1.00 0.00 H new ATOM 841 N GLY A 52 20.032 5.945 -19.253 1.00 0.00 N ATOM 842 CA GLY A 52 21.128 6.875 -19.476 1.00 0.00 C ATOM 843 C GLY A 52 20.859 7.826 -20.624 1.00 0.00 C ATOM 844 O GLY A 52 21.320 8.964 -20.613 1.00 0.00 O ATOM 0 H GLY A 52 20.262 4.967 -19.428 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.303 7.449 -18.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.040 6.314 -19.680 1.00 0.00 H new ATOM 848 N GLU A 53 20.109 7.362 -21.616 1.00 0.00 N ATOM 849 CA GLU A 53 19.756 8.204 -22.762 1.00 0.00 C ATOM 850 C GLU A 53 18.897 9.370 -22.287 1.00 0.00 C ATOM 851 O GLU A 53 19.018 10.495 -22.773 1.00 0.00 O ATOM 852 CB GLU A 53 19.013 7.388 -23.833 1.00 0.00 C ATOM 853 CG GLU A 53 19.881 6.354 -24.551 1.00 0.00 C ATOM 854 CD GLU A 53 20.982 6.988 -25.378 1.00 0.00 C ATOM 855 OE1 GLU A 53 20.709 7.383 -26.534 1.00 0.00 O ATOM 856 OE2 GLU A 53 22.118 7.105 -24.879 1.00 0.00 O ATOM 0 H GLU A 53 19.734 6.414 -21.654 1.00 0.00 H new ATOM 0 HA GLU A 53 20.670 8.590 -23.213 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.172 6.877 -23.365 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.598 8.073 -24.572 1.00 0.00 H new ATOM 0 HG2 GLU A 53 20.325 5.684 -23.815 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.251 5.744 -25.198 1.00 0.00 H new ATOM 863 N LYS A 54 18.025 9.080 -21.335 1.00 0.00 N ATOM 864 CA LYS A 54 17.187 10.070 -20.702 1.00 0.00 C ATOM 865 C LYS A 54 18.042 11.010 -19.865 1.00 0.00 C ATOM 866 O LYS A 54 17.828 12.227 -19.821 1.00 0.00 O ATOM 867 CB LYS A 54 16.160 9.384 -19.826 1.00 0.00 C ATOM 868 CG LYS A 54 15.077 8.643 -20.600 1.00 0.00 C ATOM 869 CD LYS A 54 14.155 7.947 -19.653 1.00 0.00 C ATOM 870 CE LYS A 54 13.120 7.117 -20.385 1.00 0.00 C ATOM 871 NZ LYS A 54 12.320 6.291 -19.451 1.00 0.00 N ATOM 0 H LYS A 54 17.882 8.135 -20.979 1.00 0.00 H new ATOM 0 HA LYS A 54 16.671 10.649 -21.468 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.671 8.678 -19.171 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.688 10.129 -19.186 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.516 9.344 -21.217 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.533 7.918 -21.275 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.733 7.304 -18.989 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.653 8.684 -19.026 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.458 7.775 -20.948 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.617 6.471 -21.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.188 5.341 -19.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.818 6.215 -18.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.392 6.736 -19.302 1.00 0.00 H new ATOM 885 N PHE A 55 19.027 10.415 -19.208 1.00 0.00 N ATOM 886 CA PHE A 55 19.933 11.122 -18.321 1.00 0.00 C ATOM 887 C PHE A 55 20.762 12.147 -19.093 1.00 0.00 C ATOM 888 O PHE A 55 21.248 13.118 -18.516 1.00 0.00 O ATOM 889 CB PHE A 55 20.848 10.116 -17.592 1.00 0.00 C ATOM 890 CG PHE A 55 21.584 10.685 -16.407 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.927 10.898 -15.204 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.934 10.996 -16.493 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.601 11.413 -14.110 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.613 11.511 -15.403 1.00 0.00 C ATOM 895 CZ PHE A 55 22.944 11.718 -14.211 1.00 0.00 C ATOM 0 H PHE A 55 19.220 9.416 -19.278 1.00 0.00 H new ATOM 0 HA PHE A 55 19.344 11.661 -17.579 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.245 9.272 -17.