USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 871 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 82 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 HIS : no HE2:sc= 0.432 K(o=0.95,f=-0.18) USER MOD Set 2.2: A 54 TYR OH : rot -12:sc= 0.522 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.868 USER MOD Single : A 5 SER OG : rot -56:sc= 0.168 USER MOD Single : A 6 SER OG : rot 25:sc= 0.389 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 136:sc= -0.59 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.4!) USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= -0.889 (180deg=-2.68!) USER MOD Single : A 33 ASN : amide:sc= 0.427 K(o=0.43,f=-1.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.017) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.948 (180deg=-0.366) USER MOD Single : A 57 GLN : amide:sc= -4.06! C(o=-4.1!,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00714) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.57) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -3.8! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= -1.05 (180deg=-3.21!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0.0204 (180deg=0.016) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -119:sc= -0.83 (180deg=-2.83!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.2!) USER MOD Single : A 100 SER OG : rot 30:sc= 0.133 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.127 K(o=-0.13,f=-4!) USER MOD Single : A 109 SER OG : rot -8:sc= 0.496 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.992 32.605 0.565 1.00 0.00 N ATOM 2 CA GLY A 1 -25.713 31.655 -0.496 1.00 0.00 C ATOM 3 C GLY A 1 -24.542 32.079 -1.360 1.00 0.00 C ATOM 4 O GLY A 1 -24.728 32.558 -2.478 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.800 32.270 1.127 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.157 32.695 1.179 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.219 33.532 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.504 30.678 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.599 31.542 -1.120 1.00 0.00 H new ATOM 8 N SER A 2 -23.331 31.904 -0.839 1.00 0.00 N ATOM 9 CA SER A 2 -22.125 32.277 -1.568 1.00 0.00 C ATOM 10 C SER A 2 -21.073 31.176 -1.477 1.00 0.00 C ATOM 11 O SER A 2 -20.643 30.802 -0.386 1.00 0.00 O ATOM 12 CB SER A 2 -21.557 33.587 -1.020 1.00 0.00 C ATOM 13 OG SER A 2 -20.598 34.138 -1.907 1.00 0.00 O ATOM 0 H SER A 2 -23.160 31.506 0.085 1.00 0.00 H new ATOM 0 HA SER A 2 -22.392 32.415 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.366 34.301 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.098 33.409 -0.048 1.00 0.00 H new ATOM 0 HG SER A 2 -20.251 34.976 -1.535 1.00 0.00 H new ATOM 19 N SER A 3 -20.663 30.660 -2.632 1.00 0.00 N ATOM 20 CA SER A 3 -19.664 29.599 -2.683 1.00 0.00 C ATOM 21 C SER A 3 -18.322 30.089 -2.147 1.00 0.00 C ATOM 22 O SER A 3 -17.603 30.826 -2.822 1.00 0.00 O ATOM 23 CB SER A 3 -19.499 29.094 -4.118 1.00 0.00 C ATOM 24 OG SER A 3 -19.063 30.133 -4.977 1.00 0.00 O ATOM 0 H SER A 3 -21.007 30.960 -3.544 1.00 0.00 H new ATOM 0 HA SER A 3 -20.009 28.779 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.780 28.275 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.447 28.694 -4.478 1.00 0.00 H new ATOM 0 HG SER A 3 -18.422 30.702 -4.503 1.00 0.00 H new ATOM 30 N GLY A 4 -17.991 29.674 -0.928 1.00 0.00 N ATOM 31 CA GLY A 4 -16.737 30.081 -0.321 1.00 0.00 C ATOM 32 C GLY A 4 -16.498 29.412 1.018 1.00 0.00 C ATOM 33 O GLY A 4 -16.107 28.246 1.076 1.00 0.00 O ATOM 0 H GLY A 4 -18.569 29.063 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.915 29.841 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.735 31.163 -0.189 1.00 0.00 H new ATOM 37 N SER A 5 -16.732 30.152 2.097 1.00 0.00 N ATOM 38 CA SER A 5 -16.534 29.625 3.443 1.00 0.00 C ATOM 39 C SER A 5 -15.049 29.441 3.741 1.00 0.00 C ATOM 40 O SER A 5 -14.642 28.439 4.328 1.00 0.00 O ATOM 41 CB SER A 5 -17.267 28.292 3.604 1.00 0.00 C ATOM 42 OG SER A 5 -17.363 27.924 4.969 1.00 0.00 O ATOM 0 H SER A 5 -17.059 31.118 2.066 1.00 0.00 H new ATOM 0 HA SER A 5 -16.943 30.344 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.266 28.368 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.740 27.515 3.051 1.00 0.00 H new ATOM 0 HG SER A 5 -16.467 27.900 5.365 1.00 0.00 H new ATOM 48 N SER A 6 -14.245 30.417 3.331 1.00 0.00 N ATOM 49 CA SER A 6 -12.804 30.362 3.551 1.00 0.00 C ATOM 50 C SER A 6 -12.407 31.201 4.762 1.00 0.00 C ATOM 51 O SER A 6 -12.660 32.403 4.808 1.00 0.00 O ATOM 52 CB SER A 6 -12.059 30.854 2.309 1.00 0.00 C ATOM 53 OG SER A 6 -12.225 32.251 2.135 1.00 0.00 O ATOM 0 H SER A 6 -14.566 31.254 2.845 1.00 0.00 H new ATOM 0 HA SER A 6 -12.530 29.325 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.999 30.619 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.427 30.328 1.428 1.00 0.00 H new ATOM 0 HG SER A 6 -12.418 32.668 3.001 1.00 0.00 H new ATOM 59 N GLY A 7 -11.782 30.555 5.742 1.00 0.00 N ATOM 60 CA GLY A 7 -11.359 31.255 6.941 1.00 0.00 C ATOM 61 C GLY A 7 -11.051 30.311 8.086 1.00 0.00 C ATOM 62 O GLY A 7 -9.934 30.294 8.602 1.00 0.00 O ATOM 0 H GLY A 7 -11.561 29.559 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.474 31.850 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.141 31.950 7.247 1.00 0.00 H new ATOM 66 N MET A 8 -12.044 29.523 8.485 1.00 0.00 N ATOM 67 CA MET A 8 -11.873 28.572 9.577 1.00 0.00 C ATOM 68 C MET A 8 -10.495 27.921 9.520 1.00 0.00 C ATOM 69 O MET A 8 -10.216 27.113 8.634 1.00 0.00 O ATOM 70 CB MET A 8 -12.960 27.497 9.521 1.00 0.00 C ATOM 71 CG MET A 8 -14.360 28.035 9.769 1.00 0.00 C ATOM 72 SD MET A 8 -15.185 28.555 8.252 1.00 0.00 S ATOM 73 CE MET A 8 -16.603 29.422 8.918 1.00 0.00 C ATOM 0 H MET A 8 -12.975 29.524 8.069 1.00 0.00 H new ATOM 0 HA MET A 8 -11.959 29.117 10.517 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.933 27.015 8.544 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.738 26.729 10.262 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.959 27.267 10.258 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.304 28.880 10.455 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.213 29.804 8.100 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.196 28.737 9.524 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.264 30.253 9.536 1.00 0.00 H new ATOM 83 N SER A 9 -9.637 28.279 10.470 1.00 0.00 N ATOM 84 CA SER A 9 -8.286 27.732 10.525 1.00 0.00 C ATOM 85 C SER A 9 -8.303 26.290 11.023 1.00 0.00 C ATOM 86 O SER A 9 -8.505 26.034 12.210 1.00 0.00 O ATOM 87 CB SER A 9 -7.404 28.588 11.436 1.00 0.00 C ATOM 88 OG SER A 9 -6.059 28.140 11.411 1.00 0.00 O ATOM 0 H SER A 9 -9.853 28.945 11.212 1.00 0.00 H new ATOM 0 HA SER A 9 -7.874 27.744 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.450 29.629 11.118 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.785 28.550 12.457 1.00 0.00 H new ATOM 0 HG SER A 9 -5.515 28.704 12.000 1.00 0.00 H new ATOM 94 N SER A 10 -8.090 25.352 10.106 1.00 0.00 N ATOM 95 CA SER A 10 -8.085 23.935 10.450 1.00 0.00 C ATOM 96 C SER A 10 -7.108 23.165 9.567 1.00 0.00 C ATOM 97 O SER A 10 -6.485 23.732 8.667 1.00 0.00 O ATOM 98 CB SER A 10 -9.491 23.348 10.306 1.00 0.00 C ATOM 99 OG SER A 10 -9.665 22.227 11.155 1.00 0.00 O ATOM 0 H SER A 10 -7.919 25.547 9.120 1.00 0.00 H new ATOM 0 HA SER A 10 -7.764 23.840 11.487 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.233 24.109 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.661 23.054 9.270 1.00 0.00 H new ATOM 0 HG SER A 10 -10.572 21.871 11.046 1.00 0.00 H new ATOM 105 N THR A 11 -6.977 21.868 9.830 1.00 0.00 N ATOM 106 CA THR A 11 -6.075 21.020 9.061 1.00 0.00 C ATOM 107 C THR A 11 -6.600 20.797 7.648 1.00 0.00 C ATOM 108 O THR A 11 -7.759 21.088 7.353 1.00 0.00 O ATOM 109 CB THR A 11 -5.872 19.653 9.743 1.00 0.00 C ATOM 110 OG1 THR A 11 -4.734 18.990 9.181 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.106 18.779 9.581 1.00 0.00 C ATOM 0 H THR A 11 -7.484 21.382 10.570 1.00 0.00 H new ATOM 0 HA THR A 11 -5.118 21.540 9.012 1.00 0.00 H new ATOM 0 HB THR A 11 -5.704 19.823 10.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.194 18.600 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.939 17.819 10.070 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.964 19.274 10.035 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.300 18.617 8.521 1.00 0.00 H new ATOM 119 N SER A 12 -5.741 20.278 6.777 1.00 0.00 N ATOM 120 CA SER A 12 -6.118 20.019 5.392 1.00 0.00 C ATOM 121 C SER A 12 -6.878 18.701 5.274 1.00 0.00 C ATOM 122 O SER A 12 -6.799 17.830 6.141 1.00 0.00 O ATOM 123 CB SER A 12 -4.876 19.986 4.500 1.00 0.00 C ATOM 124 OG SER A 12 -4.528 21.289 4.063 1.00 0.00 O ATOM 0 H SER A 12 -4.779 20.028 7.006 1.00 0.00 H new ATOM 0 HA SER A 12 -6.771 20.827 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.042 19.548 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.061 19.347 3.637 1.00 0.00 H new ATOM 0 HG SER A 12 -3.730 21.242 3.496 1.00 0.00 H new ATOM 130 N PRO A 13 -7.631 18.550 4.175 1.00 0.00 N ATOM 131 CA PRO A 13 -8.420 17.341 3.916 1.00 0.00 C ATOM 132 C PRO A 13 -7.543 16.134 3.599 1.00 0.00 C ATOM 133 O PRO A 13 -7.820 15.021 4.044 1.00 0.00 O ATOM 134 CB PRO A 13 -9.264 17.723 2.697 1.00 0.00 C ATOM 135 CG PRO A 13 -8.479 18.789 2.012 1.00 0.00 C ATOM 136 CD PRO A 13 -7.772 19.547 3.101 1.00 0.00 C ATOM 0 HA PRO A 13 -9.009 17.045 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.424 16.866 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.248 18.085 2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.765 18.358 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.132 19.447 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.803 19.918 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.349 20.412 3.429 1.00 0.00 H new ATOM 144 N ASN A 14 -6.485 16.363 2.829 1.00 0.00 N ATOM 145 CA ASN A 14 -5.567 15.293 2.454 1.00 0.00 C ATOM 146 C ASN A 14 -4.837 14.748 3.677 1.00 0.00 C ATOM 147 O ASN A 14 -4.743 13.535 3.869 1.00 0.00 O ATOM 148 CB ASN A 14 -4.554 15.799 1.425 1.00 0.00 C ATOM 149 CG ASN A 14 -5.215 16.258 0.140 1.00 0.00 C ATOM 150 OD1 ASN A 14 -5.669 17.397 0.034 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.272 15.369 -0.845 1.00 0.00 N ATOM 0 H ASN A 14 -6.242 17.279 2.452 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.151 14.486 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.987 16.625 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.841 15.006 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.705 15.620 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.882 14.436 -0.713 1.00 0.00 H new ATOM 158 N LEU A 15 -4.323 15.652 4.504 1.00 0.00 N ATOM 159 CA LEU A 15 -3.601 15.262 5.711 1.00 0.00 C ATOM 160 C LEU A 15 -4.506 14.481 6.658 1.00 0.00 C ATOM 161 O LEU A 15 -4.172 13.373 7.077 1.00 0.00 O ATOM 162 CB LEU A 15 -3.049 16.500 6.420 1.00 0.00 C ATOM 163 CG LEU A 15 -2.392 16.257 7.779 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.291 15.214 7.661 1.00 0.00 C ATOM 165 CD2 LEU A 15 -1.839 17.557 8.345 1.00 0.00 C ATOM 0 H LEU A 15 -4.393 16.660 4.361 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.772 14.618 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.318 16.974 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.864 17.211 6.555 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.150 15.879 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.835 15.054 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.715 14.277 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.533 15.563 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.375 17.364 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.095 17.964 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.650 18.275 8.468 1.00 0.00 H new ATOM 177 N GLN A 16 -5.654 15.064 6.987 1.00 0.00 N ATOM 178 CA GLN A 16 -6.607 14.421 7.884 1.00 0.00 C ATOM 179 C GLN A 16 -6.827 12.964 7.490 1.00 0.00 C ATOM 180 O GLN A 16 -6.814 12.072 8.338 1.00 0.00 O ATOM 181 CB GLN A 16 -7.940 15.172 7.869 1.00 0.00 C ATOM 182 CG GLN A 16 -8.965 14.613 8.842 1.00 0.00 C ATOM 183 CD GLN A 16 -8.521 14.729 10.287 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.900 15.665 10.992 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.713 13.776 10.737 1.00 0.00 N ATOM 0 H GLN A 16 -5.947 15.980 6.646 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.194 14.448 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.759 16.220 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.354 15.141 6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.909 15.141 8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.151 13.565 8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.424 13.018 10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.382 13.802 11.701 1.00 0.00 H new ATOM 194 N LYS A 17 -7.029 12.730 6.198 1.00 0.00 N ATOM 195 CA LYS A 17 -7.251 11.381 5.691 1.00 0.00 C ATOM 196 C LYS A 17 -6.071 10.473 6.024 1.00 0.00 C ATOM 197 O LYS A 17 -6.254 9.347 6.484 1.00 0.00 O ATOM 198 CB LYS A 17 -7.472 11.414 4.176 1.00 0.00 C ATOM 199 CG LYS A 17 -7.771 10.051 3.576 1.00 0.00 C ATOM 200 CD LYS A 17 -8.622 10.169 2.322 1.00 0.00 C ATOM 201 CE LYS A 17 -9.322 8.858 1.998 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.323 9.018 