USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 686 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 89 HIS : no HD1:sc= -0.159 X(o=-0.17,f=-0.4) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= -0.0136 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.0554 X(o=0.26,f=0.18) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0.312 USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 49 GLN : amide:sc= 0 K(o=0,f=0.53) USER MOD Set 4.1: A 18 TYR OH : rot -30:sc= 0.969 USER MOD Set 4.2: A 43 TYR OH : rot -175:sc= 1.26 USER MOD Set 5.1: A 4 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Set 5.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.124 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.569 K(o=0.57,f=-2.5!) USER MOD Single : A 3 MET CE :methyl -138:sc= 0 (180deg=-0.0257) USER MOD Single : A 7 TYR OH : rot -80:sc= 0.0641 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0765 USER MOD Single : A 9 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -37:sc= 0.121 USER MOD Single : A 19 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0877 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -124:sc= 1.23 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.302 K(o=-0.3,f=-3!) USER MOD Single : A 32 THR OG1 : rot -108:sc= 1.31 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.72) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.642 K(o=0.64,f=-0.33) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 96:sc= 0.207 USER MOD Single : A 67 GLN : amide:sc= 0.492 K(o=0.49,f=-4!) USER MOD Single : A 68 SER OG : rot 7:sc= 0.704 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= -0.0408 (180deg=-0.357) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0197) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.890 28.706 4.090 1.00 0.00 N ATOM 2 CA GLY A 1 -8.011 27.254 3.937 1.00 0.00 C ATOM 3 C GLY A 1 -7.066 26.783 2.850 1.00 0.00 C ATOM 4 O GLY A 1 -6.073 27.460 2.592 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.688 28.935 5.084 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.115 29.055 3.491 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.781 29.161 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.777 26.757 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.037 26.988 3.683 1.00 0.00 H new ATOM 8 N HIS A 2 -7.395 25.659 2.200 1.00 0.00 N ATOM 9 CA HIS A 2 -6.624 24.965 1.158 1.00 0.00 C ATOM 10 C HIS A 2 -5.430 24.237 1.779 1.00 0.00 C ATOM 11 O HIS A 2 -4.867 24.706 2.771 1.00 0.00 O ATOM 12 CB HIS A 2 -6.143 25.916 0.049 1.00 0.00 C ATOM 13 CG HIS A 2 -7.189 26.874 -0.464 1.00 0.00 C ATOM 14 ND1 HIS A 2 -8.354 26.555 -1.130 1.00 0.00 N ATOM 15 CD2 HIS A 2 -7.147 28.232 -0.311 1.00 0.00 C ATOM 16 CE1 HIS A 2 -9.001 27.709 -1.377 1.00 0.00 C ATOM 17 NE2 HIS A 2 -8.319 28.752 -0.869 1.00 0.00 N ATOM 0 H HIS A 2 -8.270 25.175 2.403 1.00 0.00 H new ATOM 0 HA HIS A 2 -7.294 24.241 0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -5.298 26.492 0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.776 25.320 -0.787 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -8.667 25.619 -1.387 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.355 28.799 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -9.938 27.787 -1.909 1.00 0.00 H new ATOM 25 N MET A 3 -5.044 23.085 1.228 1.00 0.00 N ATOM 26 CA MET A 3 -4.062 22.191 1.833 1.00 0.00 C ATOM 27 C MET A 3 -3.305 21.435 0.730 1.00 0.00 C ATOM 28 O MET A 3 -3.055 21.985 -0.346 1.00 0.00 O ATOM 29 CB MET A 3 -4.735 21.272 2.867 1.00 0.00 C ATOM 30 CG MET A 3 -5.305 22.017 4.079 1.00 0.00 C ATOM 31 SD MET A 3 -5.807 20.912 5.410 1.00 0.00 S ATOM 32 CE MET A 3 -4.191 20.543 6.147 1.00 0.00 C ATOM 0 H MET A 3 -5.410 22.745 0.339 1.00 0.00 H new ATOM 0 HA MET A 3 -3.319 22.765 2.387 