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.576 9.726 -18.303 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.877 10.659 -15.120 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.461 10.834 -17.422 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.078 11.576 -13.179 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.663 11.751 -15.483 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.472 12.118 -13.358 1.00 0.00 H new ATOM 905 N LYS A 56 20.921 11.924 -20.391 1.00 0.00 N ATOM 906 CA LYS A 56 21.635 12.863 -21.244 1.00 0.00 C ATOM 907 C LYS A 56 20.948 14.222 -21.183 1.00 0.00 C ATOM 908 O LYS A 56 21.600 15.255 -21.037 1.00 0.00 O ATOM 909 CB LYS A 56 21.670 12.344 -22.690 1.00 0.00 C ATOM 910 CG LYS A 56 22.411 13.254 -23.660 1.00 0.00 C ATOM 911 CD LYS A 56 22.396 12.688 -25.070 1.00 0.00 C ATOM 912 CE LYS A 56 23.084 13.619 -26.054 1.00 0.00 C ATOM 913 NZ LYS A 56 24.518 13.830 -25.732 1.00 0.00 N ATOM 0 H LYS A 56 20.565 11.100 -20.876 1.00 0.00 H new ATOM 0 HA LYS A 56 22.662 12.965 -20.892 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.140 11.361 -22.700 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.647 12.212 -23.042 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.951 14.242 -23.658 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.441 13.381 -23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.892 11.718 -25.078 1.00 0.00 H new ATOM 0 HD3 LYS A 56 21.366 12.522 -25.385 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.998 13.207 -27.059 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.571 14.581 -26.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.977 14.345 -26.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.599 14.384 -24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.984 12.909 -25.604 1.00 0.00 H new ATOM 927 N GLN A 57 19.623 14.196 -21.259 1.00 0.00 N ATOM 928 CA GLN A 57 18.806 15.375 -21.156 1.00 0.00 C ATOM 929 C GLN A 57 18.981 16.028 -19.799 1.00 0.00 C ATOM 930 O GLN A 57 19.155 17.246 -19.694 1.00 0.00 O ATOM 931 CB GLN A 57 17.365 14.964 -21.311 1.00 0.00 C ATOM 932 CG GLN A 57 17.005 14.477 -22.689 1.00 0.00 C ATOM 933 CD GLN A 57 15.543 14.092 -22.808 1.00 0.00 C ATOM 934 OE1 GLN A 57 14.698 14.593 -22.074 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.238 13.200 -23.732 1.00 0.00 N ATOM 0 H GLN A 57 19.089 13.338 -21.396 1.00 0.00 H new ATOM 0 HA GLN A 57 19.099 16.085 -21.929 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.145 14.176 -20.591 1.00 0.00 H new ATOM 0 HB3 GLN A 57 16.728 15.812 -21.060 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.232 15.256 -23.417 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.625 13.616 -22.940 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.971 12.807 -24.323 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.270 12.904 -23.855 1.00 0.00 H new ATOM 944 N ILE A 58 18.961 15.202 -18.767 1.00 0.00 N ATOM 945 CA ILE A 58 19.095 15.675 -17.398 1.00 0.00 C ATOM 946 C ILE A 58 20.444 16.347 -17.187 1.00 0.00 C ATOM 947 O ILE A 58 20.534 17.412 -16.568 1.00 0.00 O ATOM 948 CB ILE A 58 18.918 14.514 -16.387 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.478 14.015 -16.403 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.307 14.938 -14.998 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.246 12.762 -15.581 1.00 0.00 C ATOM 0 H ILE A 58 18.852 14.191 -18.852 1.00 0.00 H new ATOM 0 HA ILE A 58 18.307 16.408 -17.224 1.00 0.00 H new ATOM 0 HB ILE A 58 19.579 13.701 -16.688 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.827 14.806 -16.031 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.184 13.819 -17.