0.908 1.00 0.00 N ATOM 0 H LYS A 17 -7.044 13.457 5.483 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.142 10.980 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.298 12.089 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.584 11.826 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.836 9.545 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.288 9.434 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.365 10.955 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.994 10.465 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.582 8.114 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.817 8.480 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.778 8.102 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.044 9.709 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.847 9.354 0.047 1.00 0.00 H new ATOM 216 N ALA A 18 -4.862 10.972 5.789 1.00 0.00 N ATOM 217 CA ALA A 18 -3.653 10.207 6.068 1.00 0.00 C ATOM 218 C ALA A 18 -3.636 9.715 7.511 1.00 0.00 C ATOM 219 O ALA A 18 -3.316 8.555 7.777 1.00 0.00 O ATOM 220 CB ALA A 18 -2.418 11.049 5.780 1.00 0.00 C ATOM 0 H ALA A 18 -4.694 11.902 5.406 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.645 9.335 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.522 10.466 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.417 11.346 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.429 11.939 6.410 1.00 0.00 H new ATOM 226 N ILE A 19 -3.980 10.602 8.438 1.00 0.00 N ATOM 227 CA ILE A 19 -4.004 10.256 9.854 1.00 0.00 C ATOM 228 C ILE A 19 -4.942 9.083 10.117 1.00 0.00 C ATOM 229 O ILE A 19 -4.516 8.027 10.584 1.00 0.00 O ATOM 230 CB ILE A 19 -4.440 11.453 10.719 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.440 12.602 10.580 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.575 11.033 12.175 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.032 13.959 10.890 1.00 0.00 C ATOM 0 H ILE A 19 -4.246 11.565 8.234 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.987 9.973 10.127 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.413 11.800 10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.597 12.422 11.247 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.047 12.610 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.884 11.890 12.774 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.322 10.244 12.258 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.616 10.664 12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.266 14.726 10.771 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.857 14.161 10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.400 13.970 11.916 1.00 0.00 H new ATOM 245 N ASP A 20 -6.221 9.276 9.814 1.00 0.00 N ATOM 246 CA ASP A 20 -7.220 8.234 10.015 1.00 0.00 C ATOM 247 C ASP A 20 -6.768 6.918 9.388 1.00 0.00 C ATOM 248 O ASP A 20 -6.875 5.856 10.002 1.00 0.00 O ATOM 249 CB ASP A 20 -8.562 8.662 9.418 1.00 0.00 C ATOM 250 CG ASP A 20 -9.741 8.032 10.133 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.598 6.892 10.622 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.807 8.679 10.204 1.00 0.00 O ATOM 0 H ASP A 20 -6.590 10.145 9.428 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.339 8.083 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.649 9.747 9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.591 8.388 8.364 1.00 0.00 H new ATOM 257 N LEU A 21 -6.263 6.996 8.162 1.00 0.00 N ATOM 258 CA LEU A 21 -5.794 5.812 7.451 1.00 0.00 C ATOM 259 C LEU A 21 -4.726 5.080 8.257 1.00 0.00 C ATOM 260 O LEU A 21 -4.893 3.913 8.611 1.00 0.00 O ATOM 261 CB LEU A 21 -5.237 6.203 6.081 1.00 0.00 C ATOM 262 CG LEU A 21 -6.271 6.549 5.009 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.601 7.213 3.816 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.026 5.302 4.574 1.00 0.00 C ATOM 0 H LEU A 21 -6.168 7.867 7.639 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.642 5.141 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.577 7.061 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.623 5.381 5.713 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.987 7.252 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.352 7.452 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.107 8.129 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.863 6.534 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.758 5.567 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.324 4.575 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.539 4.869 5.433 1.00 0.00 H new ATOM 276 N ALA A 22 -3.630 5.774 8.545 1.00 0.00 N ATOM 277 CA ALA A 22 -2.537 5.191 9.314 1.00 0.00 C ATOM 278 C ALA A 22 -3.040 4.614 10.632 1.00 0.00 C ATOM 279 O ALA A 22 -2.657 3.511 11.024 1.00 0.00 O ATOM 280 CB ALA A 22 -1.457 6.232 9.568 1.00 0.00 C ATOM 0 H ALA A 22 -3.475 6.740 8.258 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.109 4.375 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.647 5.783 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.069 6.593 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.880 7.066 10.127 1.00 0.00 H new ATOM 286 N SER A 23 -3.898 5.366 11.314 1.00 0.00 N ATOM 287 CA SER A 23 -4.449 4.930 12.591 1.00 0.00 C ATOM 288 C SER A 23 -5.238 3.634 12.429 1.00 0.00 C ATOM 289 O SER A 23 -5.086 2.698 13.215 1.00 0.00 O ATOM 290 CB SER A 23 -5.350 6.018 13.180 1.00 0.00 C ATOM 291 OG SER A 23 -5.479 5.869 14.583 1.00 0.00 O ATOM 0 H SER A 23 -4.226 6.280 11.003 1.00 0.00 H new ATOM 0 HA SER A 23 -3.619 4.747 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.936 7.000 12.952 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.334 5.971 12.714 1.00 0.00 H new ATOM 0 HG SER A 23 -6.058 6.577 14.935 1.00 0.00 H new ATOM 297 N LYS A 24 -6.081 3.587 11.404 1.00 0.00 N ATOM 298 CA LYS A 24 -6.894 2.406 11.135 1.00 0.00 C ATOM 299 C LYS A 24 -6.016 1.178 10.922 1.00 0.00 C ATOM 300 O LYS A 24 -6.325 0.090 11.409 1.00 0.00 O ATOM 301 CB LYS A 24 -7.774 2.637 9.904 1.00 0.00 C ATOM 302 CG LYS A 24 -9.074 1.852 9.930 1.00 0.00 C ATOM 303 CD LYS A 24 -9.887 2.079 8.667 1.00 0.00 C ATOM 304 CE LYS A 24 -11.080 1.138 8.595 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.252 1.669 9.345 1.00 0.00 N ATOM 0 H LYS A 24 -6.220 4.353 10.745 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.531 2.229 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.003 3.700 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.213 2.365 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.856 0.789 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.661 2.147 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.235 3.112 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.252 1.931 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.357 0.982 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.800 0.165 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.044 0.999 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.996 1.794 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.535 2.585 8.943 1.00 0.00 H new ATOM 319 N ALA A 25 -4.919 1.359 10.194 1.00 0.00 N ATOM 320 CA ALA A 25 -3.994 0.266 9.920 1.00 0.00 C ATOM 321 C ALA A 25 -3.705 -0.537 11.184 1.00 0.00 C ATOM 322 O ALA A 25 -3.971 -1.737 11.243 1.00 0.00 O ATOM 323 CB ALA A 25 -2.701 0.804 9.327 1.00 0.00 C ATOM 0 H ALA A 25 -4.649 2.253 9.783 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.462 -0.401 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.020 -0.024 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.918 1.328 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.237 1.494 10.032 1.00 0.00 H new ATOM 329 N ALA A 26 -3.157 0.132 12.192 1.00 0.00 N ATOM 330 CA ALA A 26 -2.832 -0.519 13.455 1.00 0.00 C ATOM 331 C ALA A 26 -4.042 -1.255 14.020 1.00 0.00 C ATOM 332 O ALA A 26 -3.995 -2.464 14.245 1.00 0.00 O ATOM 333 CB ALA A 26 -2.316 0.502 14.459 1.00 0.00 C ATOM 0 H ALA A 26 -2.928 1.126 12.159 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.049 -1.253 13.266 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.077 0.001 15.397 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.419 0.979 14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.081 1.258 14.635 1.00 0.00 H new ATOM 339 N GLN A 27 -5.124 -0.517 14.248 1.00 0.00 N ATOM 340 CA GLN A 27 -6.346 -1.101 14.789 1.00 0.00 C ATOM 341 C GLN A 27 -6.618 -2.467 14.168 1.00 0.00 C ATOM 342 O GLN A 27 -6.903 -3.434 14.873 1.00 0.00 O ATOM 343 CB GLN A 27 -7.534 -0.169 14.542 1.00 0.00 C ATOM 344 CG GLN A 27 -7.337 1.230 15.103 1.00 0.00 C ATOM 345 CD GLN A 27 -8.644 1.894 15.486 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.695 1.253 15.514 1.00 0.00 O ATOM 347 NE2 GLN A 27 -8.587 3.187 15.784 1.00 0.00 N ATOM 0 H GLN A 27 -5.179 0.485 14.067 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.212 -1.231 15.863 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.713 -0.099 13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.427 -0.607 14.987 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.690 1.178 15.979 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.824 1.845 14.363 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.695 3.680 15.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.436 3.687 16.049 1.00 0.00 H new ATOM 356 N GLU A 28 -6.528 -2.538 12.843 1.00 0.00 N ATOM 357 CA GLU A 28 -6.766 -3.786 12.128 1.00 0.00 C ATOM 358 C GLU A 28 -5.795 -4.870 12.587 1.00 0.00 C ATOM 359 O GLU A 28 -6.206 -5.966 12.967 1.00 0.00 O ATOM 360 CB GLU A 28 -6.629 -3.569 10.619 1.00 0.00 C ATOM 361 CG GLU A 28 -7.765 -2.761 10.015 1.00 0.00 C ATOM 362 CD GLU A 28 -9.126 -3.366 10.297 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.458 -4.396 9.675 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.859 -2.809 11.140 1.00 0.00 O ATOM 0 H GLU A 28 -6.292 -1.747 12.244 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.781 -4.114 12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.686 -3.061 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.581 -4.539 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.734 -1.746 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.621 -2.688 8.937 1.00 0.00 H new ATOM 371 N ASP A 29 -4.505 -4.555 12.548 1.00 0.00 N ATOM 372 CA ASP A 29 -3.474 -5.501 12.961 1.00 0.00 C ATOM 373 C ASP A 29 -3.816 -6.123 14.311 1.00 0.00 C ATOM 374 O ASP A 29 -3.915 -7.343 14.438 1.00 0.00 O ATOM 375 CB ASP A 29 -2.114 -4.806 13.035 1.00 0.00 C ATOM 376 CG ASP A 29 -0.993 -5.763 13.390 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.861 -6.105 14.583 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.248 -6.170 12.473 1.00 0.00 O ATOM 0 H ASP A 29 -4.148 -3.652 12.235 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.427 -6.296 12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.897 -4.336 12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.156 -4.009 13.778 1.00 0.00 H new ATOM 383 N LYS A 30 -3.995 -5.275 15.319 1.00 0.00 N ATOM 384 CA LYS A 30 -4.326 -5.739 16.660 1.00 0.00 C ATOM 385 C LYS A 30 -5.426 -6.796 16.615 1.00 0.00 C ATOM 386 O LYS A 30 -5.276 -7.886 17.166 1.00 0.00 O ATOM 387 CB LYS A 30 -4.769 -4.564 17.535 1.00 0.00 C ATOM 388 CG LYS A 30 -4.495 -4.769 19.014 1.00 0.00 C ATOM 389 CD LYS A 30 -3.081 -4.353 19.383 1.00 0.00 C ATOM 390 CE LYS A 30 -2.968 -2.846 19.547 1.00 0.00 C ATOM 391 NZ LYS A 30 -2.689 -2.166 18.252 1.00 0.00 N ATOM 0 H LYS A 30 -3.916 -4.262 15.231 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.432 -6.188 17.092 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.258 -3.661 17.201 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.837 -4.398 17.392 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.210 -4.192 19.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.645 -5.818 19.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.787 -4.844 20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.389 -4.689 18.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.894 -2.456 19.970 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.173 -2.617 20.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.940 -1.457 18.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.379 -2.869 17.