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.539 20.721 2.380 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.009 20.537 3.213 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.556 22.714 4.455 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.163 22.611 3.763 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.136 19.482 6.391 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.402 20.794 5.438 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.063 21.131 7.056 1.00 0.00 H new ATOM 42 N GLN A 4 -2.795 20.247 1.051 1.00 0.00 N ATOM 43 CA GLN A 4 -1.979 19.350 0.245 1.00 0.00 C ATOM 44 C GLN A 4 -2.495 17.918 0.468 1.00 0.00 C ATOM 45 O GLN A 4 -3.469 17.714 1.199 1.00 0.00 O ATOM 46 CB GLN A 4 -0.507 19.500 0.669 1.00 0.00 C ATOM 47 CG GLN A 4 -0.317 19.265 2.182 1.00 0.00 C ATOM 48 CD GLN A 4 1.137 19.160 2.615 1.00 0.00 C ATOM 49 OE1 GLN A 4 2.041 18.863 1.835 1.00 0.00 O ATOM 50 NE2 GLN A 4 1.391 19.381 3.885 1.00 0.00 N ATOM 0 H GLN A 4 -2.962 19.852 1.977 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.045 19.587 -0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.105 18.791 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.154 20.498 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.790 20.081 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.836 18.349 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.633 19.627 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.346 19.307 4.234 1.00 0.00 H new ATOM 59 N GLU A 5 -1.871 16.911 -0.142 1.00 0.00 N ATOM 60 CA GLU A 5 -2.204 15.509 0.120 1.00 0.00 C ATOM 61 C GLU A 5 -1.587 15.024 1.446 1.00 0.00 C ATOM 62 O GLU A 5 -2.019 14.014 1.995 1.00 0.00 O ATOM 63 CB GLU A 5 -1.687 14.658 -1.055 1.00 0.00 C ATOM 64 CG GLU A 5 -2.418 13.314 -1.205 1.00 0.00 C ATOM 65 CD GLU A 5 -3.733 13.476 -1.971 1.00 0.00 C ATOM 66 OE1 GLU A 5 -4.754 13.903 -1.389 1.00 0.00 O ATOM 67 OE2 GLU A 5 -3.737 13.248 -3.205 1.00 0.00 O ATOM 0 H GLU A 5 -1.126 17.041 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.285 15.408 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.793 15.226 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.622 14.470 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.776 12.605 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.619 12.895 -0.219 1.00 0.00 H new ATOM 74 N SER A 6 -0.530 15.694 1.928 1.00 0.00 N ATOM 75 CA SER A 6 0.402 15.161 2.925 1.00 0.00 C ATOM 76 C SER A 6 0.993 13.795 2.519 1.00 0.00 C ATOM 77 O SER A 6 1.569 13.109 3.361 1.00 0.00 O ATOM 78 CB SER A 6 -0.224 15.197 4.330 1.00 0.00 C ATOM 79 OG SER A 6 0.078 16.427 4.976 1.00 0.00 O ATOM 0 H SER A 6 -0.297 16.641 1.628 1.00 0.00 H new ATOM 0 HA SER A 6 1.271 15.817 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.304 15.073 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.153 14.365 4.924 1.00 0.00 H new ATOM 0 HG SER A 6 -0.328 16.436 5.868 1.00 0.00 H new ATOM 85 N TYR A 7 0.912 13.459 1.221 1.00 0.00 N ATOM 86 CA TYR A 7 1.528 12.362 0.509 1.00 0.00 C ATOM 87 C TYR A 7 0.882 11.029 0.826 1.00 0.00 C ATOM 88 O TYR A 7 0.938 10.539 1.956 1.00 0.00 O ATOM 89 CB TYR A 7 3.035 12.336 0.716 1.00 0.00 C ATOM 90 CG TYR A 7 3.725 11.239 -0.050 1.00 0.00 C ATOM 91 CD1 TYR A 7 3.615 11.187 -1.448 1.00 0.00 C ATOM 92 CD2 TYR A 7 4.475 10.276 0.641 1.00 0.00 C ATOM 93 CE1 TYR A 7 4.334 10.216 -2.169 1.00 0.00 C ATOM 94 CE2 TYR A 7 5.190 9.299 -0.065 1.00 0.00 C ATOM 95 CZ TYR A 7 5.137 9.279 -1.475 1.00 0.00 C ATOM 96 OH TYR A 7 5.663 8.217 -2.138 1.00 0.00 O ATOM 0 H TYR A 7 0.346 14.023 0.587 1.00 0.00 H new ATOM 0 HA TYR A 7 1.353 12.537 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.452 13.297 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.246 12.215 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.981 11.890 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.502 