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.172 14.102 -14.311 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.352 15.248 -14.991 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.679 15.772 -14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.197 12.474 -15.645 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.869 11.954 -15.965 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.506 12.956 -14.540 1.00 0.00 H new ATOM 963 N SER A 59 21.484 15.733 -17.721 1.00 0.00 N ATOM 964 CA SER A 59 22.827 16.249 -17.592 1.00 0.00 C ATOM 965 C SER A 59 22.940 17.668 -18.181 1.00 0.00 C ATOM 966 O SER A 59 23.563 18.542 -17.587 1.00 0.00 O ATOM 967 CB SER A 59 23.823 15.311 -18.285 1.00 0.00 C ATOM 968 OG SER A 59 23.726 13.984 -17.774 1.00 0.00 O ATOM 0 H SER A 59 21.418 14.866 -18.254 1.00 0.00 H new ATOM 0 HA SER A 59 23.065 16.304 -16.530 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.633 15.304 -19.358 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.837 15.685 -18.143 1.00 0.00 H new ATOM 0 HG SER A 59 22.885 13.579 -18.072 1.00 0.00 H new ATOM 974 N GLN A 60 22.321 17.882 -19.350 1.00 0.00 N ATOM 975 CA GLN A 60 22.368 19.154 -20.029 1.00 0.00 C ATOM 976 C GLN A 60 21.654 20.238 -19.236 1.00 0.00 C ATOM 977 O GLN A 60 22.197 21.334 -19.031 1.00 0.00 O ATOM 978 CB GLN A 60 21.740 19.009 -21.386 1.00 0.00 C ATOM 979 CG GLN A 60 22.473 18.046 -22.292 1.00 0.00 C ATOM 980 CD GLN A 60 21.841 17.922 -23.656 1.00 0.00 C ATOM 981 OE1 GLN A 60 20.918 17.136 -23.859 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.331 18.697 -24.601 1.00 0.00 N ATOM 0 H GLN A 60 21.778 17.170 -19.839 1.00 0.00 H new ATOM 0 HA GLN A 60 23.411 19.455 -20.130 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.711 18.671 -21.267 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.700 19.987 -21.865 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.506 18.377 -22.405 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.503 17.064 -21.821 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.098 19.336 -24.390 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.944 18.659 -25.544 1.00 0.00 H new ATOM 991 N ALA A 61 20.444 19.930 -18.788 1.00 0.00 N ATOM 992 CA ALA A 61 19.676 20.874 -17.973 1.00 0.00 C ATOM 993 C ALA A 61 20.446 21.208 -16.725 1.00 0.00 C ATOM 994 O ALA A 61 20.595 22.359 -16.385 1.00 0.00 O ATOM 995 CB ALA A 61 18.304 20.308 -17.616 1.00 0.00 C ATOM 0 H ALA A 61 19.973 19.044 -18.970 1.00 0.00 H new ATOM 0 HA ALA A 61 19.518 21.783 -18.554 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.758 21.032 -17.011 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.746 20.104 -18.530 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.427 19.383 -17.052 1.00 0.00 H new ATOM 1001 N TYR A 62 20.976 20.186 -16.077 1.00 0.00 N ATOM 1002 CA TYR A 62 21.758 20.373 -14.874 1.00 0.00 C ATOM 1003 C TYR A 62 22.976 21.241 -15.151 1.00 0.00 C ATOM 1004 O TYR A 62 23.314 22.098 -14.357 1.00 0.00 O ATOM 1005 CB TYR A 62 22.175 19.025 -14.285 1.00 0.00 C ATOM 1006 CG TYR A 62 23.073 19.135 -13.073 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.593 19.657 -11.872 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.394 18.709 -13.123 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.407 19.746 -10.761 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.213 18.797 -12.016 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.716 19.316 -10.839 1.00 0.00 C ATOM 1012 OH TYR A 62 25.531 19.407 -9.738 1.00 0.00 O ATOM 0 H TYR A 62 20.877 19.214 -16.368 1.00 0.00 H new ATOM 0 HA TYR A 62 21.136 20.887 -14.141 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.280 18.467 -14.012 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.688 18.447 -15.054 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.570 19.996 -11.811 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.787 18.302 -14.043 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.022 20.150 -9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.238 18.461 -12.071 1.00 0.00 H new ATOM 0 HH TYR A 62 26.421 19.061 -9.960 1.00 0.00 H new ATOM 1022 N GLU A 63 23.615 21.017 -16.288 1.00 0.00 N ATOM 1023 CA GLU A 63 24.804 21.764 -16.674 1.00 0.00 C ATOM 1024 C GLU A 63 24.603 23.277 -16.550 1.00 0.00 C ATOM 1025 O GLU