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.553 -1.696 17.913 1.00 0.00 H new ATOM 405 N ALA A 31 -6.530 -6.465 15.953 1.00 0.00 N ATOM 406 CA ALA A 31 -7.653 -7.387 15.833 1.00 0.00 C ATOM 407 C ALA A 31 -7.232 -8.677 15.138 1.00 0.00 C ATOM 408 O ALA A 31 -7.714 -9.759 15.472 1.00 0.00 O ATOM 409 CB ALA A 31 -8.798 -6.728 15.078 1.00 0.00 C ATOM 0 H ALA A 31 -6.671 -5.566 15.492 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.992 -7.640 16.837 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.630 -7.428 14.996 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.124 -5.838 15.616 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.461 -6.446 14.080 1.00 0.00 H new ATOM 415 N GLY A 32 -6.329 -8.556 14.170 1.00 0.00 N ATOM 416 CA GLY A 32 -5.859 -9.720 13.443 1.00 0.00 C ATOM 417 C GLY A 32 -5.982 -9.555 11.941 1.00 0.00 C ATOM 418 O GLY A 32 -5.941 -10.534 11.197 1.00 0.00 O ATOM 0 H GLY A 32 -5.914 -7.672 13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.817 -9.909 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.428 -10.595 13.757 1.00 0.00 H new ATOM 422 N ASN A 33 -6.135 -8.313 11.495 1.00 0.00 N ATOM 423 CA ASN A 33 -6.267 -8.023 10.071 1.00 0.00 C ATOM 424 C ASN A 33 -4.968 -7.453 9.510 1.00 0.00 C ATOM 425 O ASN A 33 -4.626 -6.297 9.760 1.00 0.00 O ATOM 426 CB ASN A 33 -7.414 -7.038 9.834 1.00 0.00 C ATOM 427 CG ASN A 33 -8.746 -7.736 9.642 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.804 -8.861 9.144 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.825 -7.072 10.038 1.00 0.00 N ATOM 0 H ASN A 33 -6.171 -7.491 12.098 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.487 -8.957 9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.484 -6.355 10.681 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.194 -6.433 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.749 -7.492 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.730 -6.142 10.446 1.00 0.00 H new ATOM 436 N TYR A 34 -4.250 -8.271 8.749 1.00 0.00 N ATOM 437 CA TYR A 34 -2.988 -7.850 8.153 1.00 0.00 C ATOM 438 C TYR A 34 -3.202 -7.324 6.737 1.00 0.00 C ATOM 439 O TYR A 34 -2.729 -6.244 6.387 1.00 0.00 O ATOM 440 CB TYR A 34 -1.996 -9.014 8.132 1.00 0.00 C ATOM 441 CG TYR A 34 -1.349 -9.284 9.472 1.00 0.00 C ATOM 442 CD1 TYR A 34 -2.096 -9.256 10.643 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.008 -9.566 9.567 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.510 -9.501 11.870 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.602 -9.813 10.789 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.161 -9.779 11.937 1.00 0.00 C ATOM 447 OH TYR A 34 0.428 -10.024 13.157 1.00 0.00 O ATOM 0 H TYR A 34 -4.520 -9.230 8.530 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.579 -7.044 8.762 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.513 -9.914 7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.218 -8.804 7.398 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.153 -9.039 10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.609 -9.593 8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.105 -9.475 12.771 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.658 -10.032 10.845 1.00 0.00 H new ATOM 0 HH TYR A 34 1.383 -10.204 13.029 1.00 0.00 H new ATOM 457 N GLU A 35 -3.921 -8.097 5.928 1.00 0.00 N ATOM 458 CA GLU A 35 -4.199 -7.710 4.550 1.00 0.00 C ATOM 459 C GLU A 35 -4.769 -6.295 4.487 1.00 0.00 C ATOM 460 O GLU A 35 -4.373 -5.493 3.642 1.00 0.00 O ATOM 461 CB GLU A 35 -5.177 -8.695 3.908 1.00 0.00 C ATOM 462 CG GLU A 35 -4.980 -8.859 2.410 1.00 0.00 C ATOM 463 CD GLU A 35 -4.007 -9.971 2.068 1.00 0.00 C ATOM 464 OE1 GLU A 35 -4.283 -11.133 2.434 1.00 0.00 O ATOM 465 OE2 GLU A 35 -2.971 -9.680 1.435 1.00 0.00 O ATOM 0 H GLU A 35 -4.321 -8.994 6.203 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.260 -7.730 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.069 -9.667 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.196 -8.358 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.942 -9.066 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.616 -7.921 1.990 1.00 0.00 H new ATOM 472 N GLU A 36 -5.701 -5.999 5.387 1.00 0.00 N ATOM 473 CA GLU A 36 -6.326 -4.682 5.433 1.00 0.00 C ATOM 474 C GLU A 36 -5.366 -3.643 6.006 1.00 0.00 C ATOM 475 O GLU A 36 -5.262 -2.529 5.493 1.00 0.00 O ATOM 476 CB GLU A 36 -7.605 -4.729 6.272 1.00 0.00 C ATOM 477 CG GLU A 36 -8.659 -3.727 5.832 1.00 0.00 C ATOM 478 CD GLU A 36 -9.494 -4.230 4.671 1.00 0.00 C ATOM 479 OE1 GLU A 36 -8.956 -4.316 3.547 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.685 -4.538 4.885 1.00 0.00 O ATOM 0 H GLU A 36 -6.040 -6.652 6.093 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.580 -4.393 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.026 -5.733 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.352 -4.543 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.313 -3.500 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.172 -2.795 5.547 1.00 0.00 H new ATOM 487 N ALA A 37 -4.668 -4.017 7.073 1.00 0.00 N ATOM 488 CA ALA A 37 -3.716 -3.120 7.716 1.00 0.00 C ATOM 489 C ALA A 37 -2.622 -2.692 6.743 1.00 0.00 C ATOM 490 O ALA A 37 -2.115 -1.571 6.817 1.00 0.00 O ATOM 491 CB ALA A 37 -3.105 -3.786 8.939 1.00 0.00 C ATOM 0 H ALA A 37 -4.744 -4.935 7.510 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.254 -2.227 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.396 -3.104 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.893 -4.036 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.587 -4.696 8.637 1.00 0.00 H new ATOM 497 N LEU A 38 -2.262 -3.589 5.833 1.00 0.00 N ATOM 498 CA LEU A 38 -1.227 -3.305 4.845 1.00 0.00 C ATOM 499 C LEU A 38 -1.656 -2.172 3.918 1.00 0.00 C ATOM 500 O LEU A 38 -1.041 -1.106 3.901 1.00 0.00 O ATOM 501 CB LEU A 38 -0.917 -4.559 4.026 1.00 0.00 C ATOM 502 CG LEU A 38 0.057 -4.377 2.861 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.430 -3.972 3.373 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.147 -5.653 2.037 1.00 0.00 C ATOM 0 H LEU A 38 -2.672 -4.520 5.758 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.328 -2.995 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.511 -5.316 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.854 -4.952 3.632 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.318 -3.580 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.110 -3.847 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.352 -3.032 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.814 -4.746 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.844 -5.505 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.499 -6.469 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.838 -5.900 1.640 1.00 0.00 H new ATOM 516 N GLN A 39 -2.715 -2.410 3.151 1.00 0.00 N ATOM 517 CA GLN A 39 -3.227 -1.408 2.224 1.00 0.00 C ATOM 518 C GLN A 39 -3.352 -0.049 2.904 1.00 0.00 C ATOM 519 O GLN A 39 -2.924 0.971 2.362 1.00 0.00 O ATOM 520 CB GLN A 39 -4.585 -1.841 1.670 1.00 0.00 C ATOM 521 CG GLN A 39 -4.487 -2.832 0.521 1.00 0.00 C ATOM 522 CD GLN A 39 -4.095 -2.172 -0.786 1.00 0.00 C ATOM 523 OE1 GLN A 39 -4.949 -1.694 -1.533 1.00 0.00 O ATOM 524 NE2 GLN A 39 -2.798 -2.143 -1.070 1.00 0.00 N ATOM 0 H GLN A 39 -3.235 -3.288 3.153 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.519 -1.317 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.170 -2.287 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.128 -0.958 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.755 -3.600 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.446 -3.335 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.125 -2.551 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.475 -1.712 -1.936 1.00 0.00 H new ATOM 533 N LEU A 40 -3.941 -0.041 4.095 1.00 0.00 N ATOM 534 CA LEU A 40 -4.123 1.193 4.851 1.00 0.00 C ATOM 535 C LEU A 40 -2.781 1.859 5.138 1.00 0.00 C ATOM 536 O LEU A 40 -2.629 3.070 4.975 1.00 0.00 O ATOM 537 CB LEU A 40 -4.855 0.908 6.163 1.00 0.00 C ATOM 538 CG LEU A 40 -6.359 0.656 6.051 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.891 0.028 7.330 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.096 1.952 5.745 1.00 0.00 C ATOM 0 H LEU A 40 -4.301 -0.876 4.558 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.724 1.874 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.395 0.038 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.697 1.752 6.835 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.531 -0.039 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.963 -0.144 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.386 -0.921 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.706 0.699 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.165 1.753 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.916 2.670 6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.735 2.362 4.802 1.00 0.00 H new ATOM 552 N TYR A 41 -1.809 1.059 5.564 1.00 0.00 N ATOM 553 CA TYR A 41 -0.480 1.570 5.874 1.00 0.00 C ATOM 554 C TYR A 41 0.118 2.299 4.674 1.00 0.00 C ATOM 555 O TYR A 41 0.730 3.357 4.819 1.00 0.00 O ATOM 556 CB TYR A 41 0.442 0.427 6.301 1.00 0.00 C ATOM 557 CG TYR A 41 0.369 0.110 7.778 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.566 1.100 8.732 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.104 -1.181 8.219 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.501 0.815 10.082 1.00 0.00 C ATOM 561 CE2 TYR A 41 0.036 -1.475 9.567 1.00 0.00 C ATOM 562 CZ TYR A 41 0.235 -0.474 10.494 1.00 0.00 C ATOM 563 OH TYR A 41 0.169 -0.763 11.838 1.00 0.00 O ATOM 0 H TYR A 41 -1.917 0.054 5.702 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.575 2.279 6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.185 -0.467 5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.469 0.684 6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.774 2.111 8.413 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.051 -1.968 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.658 1.597 10.810 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.172 -2.483 9.893 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.028 -1.715 11.959 1.00 0.00 H new ATOM 573 N GLN A 42 -0.067 1.725 3.490 1.00 0.00 N ATOM 574 CA GLN A 42 0.453 2.319 2.264 1.00 0.00 C ATOM 575 C GLN A 42 -0.248 3.638 1.958 1.00 0.00 C ATOM 576 O GLN A 42 0.399 4.668 1.769 1.00 0.00 O ATOM 577 CB GLN A 42 0.282 1.352 1.091 1.00 0.00 C ATOM 578 CG GLN A 42 0.998 0.026 1.286 1.00 0.00 C ATOM 579 CD GLN A 42 1.340 -0.652 -0.026 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.377 -0.012 -1.077 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.591 -1.955 0.028 1.00 0.00 N ATOM 0 H GLN A 42 -0.573 0.850 3.353 1.00 0.00 H new ATOM 0 HA GLN A 42 1.515 2.518 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.781 1.163 0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.654 1.826 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.913 0.192 1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.370 -0.638 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.549 -2.446 0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.826 -2.465 -0.824 1.00 0.00 H new ATOM 590 N HIS A 43 -1.576 3.599 1.910 1.00 0.00 N ATOM 591 CA HIS A 43 -2.366 4.792 1.627 1.00 0.00 C ATOM 592 C HIS A 43 -1.955 5.945 2.537 1.00 0.00 C ATOM 593 O HIS A 43 -1.604 7.026 2.065 1.00 0.00 O ATOM 594 CB HIS A 43 -3.856 4.496 1.801 1.00 0.00 C ATOM 595 CG HIS A 43 -4.506 3.945 0.569 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.874 4.730 -0.503 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.851 2.678 0.242 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.420 3.970 -1.436 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.417 2.720 -1.009 1.00 0.00 N ATOM 0 H HIS A 43 -2.127 2.755 2.063 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.179 5.084 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.984 3.786 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.368 5.413 2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.708 1.798 0.851 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.803 4.313 -2.386 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.777 1.917 -1.524 1.00 0.00 H new ATOM 608 N ALA A 44 -2.001 5.706 3.843 1.00 0.00 N ATOM 609 CA ALA A 44 -1.632 6.724 4.819 1.00 0.00 C ATOM 610 C ALA A 44 -0.431 7.534 4.341 1.00 0.00 C ATOM 611 O ALA A 44 -0.471 8.764 4.312 1.00 0.00 O ATOM 612 CB ALA A 44 -1.334 6.081 6.166 1.00 0.00 C ATOM 0 H ALA A 44 -2.290 4.816 4.250 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.475 7.405 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.060 6.853 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.219 5.553 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.509 5.376 6.058 1.00 0.00 H new ATOM 618 N VAL A 45 0.636 6.836 3.965 1.00 0.00 N ATOM 619 CA VAL A 45 1.848 7.490 3.487 1.00 0.00 C ATOM 620 C VAL A 45 1.583 8.268 2.203 1.00 0.00 C ATOM 621 O VAL A 45 1.977 9.426 2.076 1.00 0.00 O ATOM 622 CB VAL A 45 2.974 6.470 3.234 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.245 7.177 2.787 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.227 5.636 4.481 1.00 0.00 C ATOM 0 H VAL A 45 0.685 5.817 3.982 1.00 0.00 H new ATOM 0 HA VAL A 45 2.164 8.181 4.268 1.00 0.00 H new ATOM 0 HB VAL A 45 2.660 5.799 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.029 6.440 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.051 7.725 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.566 7.873 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.026 4.921 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.520 6.290 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.317 5.099 4.751 1.00 0.00 H new ATOM 634 N GLN A 46 0.912 7.622 1.255 1.00 0.00 N ATOM 635 CA GLN A 46 0.594 8.254 -0.020 1.00 0.00 C ATOM 636 C GLN A 46 -0.004 9.640 0.193 1.00 0.00 C ATOM 637 O GLN A 46 0.431 10.616 -0.420 1.00 0.00 O ATOM 638 CB GLN A 46 -0.379 7.383 -0.817 1.00 0.00 C ATOM 639 CG GLN A 46 0.194 6.029 -1.205 1.00 0.00 C ATOM 640 CD GLN A 46 -0.812 5.157 -1.930 1.00 0.00 C ATOM 641 OE1 GLN A 46 -1.293 4.162 -1.387 1.00 0.00 O ATOM 642 NE2 GLN A 46 -1.135 5.525 -3.165 1.00 0.00 N ATOM 0 H GLN A 46 0.578 6.662 1.345 1.00 0.00 H new ATOM 0 HA GLN A 46 1.521 8.361 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.283 7.230 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.674 