10.287 1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.274 10.186 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.778 8.566 0.467 1.00 0.00 H new ATOM 0 HH TYR A 7 4.978 7.523 -2.240 1.00 0.00 H new ATOM 106 N SER A 8 0.293 10.424 -0.202 1.00 0.00 N ATOM 107 CA SER A 8 -0.587 9.280 -0.031 1.00 0.00 C ATOM 108 C SER A 8 -0.516 8.285 -1.200 1.00 0.00 C ATOM 109 O SER A 8 -1.489 7.569 -1.455 1.00 0.00 O ATOM 110 CB SER A 8 -2.011 9.821 0.201 1.00 0.00 C ATOM 111 OG SER A 8 -2.058 10.630 1.366 1.00 0.00 O ATOM 0 H SER A 8 0.414 10.714 -1.172 1.00 0.00 H new ATOM 0 HA SER A 8 -0.264 8.698 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.330 10.402 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.709 8.990 0.301 1.00 0.00 H new ATOM 0 HG SER A 8 -2.970 10.965 1.495 1.00 0.00 H new ATOM 117 N GLN A 9 0.612 8.226 -1.917 1.00 0.00 N ATOM 118 CA GLN A 9 0.903 7.242 -2.954 1.00 0.00 C ATOM 119 C GLN A 9 2.380 6.838 -2.868 1.00 0.00 C ATOM 120 O GLN A 9 3.112 7.322 -2.005 1.00 0.00 O ATOM 121 CB GLN A 9 0.538 7.789 -4.345 1.00 0.00 C ATOM 122 CG GLN A 9 -0.975 7.969 -4.530 1.00 0.00 C ATOM 123 CD GLN A 9 -1.338 8.335 -5.963 1.00 0.00 C ATOM 124 OE1 GLN A 9 -0.909 9.371 -6.480 1.00 0.00 O ATOM 125 NE2 GLN A 9 -2.064 7.478 -6.659 1.00 0.00 N ATOM 0 H GLN A 9 1.374 8.891 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 9 0.293 6.353 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.035 8.747 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.915 7.109 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.486 7.047 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.332 8.748 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.411 6.627 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.278 7.668 -7.638 1.00 0.00 H new ATOM 134 N TYR A 10 2.843 5.966 -3.759 1.00 0.00 N ATOM 135 CA TYR A 10 4.182 5.378 -3.804 1.00 0.00 C ATOM 136 C TYR A 10 4.751 5.499 -5.228 1.00 0.00 C ATOM 137 O TYR A 10 3.999 5.825 -6.146 1.00 0.00 O ATOM 138 CB TYR A 10 4.090 3.922 -3.323 1.00 0.00 C ATOM 139 CG TYR A 10 4.062 3.807 -1.812 1.00 0.00 C ATOM 140 CD1 TYR A 10 2.877 4.080 -1.102 1.00 0.00 C ATOM 141 CD2 TYR A 10 5.240 3.495 -1.108 1.00 0.00 C ATOM 142 CE1 TYR A 10 2.866 4.061 0.302 1.00 0.00 C ATOM 143 CE2 TYR A 10 5.231 3.454 0.297 1.00 0.00 C ATOM 144 CZ TYR A 10 4.049 3.756 1.007 1.00 0.00 C ATOM 145 OH TYR A 10 4.051 3.733 2.367 1.00 0.00 O ATOM 0 H TYR A 10 2.255 5.628 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 10 4.869 5.908 -3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.191 3.463 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.940 3.361 -3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.969 4.306 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.152 3.287 -1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.955 4.279 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.130 3.191 0.834 1.00 0.00 H new ATOM 0 HH TYR A 10 4.948 3.504 2.689 1.00 0.00 H new ATOM 155 N PRO A 11 6.064 5.286 -5.446 1.00 0.00 N ATOM 156 CA PRO A 11 6.615 5.047 -6.780 1.00 0.00 C ATOM 157 C PRO A 11 6.089 3.718 -7.345 1.00 0.00 C ATOM 158 O PRO A 11 5.197 3.106 -6.772 1.00 0.00 O ATOM 159 CB PRO A 11 8.136 5.067 -6.584 1.00 0.00 C ATOM 160 CG PRO A 11 8.312 4.535 -5.165 1.00 0.00 C ATOM 161 CD PRO A 11 7.108 5.134 -4.440 1.00 0.00 C ATOM 0 HA PRO A 11 6.318 5.797 -7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.644 4.439 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.542 6.073 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.304 3.445 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.255 4.859 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.777 4.483 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.361 6.095 -3.993 1.00 0.00 H new ATOM 169 N VAL A 12 6.622 