A 63 25.345 23.951 -15.832 1.00 0.00 O ATOM 1026 CB GLU A 63 25.232 21.362 -18.091 1.00 0.00 C ATOM 1027 CG GLU A 63 26.437 22.107 -18.624 1.00 0.00 C ATOM 1028 CD GLU A 63 27.633 22.031 -17.709 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.153 20.927 -17.486 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.063 23.091 -17.211 1.00 0.00 O ATOM 0 H GLU A 63 23.326 20.314 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 63 25.606 21.509 -15.981 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.449 20.294 -18.101 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.393 21.523 -18.768 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.706 21.700 -19.599 1.00 0.00 H new ATOM 0 HG3 GLU A 63 26.171 23.153 -18.778 1.00 0.00 H new ATOM 1037 N VAL A 64 23.602 23.797 -17.216 1.00 0.00 N ATOM 1038 CA VAL A 64 23.307 25.213 -17.164 1.00 0.00 C ATOM 1039 C VAL A 64 22.468 25.603 -15.919 1.00 0.00 C ATOM 1040 O VAL A 64 22.693 26.637 -15.329 1.00 0.00 O ATOM 1041 CB VAL A 64 22.653 25.678 -18.495 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.196 24.483 -19.309 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.508 26.621 -18.251 1.00 0.00 C ATOM 0 H VAL A 64 22.970 23.257 -17.807 1.00 0.00 H new ATOM 0 HA VAL A 64 24.251 25.746 -17.052 1.00 0.00 H new ATOM 0 HB VAL A 64 23.410 26.220 -19.063 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.741 24.828 -20.237 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.053 23.850 -19.539 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.465 23.911 -18.737 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.077 26.924 -19.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.747 26.122 -17.651 1.00 0.00 H new ATOM 0 HG23 VAL A 64 21.869 27.502 -17.720 1.00 0.00 H new ATOM 1053 N LEU A 65 21.522 24.758 -15.535 1.00 0.00 N ATOM 1054 CA LEU A 65 20.643 25.036 -14.383 1.00 0.00 C ATOM 1055 C LEU A 65 21.404 25.071 -13.046 1.00 0.00 C ATOM 1056 O LEU A 65 21.073 25.858 -12.165 1.00 0.00 O ATOM 1057 CB LEU A 65 19.426 24.084 -14.350 1.00 0.00 C ATOM 1058 CG LEU A 65 18.169 24.564 -15.152 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.515 24.957 -16.582 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.089 23.494 -15.167 1.00 0.00 C ATOM 0 H LEU A 65 21.335 23.869 -15.999 1.00 0.00 H new ATOM 0 HA LEU A 65 20.253 26.044 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.735 23.114 -14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.135 23.931 -13.311 1.00 0.00 H new ATOM 0 HG LEU A 65 17.793 25.449 -14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.612 25.283 -17.098 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.240 25.771 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.941 24.099 -17.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.228 23.854 -15.730 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.478 22.591 -15.637 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.785 23.269 -14.145 1.00 0.00 H new ATOM 1072 N SER A 66 22.432 24.230 -12.896 1.00 0.00 N ATOM 1073 CA SER A 66 23.218 24.217 -11.659 1.00 0.00 C ATOM 1074 C SER A 66 24.085 25.468 -11.561 1.00 0.00 C ATOM 1075 O SER A 66 24.658 25.768 -10.510 1.00 0.00 O ATOM 1076 CB SER A 66 24.101 22.971 -11.581 1.00 0.00 C ATOM 1077 OG SER A 66 25.066 22.951 -12.619 1.00 0.00 O ATOM 0 H SER A 66 22.736 23.560 -13.603 1.00 0.00 H new ATOM 0 HA SER A 66 22.519 24.201 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.604 22.941 -10.615 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.479 22.078 -11.644 1.00 0.00 H new ATOM 0 HG SER A 66 24.647 22.644 -13.450 1.00 0.00 H new ATOM 1083 N ASP A 67 24.184 26.182 -12.657 1.00 0.00 N ATOM 1084 CA ASP A 67 24.952 27.397 -12.708 1.00 0.00 C ATOM 1085 C ASP A 67 24.037 28.553 -13.082 1.00 0.00 C ATOM 1086 O ASP A 67 23.706 28.740 -14.251 