7.916 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.067 6.177 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.537 5.513 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.712 6.357 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.806 4.975 -3.702 1.00 0.00 H new ATOM 651 N TYR A 47 -1.002 9.721 1.065 1.00 0.00 N ATOM 652 CA TYR A 47 -1.662 10.988 1.357 1.00 0.00 C ATOM 653 C TYR A 47 -0.711 11.945 2.070 1.00 0.00 C ATOM 654 O TYR A 47 -0.645 13.131 1.743 1.00 0.00 O ATOM 655 CB TYR A 47 -2.905 10.753 2.217 1.00 0.00 C ATOM 656 CG TYR A 47 -4.063 10.149 1.454 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.955 10.952 0.754 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.265 8.774 1.434 1.00 0.00 C ATOM 659 CE1 TYR A 47 -6.014 10.404 0.057 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.320 8.218 0.739 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.192 9.037 0.052 1.00 0.00 C ATOM 662 OH TYR A 47 -7.246 8.486 -0.641 1.00 0.00 O ATOM 0 H TYR A 47 -1.372 8.924 1.583 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.962 11.439 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.644 10.095 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.222 11.702 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.818 12.023 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.585 8.130 1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.699 11.043 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.462 7.147 0.733 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.228 7.511 -0.544 1.00 0.00 H new ATOM 672 N PHE A 48 0.025 11.422 3.044 1.00 0.00 N ATOM 673 CA PHE A 48 0.973 12.229 3.804 1.00 0.00 C ATOM 674 C PHE A 48 1.914 12.985 2.871 1.00 0.00 C ATOM 675 O PHE A 48 2.129 14.188 3.029 1.00 0.00 O ATOM 676 CB PHE A 48 1.782 11.343 4.754 1.00 0.00 C ATOM 677 CG PHE A 48 1.077 11.051 6.048 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.461 12.067 6.761 1.00 0.00 C ATOM 679 CD2 PHE A 48 1.032 9.761 6.551 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.189 11.802 7.951 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.383 9.490 7.741 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.227 10.512 8.443 1.00 0.00 C ATOM 0 H PHE A 48 -0.016 10.443 3.326 1.00 0.00 H new ATOM 0 HA PHE A 48 0.408 12.955 4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.011 10.402 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.733 11.829 4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.489 13.078 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.509 8.959 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.667 12.603 8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.353 8.480 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.732 10.303 9.374 1.00 0.00 H new ATOM 692 N LEU A 49 2.472 12.273 1.899 1.00 0.00 N ATOM 693 CA LEU A 49 3.391 12.876 0.939 1.00 0.00 C ATOM 694 C LEU A 49 2.697 13.971 0.135 1.00 0.00 C ATOM 695 O LEU A 49 3.083 15.138 0.194 1.00 0.00 O ATOM 696 CB LEU A 49 3.947 11.808 -0.005 1.00 0.00 C ATOM 697 CG LEU A 49 4.971 10.846 0.599 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.216 9.672 -0.336 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.273 11.573 0.899 1.00 0.00 C ATOM 0 H LEU A 49 2.305 11.277 1.754 1.00 0.00 H new ATOM 0 HA LEU A 49 4.214 13.325 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.112 11.223 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.407 12.309 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 49 4.570 10.460 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.947 8.998 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.281 9.136 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.595 10.039 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.990 10.873 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.679 11.988 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.084 12.379 1.608 1.00 0.00 H new ATOM 711 N HIS A 50 1.669 13.585 -0.615 1.00 0.00 N ATOM 712 CA HIS A 50 0.919 14.535 -1.430 1.00 0.00 C ATOM 713 C HIS A 50 0.778 15.874 -0.712 1.00 0.00 C ATOM 714 O HIS A 50 0.677 16.923 -1.348 1.00 0.00 O ATOM 715 CB HIS A 50 -0.463 13.973 -1.762 1.00 0.00 C ATOM 716 CG HIS A 50 -1.024 14.487 -3.052 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.361 14.382 -4.257 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.195 15.111 -3.323 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.098 14.921 -5.211 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.216 15.370 -4.671 1.00 0.00 N ATOM 0 H HIS A 50 1.337 12.623 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 50 1.470 14.696 -2.357 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.402 12.886 -1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.150 14.219 -0.953 1.00 0.00 H new ATOM 0 HD1 HIS A 50 0.556 13.955 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.968 15.359 -2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.831 14.984 -6.256 1.00 0.00 H new ATOM 729 N VAL A 51 0.770 15.830 0.617 1.00 0.00 N ATOM 730 CA VAL A 51 0.642 17.039 1.421 1.00 0.00 C ATOM 731 C VAL A 51 1.957 17.808 1.471 1.00 0.00 C ATOM 732 O VAL A 51 1.990 19.019 1.251 1.00 0.00 O ATOM 733 CB VAL A 51 0.195 16.712 2.858 1.00 0.00 C ATOM 734 CG1 VAL A 51 0.118 17.980 3.695 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.142 15.988 2.849 1.00 0.00 C ATOM 0 H VAL A 51 0.851 14.970 1.159 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.118 17.658 0.944 1.00 0.00 H new ATOM 0 HB VAL A 51 0.936 16.052 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.199 17.729 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.099 18.453 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.601 18.667 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.442 15.765 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.895 16.621 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.049 15.058 2.288 1.00 0.00 H new ATOM 745 N VAL A 52 3.041 17.096 1.763 1.00 0.00 N ATOM 746 CA VAL A 52 4.361 17.711 1.841 1.00 0.00 C ATOM 747 C VAL A 52 4.919 17.993 0.451 1.00 0.00 C ATOM 748 O VAL A 52 5.967 18.623 0.306 1.00 0.00 O ATOM 749 CB VAL A 52 5.353 16.816 2.608 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.747 17.424 2.587 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.878 16.600 4.037 1.00 0.00 C ATOM 0 H VAL A 52 3.031 16.093 1.949 1.00 0.00 H new ATOM 0 HA VAL A 52 4.240 18.651 2.379 1.00 0.00 H new ATOM 0 HB VAL A 52 5.399 15.846 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.434 16.778 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.085 17.523 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.722 18.407 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.590 15.966 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.803 17.562 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.901 16.118 4.027 1.00 0.00 H new ATOM 761 N LYS A 53 4.212 17.522 -0.571 1.00 0.00 N ATOM 762 CA LYS A 53 4.635 17.724 -1.952 1.00 0.00 C ATOM 763 C LYS A 53 4.480 19.186 -2.360 1.00 0.00 C ATOM 764 O LYS A 53 5.468 19.897 -2.543 1.00 0.00 O ATOM 765 CB LYS A 53 3.820 16.832 -2.892 1.00 0.00 C ATOM 766 CG LYS A 53 4.071 17.110 -4.364 1.00 0.00 C ATOM 767 CD LYS A 53 3.084 16.367 -5.248 1.00 0.00 C ATOM 768 CE LYS A 53 3.088 16.912 -6.668 1.00 0.00 C ATOM 769 NZ LYS A 53 2.827 18.377 -6.701 1.00 0.00 N ATOM 0 H LYS A 53 3.343 16.998 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 53 5.688 17.454 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.054 15.788 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.760 16.969 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.994 18.181 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.087 16.814 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.335 15.306 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.082 16.452 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.051 16.704 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.331 16.395 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.362 18.627 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.209 18.637 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.727 18.892 -6.623 1.00 0.00 H new ATOM 783 N TYR A 54 3.235 19.627 -2.499 1.00 0.00 N ATOM 784 CA TYR A 54 2.951 21.004 -2.887 1.00 0.00 C ATOM 785 C TYR A 54 2.010 21.669 -1.886 1.00 0.00 C ATOM 786 O TYR A 54 1.827 22.885 -1.905 1.00 0.00 O ATOM 787 CB TYR A 54 2.338 21.046 -4.287 1.00 0.00 C ATOM 788 CG TYR A 54 0.993 20.361 -4.380 1.00 0.00 C ATOM 789 CD1 TYR A 54 0.876 18.989 -4.198 1.00 0.00 C ATOM 790 CD2 TYR A 54 -0.161 21.087 -4.648 1.00 0.00 C ATOM 791 CE1 TYR A 54 -0.350 18.359 -4.282 1.00 0.00 C ATOM 792 CE2 TYR A 54 -1.392 20.465 -4.732 1.00 0.00 C ATOM 793 CZ TYR A 54 -1.481 19.101 -4.550 1.00 0.00 C ATOM 794 OH TYR A 54 -2.705 18.477 -4.633 1.00 0.00 O ATOM 0 H TYR A 54 2.406 19.051 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 54 3.892 21.554 -2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.229 22.086 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.025 20.575 -4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.759 18.405 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.095 22.155 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.423 17.291 -4.139 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.280 21.044 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.576 17.506 -4.663 1.00 0.00 H new ATOM 804 N GLU A 55 1.417 20.859 -1.014 1.00 0.00 N ATOM 805 CA GLU A 55 0.495 21.368 -0.006 1.00 0.00 C ATOM 806 C GLU A 55 1.213 21.602 1.320 1.00 0.00 C ATOM 807 O GLU A 55 0.583 21.670 2.375 1.00 0.00 O ATOM 808 CB GLU A 55 -0.666 20.391 0.195 1.00 0.00 C ATOM 809 CG GLU A 55 -1.857 20.667 -0.708 1.00 0.00 C ATOM 810 CD GLU A 55 -2.628 21.905 -0.294 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.213 23.019 -0.675 1.00 0.00 O ATOM 812 OE2 GLU A 55 -3.649 21.759 0.411 1.00 0.00 O ATOM 0 H GLU A 55 1.559 19.849 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 55 0.101 22.321 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.311 19.376 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.991 20.435 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.510 20.786 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.525 19.806 -0.695 1.00 0.00 H new ATOM 819 N ALA A 56 2.535 21.723 1.257 1.00 0.00 N ATOM 820 CA ALA A 56 3.339 21.950 2.451 1.00 0.00 C ATOM 821 C ALA A 56 2.625 22.882 3.425 1.00 0.00 C ATOM 822 O ALA A 56 1.756 23.658 3.029 1.00 0.00 O ATOM 823 CB ALA A 56 4.698 22.520 2.072 1.00 0.00 C ATOM 0 H ALA A 56 3.072 21.668 0.391 1.00 0.00 H new ATOM 0 HA ALA A 56 3.485 20.991 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.288 22.685 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.218 21.818 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.562 23.467 1.549 1.00 0.00 H new ATOM 829 N GLN A 57 2.998 22.799 4.698 1.00 0.00 N ATOM 830 CA GLN A 57 2.391 23.634 5.727 1.00 0.00 C ATOM 831 C GLN A 57 3.460 24.322 6.570 1.00 0.00 C ATOM 832 O GLN A 57 3.335 25.498 6.910 1.00 0.00 O ATOM 833 CB GLN A 57 1.480 22.794 6.624 1.00 0.00 C ATOM 834 CG GLN A 57 2.229 21.779 7.472 1.00 0.00 C ATOM 835 CD GLN A 57 1.303 20.788 8.149 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.012 20.906 9.339 1.00 0.00 O ATOM 837 NE2 GLN A 57 0.835 19.802 7.392 1.00 0.00 N ATOM 0 H GLN A 57 3.717 22.162 5.041 1.00 0.00 H new ATOM 0 HA GLN A 57 1.795 24.401 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.917 23.458 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.754 22.270 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.937 21.238 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.811 22.303 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.102 19.742 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.208 19.104 7.793 1.00 0.00 H new ATOM 846 N GLY A 58 4.511 23.580 6.904 1.00 0.00 N ATOM 847 CA GLY A 58 5.587 24.136 7.705 1.00 0.00 C ATOM 848 C GLY A 58 6.758 23.184 7.843 1.00 0.00 C ATOM 849 O GLY A 58 6.599 21.970 7.712 1.00 0.00 O ATOM 0 H GLY A 58 4.637 22.604 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.930 25.066 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.207 24.386 8.696 1.00 0.00 H new ATOM 853 N ASP A 59 7.938 23.734 8.107 1.00 0.00 N ATOM 854 CA ASP A 59 9.141 22.926 8.262 1.00 0.00 C ATOM 855 C ASP A 59 8.959 21.886 9.364 1.00 0.00 C ATOM 856 O ASP A 59 9.207 20.698 9.158 1.00 0.00 O ATOM 857 CB ASP A 59 10.343 23.817 8.579 1.00 0.00 C ATOM 858 CG ASP A 59 11.652 23.052 8.563 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.923 22.319 9.537 1.00 0.00 O ATOM 860 OD2 ASP A 59 12.405 23.186 7.576 1.00 0.00 O ATOM 0 H ASP A 59 8.087 24.737 8.218 1.00 0.00 H new ATOM 0 HA ASP A 59 9.322 22.406 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.391 24.629 7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.205 24.274 9.559 1.00 0.00 H new ATOM 865 N LYS A 60 8.526 22.342 10.534 1.00 0.00 N ATOM 866 CA LYS A 60 8.310 21.453 11.670 1.00 0.00 C ATOM 867 C LYS A 60 7.240 20.413 11.351 1.00 0.00 C ATOM 868 O LYS A 60 7.345 19.256 11.757 1.00 0.00 O ATOM 869 CB LYS A 60 7.901 22.259 12.904 1.00 0.00 C ATOM 870 CG LYS A 60 9.072 22.901 13.627 1.00 0.00 C ATOM 871 CD LYS A 60 9.915 21.865 14.353 1.00 0.00 C ATOM 872 CE LYS A 60 9.416 21.634 15.771 1.00 0.00 C ATOM 873 NZ LYS A 60 9.829 22.731 16.690 1.00 0.00 N ATOM 0 H LYS A 60 8.317 23.323 10.721 1.00 0.00 H new ATOM 0 HA LYS A 60 9.246 20.934 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.200 23.037 12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.372 21.604 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.693 23.439 12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.701 23.635 14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.893 20.925 13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.954 22.194 14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.329 21.555 15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.802 20.685 16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.558 22.488 17.