1.00 0.00 O ATOM 1087 CB ASP A 67 26.087 27.264 -13.723 1.00 0.00 C ATOM 1088 CG ASP A 67 27.094 28.376 -13.611 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.808 29.488 -14.063 1.00 0.00 O ATOM 1090 OD2 ASP A 67 28.190 28.135 -13.064 1.00 0.00 O ATOM 0 H ASP A 67 23.733 25.934 -13.538 1.00 0.00 H new ATOM 0 HA ASP A 67 25.392 27.589 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.589 26.308 -13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.670 27.256 -14.730 1.00 0.00 H new ATOM 1095 N ALA A 68 23.626 29.319 -12.085 1.00 0.00 N ATOM 1096 CA ALA A 68 22.698 30.433 -12.289 1.00 0.00 C ATOM 1097 C ALA A 68 23.166 31.380 -13.384 1.00 0.00 C ATOM 1098 O ALA A 68 22.347 32.030 -14.043 1.00 0.00 O ATOM 1099 CB ALA A 68 22.478 31.188 -10.991 1.00 0.00 C ATOM 0 H ALA A 68 23.920 29.193 -11.116 1.00 0.00 H new ATOM 0 HA ALA A 68 21.750 30.006 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.786 32.012 -11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.061 30.513 -10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.429 31.582 -10.633 1.00 0.00 H new ATOM 1105 N LYS A 69 24.472 31.462 -13.576 1.00 0.00 N ATOM 1106 CA LYS A 69 25.020 32.313 -14.598 1.00 0.00 C ATOM 1107 C LYS A 69 24.655 31.781 -15.978 1.00 0.00 C ATOM 1108 O LYS A 69 24.118 32.509 -16.799 1.00 0.00 O ATOM 1109 CB LYS A 69 26.536 32.415 -14.465 1.00 0.00 C ATOM 1110 CG LYS A 69 27.183 33.325 -15.490 1.00 0.00 C ATOM 1111 CD LYS A 69 28.693 33.334 -15.343 1.00 0.00 C ATOM 1112 CE LYS A 69 29.338 34.256 -16.362 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.816 34.229 -16.281 1.00 0.00 N ATOM 0 H LYS A 69 25.165 30.947 -13.034 1.00 0.00 H new ATOM 0 HA LYS A 69 24.595 33.309 -14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.780 32.778 -13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.967 31.418 -14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.915 32.995 -16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.798 34.338 -15.375 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.961 33.656 -14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.079 32.322 -15.468 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.025 33.963 -17.364 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.985 35.275 -16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.215 34.873 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 31.117 34.533 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.156 33.262 -16.459 1.00 0.00 H new ATOM 1127 N LYS A 70 24.913 30.488 -16.210 1.00 0.00 N ATOM 1128 CA LYS A 70 24.632 29.875 -17.496 1.00 0.00 C ATOM 1129 C LYS A 70 23.149 29.880 -17.768 1.00 0.00 C ATOM 1130 O LYS A 70 22.716 30.085 -18.903 1.00 0.00 O ATOM 1131 CB LYS A 70 25.191 28.464 -17.560 1.00 0.00 C ATOM 1132 CG LYS A 70 26.709 28.430 -17.500 1.00 0.00 C ATOM 1133 CD LYS A 70 27.251 27.015 -17.523 1.00 0.00 C ATOM 1134 CE LYS A 70 26.929 26.325 -18.837 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.662 25.049 -18.983 1.00 0.00 N ATOM 0 H LYS A 70 25.315 29.854 -15.519 1.00 0.00 H new ATOM 0 HA LYS A 70 25.125 30.463 -18.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.786 27.880 -16.734 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.857 27.987 -18.482 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.117 28.987 -18.343 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.046 28.932 -16.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.331 27.034 -17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.825 26.446 -16.697 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.857 26.137 -18.895 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.182 26.986 -19.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.281 24.521 -19.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.671 25.244 -19.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.549 24.483 -18.118 1.00 0.00 H new ATOM 1149 N ARG A 71 22.371 29.653 -16.718 1.00 0.00 N ATOM 1150 CA ARG A 71 20.922 29.700 -16.811 1.00 0.00 C ATOM 1151 C ARG A 71 20.481 31.064 -17.309 1.00 0.00 C ATOM 1152 O ARG A 71 19.632 31.172 -18.192 1.00 0.00 O ATOM 1153 CB ARG A 71 20.296 29.440 -15.433 1.00 0.00 C ATOM 1154 CG ARG A 71 18.776 29.507 -15.429 1.00 0.00 C ATOM 1155 CD ARG A 71 18.207 29.368 -14.023 1.00 0.00 C ATOM 1156 NE ARG A 71 16.750 29.519 -14.013 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.023 29.845 -12.932 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.613 30.026 -11.756 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.707 29.999 -13.033 1.00 0.00 N ATOM 0 H ARG A 71 22.725 29.433 -15.787 1.00 0.00 H new ATOM 0 HA ARG A 71 20.592 28.931 -17.509 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.608 28.457 -15.082 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.685 30.170 -14.723 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.453 30.455 -15.860 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.376 28.716 -16.063 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.475 28.393 -13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.656 30.119 -13.373 1.00 0.00 H new ATOM 0 HE ARG A 71 16.252 29.366 -14.890 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.624 29.918 -11.670 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.056 30.274 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.246 29.870 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.158 30.247 -12.210 1.00 0.00 H new ATOM 1173 N GLU A 72 21.098 32.100 -16.768 1.00 0.00 N ATOM 1174 CA GLU A 72 20.729 33.438 -17.082 1.00 0.00 C ATOM 1175 C GLU A 72 21.173 33.802 -18.481 1.00 0.00 C ATOM 1176 O GLU A 72 20.460 34.499 -19.201 1.00 0.00 O ATOM 1177 CB GLU A 72 21.319 34.398 -16.070 1.00 0.00 C ATOM 1178 CG GLU A 72 20.814 35.796 -16.242 1.00 0.00 C ATOM 1179 CD GLU A 72 21.363 36.762 -15.227 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.981 36.314 -14.242 1.00 0.00 O ATOM 1181 OE2 GLU A 72 21.149 37.978 -15.393 1.00 0.00 O ATOM 0 H GLU A 72 21.866 32.020 -16.101 1.00 0.00 H new ATOM 0 HA GLU A 72 19.642 33.514 -17.040 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.082 34.051 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.405 34.394 -16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.071 36.146 -17.242 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.726 35.791 -16.176 1.00 0.00 H new ATOM 1188 N LEU A 73 22.355 33.335 -18.869 1.00 0.00 N ATOM 1189 CA LEU A 73 22.875 33.616 -20.176 1.00 0.00 C ATOM 1190 C LEU A 73 21.998 32.975 -21.223 1.00 0.00 C ATOM 1191 O LEU A 73 21.709 33.577 -22.263 1.00 0.00 O ATOM 1192 CB LEU A 73 24.297 33.091 -20.305 1.00 0.00 C ATOM 1193 CG LEU A 73 25.270 33.499 -19.204 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.679 33.068 -19.542 1.00 0.00 C ATOM 1195 CD2 LEU A 73 25.194 34.989 -18.930 1.00 0.00 C ATOM 0 H LEU A 73 22.963 32.760 -18.285 1.00 0.00 H new ATOM 0 HA LEU A 73 22.885 34.696 -20.324 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.258 32.002 -20.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.701 33.427 -21.260 1.00 0.00 H new ATOM 0 HG LEU A 73 24.978 32.985 -18.288 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.354 33.371 -18.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.711 31.984 -19.654 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.989 33.538 -20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.899 35.250 -18.141 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.445 35.539 -19.