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.860 22.857 16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.357 23.615 16.410 1.00 0.00 H new ATOM 887 N ALA A 61 6.213 20.833 10.620 1.00 0.00 N ATOM 888 CA ALA A 61 5.126 19.937 10.243 1.00 0.00 C ATOM 889 C ALA A 61 5.645 18.755 9.432 1.00 0.00 C ATOM 890 O ALA A 61 5.592 17.609 9.881 1.00 0.00 O ATOM 891 CB ALA A 61 4.066 20.694 9.457 1.00 0.00 C ATOM 0 H ALA A 61 6.111 21.788 10.277 1.00 0.00 H new ATOM 0 HA ALA A 61 4.676 19.548 11.156 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.261 20.013 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.665 21.501 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.512 21.112 8.554 1.00 0.00 H new ATOM 897 N LYS A 62 6.147 19.039 8.235 1.00 0.00 N ATOM 898 CA LYS A 62 6.677 18.000 7.360 1.00 0.00 C ATOM 899 C LYS A 62 7.450 16.957 8.161 1.00 0.00 C ATOM 900 O LYS A 62 7.050 15.795 8.231 1.00 0.00 O ATOM 901 CB LYS A 62 7.585 18.616 6.294 1.00 0.00 C ATOM 902 CG LYS A 62 6.848 19.499 5.303 1.00 0.00 C ATOM 903 CD LYS A 62 7.736 20.616 4.782 1.00 0.00 C ATOM 904 CE LYS A 62 6.914 21.780 4.248 1.00 0.00 C ATOM 905 NZ LYS A 62 7.744 23.000 4.048 1.00 0.00 N ATOM 0 H LYS A 62 6.198 19.981 7.848 1.00 0.00 H new ATOM 0 HA LYS A 62 5.836 17.508 6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.360 19.204 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.088 17.816 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.495 18.894 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.967 19.927 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.388 20.967 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.380 20.231 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.453 21.495 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.104 22.002 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.147 23.770 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.164 23.287 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.502 22.796 3.365 1.00 0.00 H new ATOM 919 N GLN A 63 8.556 17.380 8.763 1.00 0.00 N ATOM 920 CA GLN A 63 9.384 16.482 9.560 1.00 0.00 C ATOM 921 C GLN A 63 8.523 15.471 10.310 1.00 0.00 C ATOM 922 O GLN A 63 8.758 14.265 10.236 1.00 0.00 O ATOM 923 CB GLN A 63 10.234 17.280 10.549 1.00 0.00 C ATOM 924 CG GLN A 63 11.523 17.818 9.949 1.00 0.00 C ATOM 925 CD GLN A 63 12.508 16.719 9.602 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.666 15.752 10.349 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.177 16.860 8.464 1.00 0.00 N ATOM 0 H GLN A 63 8.900 18.339 8.714 1.00 0.00 H new ATOM 0 HA GLN A 63 10.043 15.939 8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.645 18.114 10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.477 16.645 11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.290 18.389 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.987 18.508 10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.015 17.677 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.853 16.151 8.179 1.00 0.00 H new ATOM 936 N SER A 64 7.526 15.971 11.033 1.00 0.00 N ATOM 937 CA SER A 64 6.633 15.112 11.801 1.00 0.00 C ATOM 938 C SER A 64 5.986 14.061 10.904 1.00 0.00 C ATOM 939 O SER A 64 5.997 12.870 11.218 1.00 0.00 O ATOM 940 CB SER A 64 5.551 15.948 12.487 1.00 0.00 C ATOM 941 OG SER A 64 5.068 15.301 13.652 1.00 0.00 O ATOM 0 H SER A 64 7.317 16.967 11.103 1.00 0.00 H new ATOM 0 HA SER A 64 7.225 14.602 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.955 16.925 12.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.727 16.120 11.795 1.00 0.00 H new ATOM 0 HG SER A 64 4.379 15.856 14.073 1.00 0.00 H new ATOM 947 N ILE A 65 5.424 14.510 9.787 1.00 0.00 N ATOM 948 CA ILE A 65 4.773 13.610 8.844 1.00 0.00 C ATOM 949 C ILE A 65 5.764 12.600 8.276 1.00 0.00 C ATOM 950 O ILE A 65 5.537 11.391 8.336 1.00 0.00 O ATOM 951 CB ILE A 65 4.124 14.385 7.682 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.083 15.370 8.216 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.489 13.420 6.692 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.762 16.491 7.253 1.00 0.00 C ATOM 0 H ILE A 65 5.407 15.492 9.513 1.00 0.00 H new ATOM 0 HA ILE A 65 3.996 13.082 9.396 1.00 0.00 H new ATOM 0 HB ILE A 65 4.899 14.950 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.167 14.827 8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.445 15.798 9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.034 13.982 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.253 12.754 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.724 12.831 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.017 17.151 7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.668 17.058 7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.369 16.073 6.326 1.00 0.00 H new ATOM 966 N ARG A 66 6.864 13.103 7.726 1.00 0.00 N ATOM 967 CA ARG A 66 7.891 12.245 7.147 1.00 0.00 C ATOM 968 C ARG A 66 8.236 11.097 8.092 1.00 0.00 C ATOM 969 O ARG A 66 8.147 9.927 7.721 1.00 0.00 O ATOM 970 CB ARG A 66 9.148 13.057 6.834 1.00 0.00 C ATOM 971 CG ARG A 66 9.079 13.801 5.510 1.00 0.00 C ATOM 972 CD ARG A 66 10.182 14.842 5.398 1.00 0.00 C ATOM 973 NE ARG A 66 10.143 15.544 4.118 1.00 0.00 N ATOM 974 CZ ARG A 66 10.924 16.577 3.822 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.800 17.026 4.711 1.00 0.00 N ATOM 976 NH2 ARG A 66 10.830 17.163 2.636 1.00 0.00 N ATOM 0 H ARG A 66 7.067 14.101 7.669 1.00 0.00 H new ATOM 0 HA ARG A 66 7.498 11.826 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.315 13.775 7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.008 12.388 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.163 13.091 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.108 14.287 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.084 15.563 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.151 14.358 5.517 1.00 0.00 H new ATOM 0 HE ARG A 66 9.480 15.224 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.875 16.578 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.399 17.819 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.157 16.821 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.430 17.956 2.410 1.00 0.00 H new ATOM 990 N ALA A 67 8.630 11.441 9.313 1.00 0.00 N ATOM 991 CA ALA A 67 8.987 10.441 10.311 1.00 0.00 C ATOM 992 C ALA A 67 7.970 9.305 10.338 1.00 0.00 C ATOM 993 O ALA A 67 8.335 8.132 10.419 1.00 0.00 O ATOM 994 CB ALA A 67 9.099 11.083 11.686 1.00 0.00 C ATOM 0 H ALA A 67 8.710 12.405 9.635 1.00 0.00 H new ATOM 0 HA ALA A 67 9.955 10.021 10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.366 10.324 12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.868 11.855 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.143 11.531 11.958 1.00 0.00 H new ATOM 1000 N LYS A 68 6.691 9.660 10.269 1.00 0.00 N ATOM 1001 CA LYS A 68 5.620 8.670 10.285 1.00 0.00 C ATOM 1002 C LYS A 68 5.648 7.819 9.020 1.00 0.00 C ATOM 1003 O LYS A 68 5.552 6.592 9.083 1.00 0.00 O ATOM 1004 CB LYS A 68 4.261 9.362 10.417 1.00 0.00 C ATOM 1005 CG LYS A 68 3.822 9.569 11.856 1.00 0.00 C ATOM 1006 CD LYS A 68 4.709 10.575 12.570 1.00 0.00 C ATOM 1007 CE LYS A 68 4.790 10.287 14.062 1.00 0.00 C ATOM 1008 NZ LYS A 68 3.575 10.757 14.783 1.00 0.00 N ATOM 0 H LYS A 68 6.371 10.626 10.201 1.00 0.00 H new ATOM 0 HA LYS A 68 5.774 8.017 11.144 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.305 10.329 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.508 8.768 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.789 9.915 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.850 8.617 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.710 10.550 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.319 11.581 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.914 9.216 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.671 10.774 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.668 10.543 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.470 11.784 14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.737 10.273 14.403 1.00 0.00 H new ATOM 1022 N CYS A 69 5.782 8.475 7.873 1.00 0.00 N ATOM 1023 CA CYS A 69 5.823 7.777 6.592 1.00 0.00 C ATOM 1024 C CYS A 69 6.799 6.606 6.643 1.00 0.00 C ATOM 1025 O CYS A 69 6.492 5.507 6.181 1.00 0.00 O ATOM 1026 CB CYS A 69 6.223 8.742 5.475 1.00 0.00 C ATOM 1027 SG CYS A 69 4.860 9.753 4.850 1.00 0.00 S ATOM 0 H CYS A 69 5.864 9.489 7.803 1.00 0.00 H new ATOM 0 HA CYS A 69 4.826 7.387 6.386 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.010 9.400 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.645 8.170 4.649 1.00 0.00 H new ATOM 0 HG CYS A 69 5.297 10.538 3.911 1.00 0.00 H new ATOM 1033 N THR A 70 7.979 6.849 7.206 1.00 0.00 N ATOM 1034 CA THR A 70 9.001 5.817 7.314 1.00 0.00 C ATOM 1035 C THR A 70 8.579 4.726 8.292 1.00 0.00 C ATOM 1036 O THR A 70 8.748 3.538 8.020 1.00 0.00 O ATOM 1037 CB THR A 70 10.349 6.406 7.771 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.826 7.345 6.801 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.381 5.306 7.970 1.00 0.00 C ATOM 0 H THR A 70 8.250 7.753 7.594 1.00 0.00 H new ATOM 0 HA THR A 70 9.120 5.385 6.320 1.00 0.00 H new ATOM 0 HB THR A 70 10.195 6.914 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.682 7.717 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.324 5.746 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.028 4.609 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.531 4.774 7.031 1.00 0.00 H new ATOM 1047 N GLU A 71 8.029 5.138 9.430 1.00 0.00 N ATOM 1048 CA GLU A 71 7.584 4.193 10.448 1.00 0.00 C ATOM 1049 C GLU A 71 6.522 3.251 9.888 1.00 0.00 C ATOM 1050 O GLU A 71 6.693 2.031 9.897 1.00 0.00 O ATOM 1051 CB GLU A 71 7.028 4.942 11.661 1.00 0.00 C ATOM 1052 CG GLU A 71 6.529 4.025 12.766 1.00 0.00 C ATOM 1053 CD GLU A 71 7.606 3.088 13.276 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.466 3.543 14.060 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.589 1.900 12.893 1.00 0.00 O ATOM 0 H GLU A 71 7.881 6.118 9.670 1.00 0.00 H new ATOM 0 HA GLU A 71 8.444 3.600 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.805 5.593 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.210 5.585 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.156 4.629 13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.688 3.439 12.395 1.00 0.00 H new ATOM 1062 N TYR A 72 5.427 3.824 9.403 1.00 0.00 N ATOM 1063 CA TYR A 72 4.336 3.036 8.842 1.00 0.00 C ATOM 1064 C TYR A 72 4.820 2.199 7.662 1.00 0.00 C ATOM 1065 O TYR A 72 4.391 1.059 7.477 1.00 0.00 O ATOM 1066 CB TYR A 72 3.194 3.952 8.397 1.00 0.00 C ATOM 1067 CG TYR A 72 2.637 4.810 9.511 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.376 4.271 10.765 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.372 6.158 9.309 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.867 5.051 11.785 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.864 6.946 10.324 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.613 6.388 11.560 1.00 0.00 C ATOM 1073 OH TYR A 72 1.106 7.169 12.573 1.00 0.00 O ATOM 0 H TYR A 72 5.271 4.832 9.387 1.00 0.00 H new ATOM 0 HA TYR A 72 3.972 2.362 9.618 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.550 4.599 7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.391 3.343 7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.574 3.225 10.945 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.566 6.598 8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.669 4.616 12.754 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.665 7.993 10.150 1.00 0.00 H new ATOM 0 HH TYR A 72 0.986 8.086 12.250 1.00 0.00 H new ATOM 1083 N LEU A 73 5.717 2.771 6.867 1.00 0.00 N ATOM 1084 CA LEU A 73 6.262 2.078 5.704 1.00 0.00 C ATOM 1085 C LEU A 73 6.962 0.788 6.118 1.00 0.00 C ATOM 1086 O LEU A 73 6.688 -0.281 5.572 1.00 0.00 O ATOM 1087 CB LEU A 73 7.240 2.986 4.957 1.00 0.00 C ATOM 1088 CG LEU A 73 6.622 3.953 3.947 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.618 5.037 3.567 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.150 3.202 2.710 1.00 0.00 C ATOM 0 H LEU A 73 6.083 3.713 7.006 1.00 0.00 H new ATOM 0 HA LEU A 73 5.434 1.824 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.798 3.567 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.961 2.357 4.434 1.00 0.00 H new ATOM 0 HG LEU A 73 5.758 4.429 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.160 5.716 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.907 5.594 