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.184 35.250 -18.615 1.00 0.00 H new ATOM 1207 N TYR A 74 21.563 31.755 -20.940 1.00 0.00 N ATOM 1208 CA TYR A 74 20.707 31.030 -21.847 1.00 0.00 C ATOM 1209 C TYR A 74 19.397 31.785 -22.026 1.00 0.00 C ATOM 1210 O TYR A 74 18.873 31.896 -23.137 1.00 0.00 O ATOM 1211 CB TYR A 74 20.463 29.600 -21.346 1.00 0.00 C ATOM 1212 CG TYR A 74 19.912 28.677 -22.411 1.00 0.00 C ATOM 1213 CD1 TYR A 74 20.772 27.997 -23.268 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.548 28.491 -22.569 1.00 0.00 C ATOM 1215 CE1 TYR A 74 20.289 27.160 -24.246 1.00 0.00 C ATOM 1216 CE2 TYR A 74 18.055 27.650 -23.550 1.00 0.00 C ATOM 1217 CZ TYR A 74 18.933 26.989 -24.387 1.00 0.00 C ATOM 1218 OH TYR A 74 18.448 26.149 -25.363 1.00 0.00 O ATOM 0 H TYR A 74 21.794 31.251 -20.084 1.00 0.00 H new ATOM 0 HA TYR A 74 21.200 30.953 -22.816 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.400 29.190 -20.969 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.768 29.630 -20.507 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.839 28.129 -23.163 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.861 29.010 -21.917 1.00 0.00 H new ATOM 0 HE1 TYR A 74 20.972 26.639 -24.900 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.990 27.511 -23.661 1.00 0.00 H new ATOM 0 HH TYR A 74 18.538 25.219 -25.068 1.00 0.00 H new ATOM 1228 N ASP A 75 18.872 32.295 -20.923 1.00 0.00 N ATOM 1229 CA ASP A 75 17.668 33.129 -20.955 1.00 0.00 C ATOM 1230 C ASP A 75 17.892 34.421 -21.742 1.00 0.00 C ATOM 1231 O ASP A 75 16.993 34.896 -22.433 1.00 0.00 O ATOM 1232 CB ASP A 75 17.166 33.460 -19.540 1.00 0.00 C ATOM 1233 CG ASP A 75 16.183 32.445 -19.002 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.011 32.464 -19.455 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.550 31.653 -18.110 1.00 0.00 O ATOM 0 H ASP A 75 19.257 32.149 -19.990 1.00 0.00 H new ATOM 0 HA ASP A 75 16.903 32.544 -21.465 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.019 33.523 -18.865 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.694 34.443 -19.550 1.00 0.00 H new ATOM 1240 N LYS A 76 19.082 34.999 -21.619 1.00 0.00 N ATOM 1241 CA LYS A 76 19.403 36.247 -22.324 1.00 0.00 C ATOM 1242 C LYS A 76 19.551 36.041 -23.831 1.00 0.00 C ATOM 1243 O LYS A 76 18.985 36.790 -24.633 1.00 0.00 O ATOM 1244 CB LYS A 76 20.677 36.900 -21.766 1.00 0.00 C ATOM 1245 CG LYS A 76 20.551 37.471 -20.358 1.00 0.00 C ATOM 1246 CD LYS A 76 19.545 38.612 -20.312 1.00 0.00 C ATOM 1247 CE LYS A 76 19.551 39.323 -18.959 1.00 0.00 C ATOM 1248 NZ LYS A 76 19.155 38.435 -17.834 1.00 0.00 N ATOM 0 H LYS A 76 19.839 34.631 -21.043 1.00 0.00 H new ATOM 0 HA LYS A 76 18.559 36.915 -22.153 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.477 36.160 -21.770 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.980 37.701 -22.440 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.243 36.684 -19.670 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.524 37.827 -20.019 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.774 39.329 -21.100 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.547 38.224 -20.514 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.548 39.720 -18.768 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.871 40.174 -18.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.339 38.846 -17.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.899 37.498 -18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.950 38.339 -17.171 1.00 0.00 H new ATOM 1262 N GLY A 77 20.292 35.028 -24.209 1.00 0.00 N ATOM 1263 CA GLY A 77 20.533 34.778 -25.607 1.00 0.00 C ATOM 1264 C GLY A 77 21.619 33.754 -25.816 1.00 0.00 C ATOM 1265 O GLY A 77 22.810 34.132 -25.833 1.00 0.00 O ATOM 1266 OXT GLY A 77 21.294 32.562 -25.969 1.00 0.00 O ATOM 0 H GLY A 77 20.736 34.367 -23.571 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.613 34.432 -26.078 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.813 35.709 -26.099 1.00 0.00 H new TER 1270 GLY A 77