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.502 4.579 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.713 3.906 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.997 2.698 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.401 2.463 2.996 1.00 0.00 H new ATOM 1102 N ASP A 74 7.864 0.895 7.086 1.00 0.00 N ATOM 1103 CA ASP A 74 8.602 -0.264 7.576 1.00 0.00 C ATOM 1104 C ASP A 74 7.650 -1.314 8.140 1.00 0.00 C ATOM 1105 O ASP A 74 7.875 -2.515 7.989 1.00 0.00 O ATOM 1106 CB ASP A 74 9.607 0.160 8.648 1.00 0.00 C ATOM 1107 CG ASP A 74 10.788 -0.787 8.741 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.562 -1.996 8.953 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.937 -0.318 8.602 1.00 0.00 O ATOM 0 H ASP A 74 8.103 1.773 7.548 1.00 0.00 H new ATOM 0 HA ASP A 74 9.142 -0.702 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.967 1.165 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.105 0.206 9.614 1.00 0.00 H new ATOM 1114 N ARG A 75 6.588 -0.854 8.793 1.00 0.00 N ATOM 1115 CA ARG A 75 5.604 -1.753 9.382 1.00 0.00 C ATOM 1116 C ARG A 75 4.936 -2.607 8.308 1.00 0.00 C ATOM 1117 O ARG A 75 4.856 -3.829 8.433 1.00 0.00 O ATOM 1118 CB ARG A 75 4.545 -0.956 10.145 1.00 0.00 C ATOM 1119 CG ARG A 75 3.408 -1.810 10.682 1.00 0.00 C ATOM 1120 CD ARG A 75 3.890 -2.764 11.763 1.00 0.00 C ATOM 1121 NE ARG A 75 2.794 -3.237 12.605 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.297 -2.542 13.622 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.795 -1.350 13.922 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.299 -3.039 14.342 1.00 0.00 N ATOM 0 H ARG A 75 6.387 0.137 8.927 1.00 0.00 H new ATOM 0 HA ARG A 75 6.123 -2.413 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.022 -0.437 10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.134 -0.191 9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.627 -1.166 11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.962 -2.379 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.385 -3.617 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.633 -2.263 12.383 1.00 0.00 H new ATOM 0 HE ARG A 75 2.388 -4.150 12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.562 -0.964 13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.411 -0.819 14.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.913 -3.955 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.918 -2.505 15.123 1.00 0.00 H new ATOM 1138 N ALA A 76 4.458 -1.955 7.253 1.00 0.00 N ATOM 1139 CA ALA A 76 3.799 -2.655 6.157 1.00 0.00 C ATOM 1140 C ALA A 76 4.713 -3.716 5.554 1.00 0.00 C ATOM 1141 O ALA A 76 4.294 -4.849 5.323 1.00 0.00 O ATOM 1142 CB ALA A 76 3.359 -1.665 5.089 1.00 0.00 C ATOM 0 H ALA A 76 4.515 -0.944 7.134 1.00 0.00 H new ATOM 0 HA ALA A 76 2.918 -3.158 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.868 -2.201 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.663 -0.947 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.230 -1.137 4.701 1.00 0.00 H new ATOM 1148 N GLU A 77 5.963 -3.339 5.302 1.00 0.00 N ATOM 1149 CA GLU A 77 6.935 -4.259 4.724 1.00 0.00 C ATOM 1150 C GLU A 77 6.832 -5.637 5.371 1.00 0.00 C ATOM 1151 O GLU A 77 6.926 -6.662 4.695 1.00 0.00 O ATOM 1152 CB GLU A 77 8.353 -3.710 4.893 1.00 0.00 C ATOM 1153 CG GLU A 77 8.633 -2.478 4.048 1.00 0.00 C ATOM 1154 CD GLU A 77 10.029 -1.928 4.264 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.589 -2.145 5.360 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.562 -1.279 3.340 1.00 0.00 O ATOM 0 H GLU A 77 6.326 -2.404 5.489 1.00 0.00 H new ATOM 0 HA GLU A 77 6.715 -4.358 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.516 -3.465 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.069 -4.489 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.504 -2.727 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.901 -1.705 4.285 1.00 0.00 H new ATOM 1163 N LYS A 78 6.638 -5.654 6.686 1.00 0.00 N ATOM 1164 CA LYS A 78 6.520 -6.904 7.426 1.00 0.00 C ATOM 1165 C LYS A 78 5.233 -7.636 7.059 1.00 0.00 C ATOM 1166 O LYS A 78 5.263 -8.793 6.638 1.00 0.00 O ATOM 1167 CB LYS A 78 6.554 -6.634 8.932 1.00 0.00 C ATOM 1168 CG LYS A 78 7.958 -6.487 9.493 1.00 0.00 C ATOM 1169 CD LYS A 78 8.651 -7.833 9.620 1.00 0.00 C ATOM 1170 CE LYS A 78 8.049 -8.667 10.740 1.00 0.00 C ATOM 1171 NZ LYS A 78 6.912 -9.501 10.260 1.00 0.00 N ATOM 0 H LYS A 78 6.559 -4.815 7.261 1.00 0.00 H new ATOM 0 HA LYS A 78 7.366 -7.537 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.991 -5.725 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.048 -7.449 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.543 -5.835 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.912 -6.007 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.570 -8.375 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.713 -7.680 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.818 -9.312 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.705 -8.009 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.042 -9.221 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.787 -9.362 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.112 -10.504 10.451 1.00 0.00 H new ATOM 1185 N LEU A 79 4.105 -6.954 7.218 1.00 0.00 N ATOM 1186 CA LEU A 79 2.806 -7.539 6.902 1.00 0.00 C ATOM 1187 C LEU A 79 2.855 -8.285 5.572 1.00 0.00 C ATOM 1188 O LEU A 79 2.196 -9.311 5.399 1.00 0.00 O ATOM 1189 CB LEU A 79 1.733 -6.449 6.849 1.00 0.00 C ATOM 1190 CG LEU A 79 1.468 -5.705 8.158 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.338 -4.703 7.982 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.143 -6.688 9.273 1.00 0.00 C ATOM 0 H LEU A 79 4.063 -5.995 7.564 1.00 0.00 H new ATOM 0 HA LEU A 79 2.554 -8.250 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.021 -5.720 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.799 -6.902 6.516 1.00 0.00 H new ATOM 0 HG LEU A 79 2.370 -5.159 8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.163 -4.183 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.609 -3.980 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.570 -5.227 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.957 -6.141 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.255 -7.261 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.984 -7.367 9.416 1.00 0.00 H new ATOM 1204 N LYS A 80 3.642 -7.765 4.636 1.00 0.00 N ATOM 1205 CA LYS A 80 3.780 -8.383 3.323 1.00 0.00 C ATOM 1206 C LYS A 80 4.383 -9.780 3.440 1.00 0.00 C ATOM 1207 O LYS A 80 3.739 -10.773 3.102 1.00 0.00 O ATOM 1208 CB LYS A 80 4.655 -7.514 2.417 1.00 0.00 C ATOM 1209 CG LYS A 80 4.096 -6.120 2.189 1.00 0.00 C ATOM 1210 CD LYS A 80 5.113 -5.215 1.514 1.00 0.00 C ATOM 1211 CE LYS A 80 4.860 -3.751 1.840 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.781 -2.849 1.095 1.00 0.00 N ATOM 0 H LYS A 80 4.194 -6.917 4.763 1.00 0.00 H new ATOM 0 HA LYS A 80 2.786 -8.470 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.649 -7.431 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.773 -8.011 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.199 -6.183 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.798 -5.686 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.117 -5.492 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.071 -5.361 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.828 -3.498 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.983 -3.591 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.576 -1.860 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.765 -3.073 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.646 -2.983 0.072 1.00 0.00 H new ATOM 1226 N GLU A 81 5.620 -9.847 3.921 1.00 0.00 N ATOM 1227 CA GLU A 81 6.308 -11.123 4.082 1.00 0.00 C ATOM 1228 C GLU A 81 5.420 -12.132 4.805 1.00 0.00 C ATOM 1229 O GLU A 81 5.412 -13.318 4.474 1.00 0.00 O ATOM 1230 CB GLU A 81 7.614 -10.930 4.856 1.00 0.00 C ATOM 1231 CG GLU A 81 8.607 -10.017 4.156 1.00 0.00 C ATOM 1232 CD GLU A 81 9.433 -10.745 3.114 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.389 -11.449 3.500 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.123 -10.609 1.911 1.00 0.00 O ATOM 0 H GLU A 81 6.166 -9.034 4.206 1.00 0.00 H new ATOM 0 HA GLU A 81 6.537 -11.511 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.386 -10.519 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.079 -11.903 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.069 -9.197 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.272 -9.574 4.897 1.00 0.00 H new ATOM 1241 N TYR A 82 4.674 -11.653 5.795 1.00 0.00 N ATOM 1242 CA TYR A 82 3.785 -12.512 6.567 1.00 0.00 C ATOM 1243 C TYR A 82 2.634 -13.020 5.705 1.00 0.00 C ATOM 1244 O TYR A 82 2.265 -14.194 5.769 1.00 0.00 O ATOM 1245 CB TYR A 82 3.235 -11.756 7.777 1.00 0.00 C ATOM 1246 CG TYR A 82 1.880 -12.246 8.233 1.00 0.00 C ATOM 1247 CD1 TYR A 82 0.713 -11.769 7.649 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.766 -13.189 9.248 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.527 -12.214 8.063 1.00 0.00 C ATOM 1250 CE2 TYR A 82 0.529 -13.641 9.668 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.614 -13.150 9.072 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.848 -13.597 9.487 1.00 0.00 O ATOM 0 H TYR A 82 4.668 -10.674 6.081 1.00 0.00 H new ATOM 0 HA TYR A 82 4.361 -13.370 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.941 -11.846 8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.165 -10.696 7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 82 0.777 -11.037 6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.659 -13.575 9.716 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.424 -11.831 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.458 -14.374 10.458 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.733 -14.255 10.204 1.00 0.00 H new ATOM 1262 N LEU A 83 2.070 -12.128 4.898 1.00 0.00 N ATOM 1263 CA LEU A 83 0.960 -12.485 4.020 1.00 0.00 C ATOM 1264 C LEU A 83 1.388 -13.534 2.999 1.00 0.00 C ATOM 1265 O LEU A 83 0.727 -14.559 2.832 1.00 0.00 O ATOM 1266 CB LEU A 83 0.434 -11.242 3.301 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.390 -10.273 4.150 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.613 -8.966 3.404 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.721 -10.902 4.536 1.00 0.00 C ATOM 0 H LEU A 83 2.362 -11.153 4.833 1.00 0.00 H new ATOM 0 HA LEU A 83 0.164 -12.907 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.284 -10.699 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.177 -11.566 2.459 1.00 0.00 H new ATOM 0 HG LEU A 83 0.166 -10.057 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.201 -8.289 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.350 -8.507 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.147 -9.164 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.294 -10.199 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.282 -11.148 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.541 -11.811 5.110 1.00 0.00 H new ATOM 1281 N LYS A 84 2.500 -13.273 2.320 1.00 0.00 N ATOM 1282 CA LYS A 84 3.020 -14.195 1.318 1.00 0.00 C ATOM 1283 C LYS A 84 3.455 -15.508 1.961 1.00 0.00 C ATOM 1284 O LYS A 84 3.143 -16.588 1.461 1.00 0.00 O ATOM 1285 CB LYS A 84 4.200 -13.563 0.576 1.00 0.00 C ATOM 1286 CG LYS A 84 5.336 -13.138 1.490 1.00 0.00 C ATOM 1287 CD LYS A 84 6.494 -12.548 0.703 1.00 0.00 C ATOM 1288 CE LYS A 84 6.165 -11.154 0.190 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.228 -10.631 -0.714 1.00 0.00 N ATOM 0 H LYS A 84 3.059 -12.429 2.446 1.00 0.00 H new ATOM 0 HA LYS A 84 2.222 -14.406 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.581 -14.275 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.846 -12.694 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.971 -12.403 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.685 -13.998 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.381 -12.504 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.734 -13.199 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.214 -11.178 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.040 -10.476 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.922 -9.725 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.105 -10.488 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.401 -11.314 -1.479 1.00 0.00 H new ATOM 1303 N ASN A 85 4.177 -15.407 3.073 1.00 0.00 N ATOM 1304 CA ASN A 85 4.654 -16.587 3.784 1.00 0.00 C ATOM 1305 C ASN A 85 3.484 -17.430 4.285 1.00 0.00 C ATOM 1306 O ASN A 85 3.582 -18.654 4.379 1.00 0.00 O ATOM 1307 CB ASN A 85 5.540 -16.175 4.961 1.00 0.00 C ATOM 1308 CG ASN A 85 6.382 -17.324 5.481 1.00 0.00 C ATOM 1309 OD1 ASN A 85 5.874 -18.232 6.139 1.00 0.00 O ATOM 1310 ND2 ASN A 85 7.677 -17.289 5.187 1.00 0.00 N ATOM 0 H ASN A 85 4.444 -14.520 3.501 1.00 0.00 H new ATOM 0 HA ASN A 85 5.241 -17.187 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.194 -15.360 4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.914 -15.793 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.294 -18.035 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.055 -16.516 4.639 1.00 0.00 H new ATOM 1317 N LYS A 86 2.378 -16.767 4.604 1.00 0.00 N ATOM 1318 CA LYS A 86 1.188 -17.454 5.093 1.00 0.00 C ATOM 1319 C LYS A 86 0.334 -17.956 3.933 1.00 0.00 C ATOM 1320 O LYS A 86 0.245 -19.159 3.692 1.00 0.00 O ATOM 1321 CB LYS A 86 0.363 -16.518 5.980 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.035 -17.035 6.273 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.944 -15.927 6.778 1.00 0.00 C ATOM 1324 CE LYS A 86 -3.411 -16.273 6.575 1.00 0.00 C ATOM 1325 NZ LYS A 86 -4.311 -15.263 7.197 1.00 0.00 N ATOM 0 H LYS A 86 2.281 -15.754 4.533 1.00 0.00 H new ATOM 0 HA LYS A 86 1.510 -18.313 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.890 -16.365 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.287 -15.545 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.459 -17.472 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.982 -17.830 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.753 -15.753 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.712 -14.999 6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.624 -16.341 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.615 -17.254 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.302 -15.535 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.126 -15.216 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.134 -14.331 6.770 1.00 0.00 H new ATOM 1339 N GLU A 87 -0.290 -17.025 3.217 1.00 0.00 N ATOM 1340 CA GLU A 87 -1.135 -17.375 2.082 1.00 0.00 C ATOM 1341 C GLU A 87 -0.538 -18.539 1.297 1.00 0.00 C ATOM 1342 O GLU A 87 0.450 -18.379 0.581 1.00 0.00 O ATOM 1343 CB GLU A 87 -1.319 -16.166 1.162 1.00 0.00 C ATOM 1344 CG GLU A 87 -2.452 -16.328 0.163 1.00 0.00 C ATOM 1345 CD GLU A 87 -2.249 -17.512 -0.762 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -1.545 -17.355 -1.782 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -2.795 -18.596 -0.467 1.00 0.00 O ATOM 0 H GLU A 87 -0.226 -16.024 3.403 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.108 -17.680 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.507 -15.282 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.390 -15.988 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.392 -16.449 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.540 -15.418 -0.431 1.00 0.00 H new ATOM 1354 N LYS A 88 -1.145 -19.713 1.437 1.00 0.00 N ATOM 1355 CA LYS A 88 -0.676 -20.906 0.742 1.00 0.00 C ATOM 1356 C LYS A 88 -1.437 -21.109 -0.564 1.00 0.00 C ATOM 1357 O LYS A 88 -2.417 -21.852 -0.615 1.00 0.00 O ATOM 1358 CB LYS A 88 -0.836 -22.138 1.635 1.00 0.00 C ATOM 1359 CG LYS A 88 -0.671 -23.453 0.893 1.00 0.00 C ATOM 1360 CD LYS A 88 -0.128 -24.542 1.802 1.00 0.00 C ATOM 1361 CE LYS A 88 -0.526 -25.926 1.313 1.00 0.00 C ATOM 1362 NZ LYS A 88 0.321 -26.993 1.916 1.00 0.00 N ATOM 0 H LYS A 88 -1.964 -19.864 2.026 1.00 0.00 H new ATOM 0 HA LYS A 88 0.380 -20.769 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.103 -22.090 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.822 -22.114 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.632 -23.765 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.004 -23.313 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.959 -24.470 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.501 -24.392 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.572 -26.111 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.441 -25.966 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.018 -27.921 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.316 -26.832 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.221 -26.972 2.951 1.00 0.00 H new ATOM 1376 N LYS A 89 -0.979 -20.445 -1.620 1.00 0.00 N ATOM 1377 CA LYS A 89 -1.614 -20.554 -2.928 1.00 0.00 C ATOM 1378 C LYS A 89 -0.816 -19.797 -3.985 1.00 0.00 C ATOM 1379 O LYS A 89 -0.063 -18.878 -3.667 1.00 0.00 O ATOM 1380 CB LYS A 89 -3.045 -20.015 -2.870 1.00 0.00 C ATOM 1381 CG LYS A 89 -3.987 -20.682 -3.856 1.00 0.00 C ATOM 1382 CD LYS A 89 -5.326 -19.967 -3.919 1.00 0.00 C ATOM 1383 CE LYS A 89 -6.151 -20.217 -2.665 1.00 0.00 C ATOM 1384 NZ LYS A 89 -7.518 -19.638 -2.776 1.00 0.00 N ATOM 0 H LYS A 89 -0.169 -19.825 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.641 -21.608 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.434 -20.150 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.028 -18.943 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.532 -20.691 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.142 -21.721 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.163 -18.896 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.880 -20.306 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.224 -21.290 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.642 -19.785 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.048 -19.830 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.449 -18.610 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.013 -20.069 -3.583 1.00 0.00 H new ATOM 1398 N ALA A 90 -0.989 -20.189 -5.243 1.00 0.00 N ATOM 1399 CA ALA A 90 -0.288 -19.545 -6.347 1.00 0.00 C ATOM 1400 C ALA A 90 1.200 -19.402 -6.044 1.00 0.00 C ATOM 1401 O ALA A 90 1.779 -18.331 -6.224 1.00 0.00 O ATOM 1402 CB ALA A 90 -0.902 -18.184 -6.639 1.00 0.00 C ATOM 0 H ALA A 90 -1.609 -20.949 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.393 -20.176 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.369 -17.714 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.951 -18.308 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.827 -17.553 -5.753 1.00 0.00 H new ATOM 1408 N GLN A 91 1.812 -20.489 -5.584 1.00 0.00 N ATOM 1409 CA GLN A 91 3.232 -20.483 -5.255 1.00 0.00 C ATOM 1410 C GLN A 91 4.058 -21.066 -6.397 1.00 0.00 C ATOM 1411 O GLN A 91 4.462 -22.229 -6.354 1.00 0.00 O ATOM 1412 CB GLN A 91 3.484 -21.276 -3.971 1.00 0.00 C ATOM 1413 CG GLN A 91 2.587 -22.495 -3.824 1.00 0.00 C ATOM 1414 CD GLN A 91 3.107 -23.481 -2.796 1.00 0.00 C ATOM 1415 OE1 GLN A 91 3.179 -23.175 -1.606 1.00 0.00 O ATOM 1416 NE2 GLN A 91 3.472 -24.674 -3.252 1.00 0.00 N ATOM 0 H GLN A 91 1.347 -21.384 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 91 3.538 -19.448 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.526 -21.597 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.335 -20.620 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.586 -22.172 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.498 -22.995 -4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.395 -24.885 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.829 -25.379 -2.607 1.00 0.00 H new ATOM 1425 N LYS A 92 4.305 -20.253 -7.418 1.00 0.00 N ATOM 1426 CA LYS A 92 5.083 -20.686 -8.572 1.00 0.00 C ATOM 1427 C LYS A 92 6.553 -20.316 -8.407 1.00 0.00 C ATOM 1428 O LYS A 92 6.896 -19.232 -7.933 1.00 0.00 O ATOM 1429 CB LYS A 92 4.528 -20.059 -9.852 1.00 0.00 C ATOM 1430 CG LYS A 92 5.108 -20.655 -11.123 1.00 0.00 C ATOM 1431 CD LYS A 92 4.595 -19.937 -12.360 1.00 0.00 C ATOM 1432 CE LYS A 92 5.199 -18.547 -12.489 1.00 0.00 C ATOM 1433 NZ LYS A 92 4.413 -17.529 -11.739 1.00 0.00 N ATOM 0 H LYS A 92 3.977 -19.289 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 92 5.006 -21.771 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.445 -20.180 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.729 -18.988 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.196 -20.594 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.849 -21.712 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.835 -20.523 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.509 -19.860 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.224 -18.560 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.245 -18.267 -13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.055 -16.811 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.612 -17.991 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.022 -17.074 -11.030 1.00 0.00 H new ATOM 1447 N PRO A 93 7.445 -21.234 -8.809 1.00 0.00 N ATOM 1448 CA PRO A 93 8.893 -21.024 -8.718 1.00 0.00 C ATOM 1449 C PRO A 93 9.389 -19.969 -9.701 1.00 0.00 C ATOM 1450 O PRO A 93 8.693 -19.617 -10.653 1.00 0.00 O ATOM 1451 CB PRO A 93 9.473 -22.397 -9.068 1.00 0.00 C ATOM 1452 CG PRO A 93 8.426 -23.047 -9.906 1.00 0.00 C ATOM 1453 CD PRO A 93 7.108 -22.547 -9.384 1.00 0.00 C ATOM 0 HA PRO A 93 9.191 -20.658 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.413 -22.303 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.680 -22.980 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.552 -22.789 -10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.487 -24.133 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.368 -22.459 -10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.692 -23.219 -8.634 1.00 0.00 H new ATOM 1461 N VAL A 94 10.598 -19.469 -9.464 1.00 0.00 N ATOM 1462 CA VAL A 94 11.188 -18.455 -10.330 1.00 0.00 C ATOM 1463 C VAL A 94 10.871 -18.732 -11.796 1.00 0.00 C ATOM 1464 O VAL A 94 11.189 -19.799 -12.320 1.00 0.00 O ATOM 1465 CB VAL A 94 12.716 -18.385 -10.151 1.00 0.00 C ATOM 1466 CG1 VAL A 94 13.370 -19.669 -10.635 1.00 0.00 C ATOM 1467 CG2 VAL A 94 13.283 -17.178 -10.884 1.00 0.00 C ATOM 0 H VAL A 94 11.187 -19.749 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 94 10.751 -17.499 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 94 12.935 -18.273 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.450 -19.601 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.985 -20.512 -10.061 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.145 -19.816 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 94 14.364 -17.144 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.054 -17.257 -11.947 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.838 -16.267 -10.484 1.00 0.00 H new ATOM 1477 N LYS A 95 10.243 -17.763 -12.453 1.00 0.00 N ATOM 1478 CA LYS A 95 9.884 -17.900 -13.859 1.00 0.00 C ATOM 1479 C LYS A 95 11.095 -17.664 -14.756 1.00 0.00 C ATOM 1480 O LYS A 95 12.186 -17.363 -14.272 1.00 0.00 O ATOM 1481 CB LYS A 95 8.770 -16.915 -14.221 1.00 0.00 C ATOM 1482 CG LYS A 95 9.169 -15.458 -14.057 1.00 0.00 C ATOM 1483 CD LYS A 95 7.959 -14.573 -13.811 1.00 0.00 C ATOM 1484 CE LYS A 95 7.362 -14.070 -15.117 1.00 0.00 C ATOM 1485 NZ LYS A 95 6.544 -12.842 -14.916 1.00 0.00 N ATOM 0 H LYS A 95 9.972 -16.874 -12.034 1.00 0.00 H new ATOM 0 HA LYS A 95 9.528 -18.918 -14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.467 -17.086 -15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.900 -17.117 -13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.866 -15.362 -13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.692 -15.120 -14.952 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.205 -15.132 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.248 -13.724 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.163 -13.861 -15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.742 -14.851 -15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.155 -12.531 -15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.764 -13.048 -14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.141 -12.088 -14.519 1.00 0.00 H new ATOM 1499 N GLU A 96 10.895 -17.802 -16.062 1.00 0.00 N ATOM 1500 CA GLU A 96 11.972 -17.603 -17.025 1.00 0.00 C ATOM 1501 C GLU A 96 12.683 -16.276 -16.779 1.00 0.00 C ATOM 1502 O GLU A 96 12.310 -15.515 -15.888 1.00 0.00 O ATOM 1503 CB GLU A 96 11.424 -17.644 -18.453 1.00 0.00 C ATOM 1504 CG GLU A 96 11.084 -19.045 -18.935 1.00 0.00 C ATOM 1505 CD GLU A 96 11.182 -19.183 -20.441 1.00 0.00 C ATOM 1506 OE1 GLU A 96 10.617 -18.328 -21.154 1.00 0.00 O ATOM 1507 OE2 GLU A 96 11.824 -20.148 -20.907 1.00 0.00 O ATOM 0 H GLU A 96 9.998 -18.051 -16.478 1.00 0.00 H new ATOM 0 HA GLU A 96 12.693 -18.411 -16.897 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.530 -17.023 -18.508 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.159 -17.205 -19.128 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.757 -19.761 -18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.074 -19.300 -18.615 1.00 0.00 H new ATOM 1514 N GLY A 97 13.711 -16.005 -17.578 1.00 0.00 N ATOM 1515 CA GLY A 97 14.459 -14.770 -17.432 1.00 0.00 C ATOM 1516 C GLY A 97 13.627 -13.546 -17.758 1.00 0.00 C ATOM 1517 O GLY A 97 13.186 -13.373 -18.894 1.00 0.00 O ATOM 0 H GLY A 97 14.039 -16.619 -18.324 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.829 -14.692 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.331 -14.797 -18.086 1.00 0.00 H new ATOM 1521 N GLN A 98 13.410 -12.696 -16.760 1.00 0.00 N ATOM 1522 CA GLN A 98 12.622 -11.483 -16.947 1.00 0.00 C ATOM 1523 C GLN A 98 13.330 -10.515 -17.889 1.00 0.00 C ATOM 1524 O GLN A 98 14.556 -10.396 -17.890 1.00 0.00 O ATOM 1525 CB GLN A 98 12.363 -10.805 -15.600 1.00 0.00 C ATOM 1526 CG GLN A 98 13.629 -10.351 -14.893 1.00 0.00 C ATOM 1527 CD GLN A 98 14.344 -11.488 -14.189 1.00 0.00 C ATOM 1528 OE1 GLN A 98 13.795 -12.113 -13.281 1.00 0.00 O ATOM 1529 NE2 GLN A 98 15.575 -11.762 -14.604 1.00 0.00 N ATOM 0 H GLN A 98 13.769 -12.824 -15.814 1.00 0.00 H new ATOM 0 HA GLN A 98 11.668 -11.764 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.715 -9.943 -15.756 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.824 -11.496 -14.953 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.303 -9.897 -15.619 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.378 -9.579 -14.166 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.991 -11.218 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.105 -12.516 -14.167 1.00 0.00 H new ATOM 1538 N PRO A 99 12.542 -9.805 -18.710 1.00 0.00 N ATOM 1539 CA PRO A 99 13.072 -8.834 -19.673 1.00 0.00 C ATOM 1540 C PRO A 99 13.643 -7.595 -18.991 1.00 0.00 C ATOM 1541 O PRO A 99 13.611 -7.479 -17.766 1.00 0.00 O ATOM 1542 CB PRO A 99 11.848 -8.465 -20.514 1.00 0.00 C ATOM 1543 CG PRO A 99 10.683 -8.726 -19.624 1.00 0.00 C ATOM 1544 CD PRO A 99 11.073 -9.896 -18.763 1.00 0.00 C ATOM 0 HA PRO A 99 13.898 -9.245 -20.254 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.882 -7.421 -20.825 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.795 -9.067 -21.421 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.454 -7.852 -19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.790 -8.951 -20.207 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.630 -9.829 -17.769 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.744 -10.841 -19.196 1.00 0.00 H new ATOM 1552 N SER A 100 14.165 -6.672 -19.793 1.00 0.00 N ATOM 1553 CA SER A 100 14.746 -5.443 -19.266 1.00 0.00 C ATOM 1554 C SER A 100 14.600 -4.301 -20.267 1.00 0.00 C ATOM 1555 O SER A 100 14.571 -4.505 -21.481 1.00 0.00 O ATOM 1556 CB SER A 100 16.223 -5.656 -18.930 1.00 0.00 C ATOM 1557 OG SER A 100 16.383 -6.108 -17.596 1.00 0.00 O ATOM 0 H SER A 100 14.197 -6.752 -20.809 1.00 0.00 H new ATOM 0 HA SER A 100 14.208 -5.177 -18.356 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.654 -6.383 -19.618 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.769 -4.723 -19.069 1.00 0.00 H new ATOM 0 HG SER A 100 15.594 -6.623 -17.328 1.00 0.00 H new ATOM 1563 N PRO A 101 14.506 -3.068 -19.747 1.00 0.00 N ATOM 1564 CA PRO A 101 14.362 -1.868 -20.576 1.00 0.00 C ATOM 1565 C PRO A 101 15.631 -1.547 -21.358 1.00 0.00 C ATOM 1566 O PRO A 101 16.597 -2.309 -21.330 1.00 0.00 O ATOM 1567 CB PRO A 101 14.069 -0.765 -19.556 1.00 0.00 C ATOM 1568 CG PRO A 101 14.674 -1.254 -18.285 1.00 0.00 C ATOM 1569 CD PRO A 101 14.534 -2.751 -18.309 1.00 0.00 C ATOM 0 HA PRO A 101 13.585 -1.986 -21.332 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.507 0.185 -19.863 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.997 -0.601 -19.447 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.721 -0.961 -18.213 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.164 -0.828 -17.421 1.00 0.00 H new ATOM 0 HD2 PRO A 101 15.368 -3.241 -17.806 1.00 0.00 H new ATOM 0 HD3 PRO A 101 13.623 -3.077 -17.808 1.00 0.00 H new ATOM 1577 N ALA A 102 15.622 -0.415 -22.054 1.00 0.00 N ATOM 1578 CA ALA A 102 16.774 0.007 -22.841 1.00 0.00 C ATOM 1579 C ALA A 102 17.308 1.350 -22.356 1.00 0.00 C ATOM 1580 O ALA A 102 16.604 2.102 -21.681 1.00 0.00 O ATOM 1581 CB ALA A 102 16.406 0.084 -24.316 1.00 0.00 C ATOM 0 H ALA A 102 14.830 0.226 -22.089 1.00 0.00 H new ATOM 0 HA ALA A 102 17.562 -0.735 -22.713 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.276 0.400 -24.892 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.079 -0.897 -24.661 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.599 0.804 -24.453 1.00 0.00 H new ATOM 1587 N ASP A 103 18.556 1.645 -22.703 1.00 0.00 N ATOM 1588 CA ASP A 103 19.185 2.899 -22.303 1.00 0.00 C ATOM 1589 C ASP A 103 18.459 4.091 -22.918 1.00 0.00 C ATOM 1590 O ASP A 103 17.730 3.947 -23.899 1.00 0.00 O ATOM 1591 CB ASP A 103 20.656 2.912 -22.719 1.00 0.00 C ATOM 1592 CG ASP A 103 21.343 1.586 -22.458 1.00 0.00 C ATOM 1593 OD1 ASP A 103 21.340 1.136 -21.293 1.00 0.00 O ATOM 1594 OD2 ASP A 103 21.885 0.999 -23.418 1.00 0.00 O ATOM 0 H ASP A 103 19.152 1.033 -23.260 1.00 0.00 H new ATOM 0 HA ASP A 103 19.122 2.978 -21.218 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.729 3.153 -23.780 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.177 3.701 -22.177 1.00 0.00 H new ATOM 1599 N GLU A 104 18.663 5.268 -22.334 1.00 0.00 N ATOM 1600 CA GLU A 104 18.026 6.484 -22.824 1.00 0.00 C ATOM 1601 C GLU A 104 19.071 7.521 -23.227 1.00 0.00 C ATOM 1602 O GLU A 104 19.765 8.082 -22.378 1.00 0.00 O ATOM 1603 CB GLU A 104 17.098 7.067 -21.756 1.00 0.00 C ATOM 1604 CG GLU A 104 15.728 6.412 -21.717 1.00 0.00 C ATOM 1605 CD GLU A 104 14.881 6.899 -20.557 1.00 0.00 C ATOM 1606 OE1 GLU A 104 15.421 7.012 -19.436 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.680 7.166 -20.769 1.00 0.00 O ATOM 0 H GLU A 104 19.264 5.405 -21.521 1.00 0.00 H new ATOM 0 HA GLU A 104 17.437 6.226 -23.704 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.570 6.961 -20.779 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.976 8.135 -21.937 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.206 6.614 -22.653 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.848 5.331 -21.646 1.00 0.00 H new ATOM 1614 N LYS A 105 19.177 7.771 -24.527 1.00 0.00 N ATOM 1615 CA LYS A 105 20.136 8.740 -25.045 1.00 0.00 C ATOM 1616 C LYS A 105 19.488 10.111 -25.211 1.00 0.00 C ATOM 1617 O LYS A 105 18.371 10.224 -25.714 1.00 0.00 O ATOM 1618 CB LYS A 105 20.699 8.265 -26.386 1.00 0.00 C ATOM 1619 CG LYS A 105 22.111 8.755 -26.660 1.00 0.00 C ATOM 1620 CD LYS A 105 23.138 7.971 -25.861 1.00 0.00 C ATOM 1621 CE LYS A 105 24.536 8.545 -26.035 1.00 0.00 C ATOM 1622 NZ LYS A 105 25.556 7.757 -25.290 1.00 0.00 N ATOM 0 H LYS A 105 18.610 7.316 -25.242 1.00 0.00 H new ATOM 0 HA LYS A 105 20.951 8.827 -24.326 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.691 7.175 -26.409 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.043 8.606 -27.187 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.329 8.663 -27.724 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.185 9.813 -26.410 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.867 7.984 -24.805 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.129 6.928 -26.179 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.792 8.561 -27.094 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.550 9.578 -25.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.495 8.180 -25.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.326 7.762 -24.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.561 6.777 -25.639 1.00 0.00 H new ATOM 1636 N GLY A 106 20.197 11.152 -24.785 1.00 0.00 N ATOM 1637 CA GLY A 106 19.675 12.502 -24.897 1.00 0.00 C ATOM 1638 C GLY A 106 20.773 13.542 -24.999 1.00 0.00 C ATOM 1639 O GLY A 106 21.502 13.781 -24.037 1.00 0.00 O ATOM 0 H GLY A 106 21.124 11.085 -24.364 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.033 12.568 -25.776 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.052 12.720 -24.030 1.00 0.00 H new ATOM 1643 N ASN A 107 20.893 14.161 -26.169 1.00 0.00 N ATOM 1644 CA ASN A 107 21.912 15.179 -26.394 1.00 0.00 C ATOM 1645 C ASN A 107 21.384 16.565 -26.035 1.00 0.00 C ATOM 1646 O ASN A 107 20.342 16.992 -26.532 1.00 0.00 O ATOM 1647 CB ASN A 107 22.371 15.158 -27.853 1.00 0.00 C ATOM 1648 CG ASN A 107 23.711 15.841 -28.048 1.00 0.00 C ATOM 1649 OD1 ASN A 107 24.003 16.853 -27.410 1.00 0.00 O ATOM 1650 ND2 ASN A 107 24.532 15.290 -28.934 1.00 0.00 N ATOM 0 H ASN A 107 20.297 13.975 -26.976 1.00 0.00 H new ATOM 0 HA ASN A 107 22.762 14.955 -25.750 1.00 0.00 H new ATOM 0 HB2 ASN A 107 22.440 14.125 -28.194 1.00 0.00 H new ATOM 0 HB3 ASN A 107 21.622 15.650 -28.474 1.00 0.00 H new ATOM 0 HD21 ASN A 107 25.447 15.706 -29.109 1.00 0.00 H new ATOM 0 HD22 ASN A 107 24.248 14.451 -29.440 1.00 0.00 H new ATOM 1657 N ASP A 108 22.111 17.263 -25.169 1.00 0.00 N ATOM 1658 CA ASP A 108 21.718 18.601 -24.744 1.00 0.00 C ATOM 1659 C ASP A 108 21.289 19.446 -25.940 1.00 0.00 C ATOM 1660 O ASP A 108 20.181 19.983 -25.967 1.00 0.00 O ATOM 1661 CB ASP A 108 22.871 19.285 -24.008 1.00 0.00 C ATOM 1662 CG ASP A 108 23.219 18.593 -22.705 1.00 0.00 C ATOM 1663 OD1 ASP A 108 23.945 17.577 -22.748 1.00 0.00 O ATOM 1664 OD2 ASP A 108 22.765 19.066 -21.643 1.00 0.00 O ATOM 0 H ASP A 108 22.976 16.924 -24.748 1.00 0.00 H new ATOM 0 HA ASP A 108 20.870 18.506 -24.066 1.00 0.00 H new ATOM 0 HB2 ASP A 108 23.750 19.302 -24.653 1.00 0.00 H new ATOM 0 HB3 ASP A 108 22.604 20.322 -23.805 1.00 0.00 H new ATOM 1669 N SER A 109 22.173 19.561 -26.925 1.00 0.00 N ATOM 1670 CA SER A 109 21.887 20.345 -28.121 1.00 0.00 C ATOM 1671 C SER A 109 21.188 21.652 -27.760 1.00 0.00 C ATOM 1672 O SER A 109 20.233 22.061 -28.420 1.00 0.00 O ATOM 1673 CB SER A 109 21.018 19.539 -29.089 1.00 0.00 C ATOM 1674 OG SER A 109 19.707 19.372 -28.579 1.00 0.00 O ATOM 0 H SER A 109 23.093 19.121 -26.919 1.00 0.00 H new ATOM 0 HA SER A 109 22.834 20.582 -28.605 1.00 0.00 H new ATOM 0 HB2 SER A 109 20.975 20.047 -30.053 1.00 0.00 H new ATOM 0 HB3 SER A 109 21.471 18.563 -29.263 1.00 0.00 H new ATOM 0 HG SER A 109 19.672 19.696 -27.655 1.00 0.00 H new ATOM 1680 N ASP A 110 21.672 22.302 -26.707 1.00 0.00 N ATOM 1681 CA ASP A 110 21.096 23.564 -26.257 1.00 0.00 C ATOM 1682 C ASP A 110 22.190 24.551 -25.863 1.00 0.00 C ATOM 1683 O ASP A 110 23.187 24.176 -25.248 1.00 0.00 O ATOM 1684 CB ASP A 110 20.156 23.327 -25.074 1.00 0.00 C ATOM 1685 CG ASP A 110 19.238 24.506 -24.819 1.00 0.00 C ATOM 1686 OD1 ASP A 110 18.481 24.880 -25.739 1.00 0.00 O ATOM 1687 OD2 ASP A 110 19.276 25.054 -23.697 1.00 0.00 O ATOM 0 H ASP A 110 22.461 21.976 -26.149 1.00 0.00 H new ATOM 0 HA ASP A 110 20.527 23.990 -27.083 1.00 0.00 H new ATOM 0 HB2 ASP A 110 19.556 22.437 -25.263 1.00 0.00 H new ATOM 0 HB3 ASP A 110 20.746 23.129 -24.179 1.00 0.00 H new ATOM 1692 N GLY A 111 21.997 25.816 -26.224 1.00 0.00 N ATOM 1693 CA GLY A 111 22.976 26.838 -25.901 1.00 0.00 C ATOM 1694 C GLY A 111 22.388 28.235 -25.933 1.00 0.00 C ATOM 1695 O GLY A 111 21.203 28.411 -26.215 1.00 0.00 O ATOM 0 H GLY A 111 21.180 26.151 -26.734 1.00 0.00 H new ATOM 0 HA2 GLY A 111 23.387 26.643 -24.911 1.00 0.00 H new ATOM 0 HA3 GLY A 111 23.804 26.779 -26.607 1.00 0.00 H new ATOM 1699 N SER A 112 23.219 29.231 -25.641 1.00 0.00 N ATOM 1700 CA SER A 112 22.773 30.619 -25.632 1.00 0.00 C ATOM 1701 C SER A 112 23.822 31.530 -26.263 1.00 0.00 C ATOM 1702 O SER A 112 24.910 31.086 -26.625 1.00 0.00 O ATOM 1703 CB SER A 112 22.481 31.074 -24.201 1.00 0.00 C ATOM 1704 OG SER A 112 21.320 30.441 -23.692 1.00 0.00 O ATOM 0 H SER A 112 24.204 29.102 -25.408 1.00 0.00 H new ATOM 0 HA SER A 112 21.858 30.685 -26.220 1.00 0.00 H new ATOM 0 HB2 SER A 112 23.334 30.845 -23.562 1.00 0.00 H new ATOM 0 HB3 SER A 112 22.348 32.156 -24.180 1.00 0.00 H new ATOM 0 HG SER A 112 21.156 30.747 -22.776 1.00 0.00 H new ATOM 1710 N GLY A 113 23.484 32.810 -26.393 1.00 0.00 N ATOM 1711 CA GLY A 113 24.406 33.765 -26.980 1.00 0.00 C ATOM 1712 C GLY A 113 24.209 35.168 -26.441 1.00 0.00 C ATOM 1713 O GLY A 113 23.583 36.017 -27.075 1.00 0.00 O ATOM 0 H GLY A 113 22.588 33.202 -26.102 1.00 0.00 H new ATOM 0 HA2 GLY A 113 25.429 33.444 -26.785 1.00 0.00 H new ATOM 0 HA3 GLY A 113 24.276 33.773 -28.062 1.00 0.00 H new ATOM 1717 N PRO A 114 24.752 35.427 -25.242 1.00 0.00 N ATOM 1718 CA PRO A 114 24.645 36.736 -24.591 1.00 0.00 C ATOM 1719 C PRO A 114 25.466 37.806 -25.303 1.00 0.00 C ATOM 1720 O PRO A 114 26.578 37.546 -25.762 1.00 0.00 O ATOM 1721 CB PRO A 114 25.201 36.481 -23.188 1.00 0.00 C ATOM 1722 CG PRO A 114 26.115 35.316 -23.349 1.00 0.00 C ATOM 1723 CD PRO A 114 25.512 34.462 -24.430 1.00 0.00 C ATOM 0 HA PRO A 114 23.622 37.112 -24.597 1.00 0.00 H new ATOM 0 HB2 PRO A 114 25.734 37.353 -22.809 1.00 0.00 H new ATOM 0 HB3 PRO A 114 24.402 36.263 -22.479 1.00 0.00 H new ATOM 0 HG2 PRO A 114 27.118 35.642 -23.624 1.00 0.00 H new ATOM 0 HG3 PRO A 114 26.205 34.759 -22.416 1.00 0.00 H new ATOM 0 HD2 PRO A 114 26.279 33.957 -25.018 1.00 0.00 H new ATOM 0 HD3 PRO A 114 24.866 33.687 -24.017 1.00 0.00 H new ATOM 1731 N SER A 115 24.910 39.010 -25.391 1.00 0.00 N ATOM 1732 CA SER A 115 25.590 40.119 -26.050 1.00 0.00 C ATOM 1733 C SER A 115 25.458 41.400 -25.232 1.00 0.00 C ATOM 1734 O SER A 115 24.804 41.420 -24.190 1.00 0.00 O ATOM 1735 CB SER A 115 25.016 40.335 -27.452 1.00 0.00 C ATOM 1736 OG SER A 115 25.298 39.231 -28.294 1.00 0.00 O ATOM 0 H SER A 115 23.991 39.242 -25.014 1.00 0.00 H new ATOM 0 HA SER A 115 26.648 39.868 -26.132 1.00 0.00 H new ATOM 0 HB2 SER A 115 23.938 40.482 -27.388 1.00 0.00 H new ATOM 0 HB3 SER A 115 25.436 41.243 -27.885 1.00 0.00 H new ATOM 0 HG SER A 115 24.919 39.393 -29.183 1.00 0.00 H new ATOM 1742 N SER A 116 26.086 42.469 -25.713 1.00 0.00 N ATOM 1743 CA SER A 116 26.044 43.754 -25.025 1.00 0.00 C ATOM 1744 C SER A 116 25.348 44.807 -25.883 1.00 0.00 C ATOM 1745 O SER A 116 25.319 44.704 -27.108 1.00 0.00 O ATOM 1746 CB SER A 116 27.460 44.217 -24.677 1.00 0.00 C ATOM 1747 OG SER A 116 27.859 43.728 -23.409 1.00 0.00 O ATOM 0 H SER A 116 26.630 42.470 -26.576 1.00 0.00 H new ATOM 0 HA SER A 116 25.475 43.627 -24.104 1.00 0.00 H new ATOM 0 HB2 SER A 116 28.157 43.870 -25.440 1.00 0.00 H new ATOM 0 HB3 SER A 116 27.501 45.306 -24.679 1.00 0.00 H new ATOM 0 HG SER A 116 28.768 44.036 -23.211 1.00 0.00 H new ATOM 1753 N GLY A 117 24.789 45.820 -25.228 1.00 0.00 N ATOM 1754 CA GLY A 117 24.101 46.877 -25.945 1.00 0.00 C ATOM 1755 C GLY A 117 24.728 48.237 -25.714 1.00 0.00 C ATOM 1756 O GLY A 117 25.248 48.513 -24.633 1.00 0.00 O ATOM 0 H GLY A 117 24.800 45.927 -24.214 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.109 46.653 -27.012 1.00 0.00 H new ATOM 0 HA3 GLY A 117 23.057 46.904 -25.633 1.00 0.00 H new TER 1760 GLY A 117