3.260 -8.473 1.00 0.00 N ATOM 170 CA VAL A 12 6.350 1.941 -9.041 1.00 0.00 C ATOM 171 C VAL A 12 7.587 1.082 -8.767 1.00 0.00 C ATOM 172 O VAL A 12 8.541 1.168 -9.541 1.00 0.00 O ATOM 173 CB VAL A 12 5.921 2.023 -10.517 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.605 0.634 -11.091 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.653 2.886 -10.622 1.00 0.00 C ATOM 0 H VAL A 12 7.273 3.810 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 12 5.489 1.466 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 12 6.745 2.457 -11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.306 0.731 -12.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.491 0.003 -11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.793 0.181 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.342 2.950 -11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.856 2.434 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.862 3.887 -10.244 1.00 0.00 H new ATOM 185 N PRO A 13 7.673 0.414 -7.601 1.00 0.00 N ATOM 186 CA PRO A 13 8.836 -0.378 -7.247 1.00 0.00 C ATOM 187 C PRO A 13 8.988 -1.549 -8.218 1.00 0.00 C ATOM 188 O PRO A 13 8.003 -2.028 -8.787 1.00 0.00 O ATOM 189 CB PRO A 13 8.567 -0.864 -5.817 1.00 0.00 C ATOM 190 CG PRO A 13 7.049 -1.020 -5.792 1.00 0.00 C ATOM 191 CD PRO A 13 6.590 0.144 -6.665 1.00 0.00 C ATOM 0 HA PRO A 13 9.765 0.190 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.074 -1.806 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.912 -0.145 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.732 -1.981 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.649 -0.952 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.672 -0.108 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.375 1.023 -6.057 1.00 0.00 H new ATOM 199 N ASP A 14 10.210 -2.063 -8.348 1.00 0.00 N ATOM 200 CA ASP A 14 10.525 -3.207 -9.195 1.00 0.00 C ATOM 201 C ASP A 14 11.431 -4.160 -8.427 1.00 0.00 C ATOM 202 O ASP A 14 12.426 -3.727 -7.836 1.00 0.00 O ATOM 203 CB ASP A 14 11.194 -2.752 -10.497 1.00 0.00 C ATOM 204 CG ASP A 14 11.051 -3.846 -11.548 1.00 0.00 C ATOM 205 OD1 ASP A 14 11.669 -4.917 -11.388 1.00 0.00 O ATOM 206 OD2 ASP A 14 10.249 -3.635 -12.489 1.00 0.00 O ATOM 0 H ASP A 14 11.022 -1.688 -7.858 1.00 0.00 H new ATOM 0 HA ASP A 14 9.603 -3.723 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.735 -1.829 -10.852 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.248 -2.537 -10.321 1.00 0.00 H new ATOM 211 N VAL A 15 11.070 -5.441 -8.393 1.00 0.00 N ATOM 212 CA VAL A 15 11.825 -6.495 -7.731 1.00 0.00 C ATOM 213 C VAL A 15 13.197 -6.695 -8.379 1.00 0.00 C ATOM 214 O VAL A 15 14.136 -7.103 -7.690 1.00 0.00 O ATOM 215 CB VAL A 15 10.983 -7.789 -7.700 1.00 0.00 C ATOM 216 CG1 VAL A 15 10.609 -8.305 -9.095 1.00 0.00 C ATOM 217 CG2 VAL A 15 11.660 -8.929 -6.933 1.00 0.00 C ATOM 0 H VAL A 15 10.218 -5.781 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 15 12.026 -6.201 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 15 10.074 -7.492 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.018 -9.216 -9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.026 -7.548 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.517 -8.519 -9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.018 -9.809 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.614 -9.168 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.831 -8.622 -5.901 1.00 0.00 H new ATOM 227 N SER A 16 13.380 -6.376 -9.664 1.00 0.00 N ATOM 228 CA SER A 16 14.647 -6.578 -10.354 1.00 0.00 C ATOM 229 C SER A 16 15.751 -5.624 -9.862 1.00 0.00 C ATOM 230 O SER A 16 16.881 -5.700 -10.351 1.00 0.00 O ATOM 231 CB SER A 16 14.429 -6.491 -11.867 1.00 0.00 C ATOM 232 OG SER A 16 13.462 -7.434 -12.308 1.00 0.00 O ATOM 0 H SER A 16 12.651 -5.971 -10.251 1.00 0.00 H new ATOM 0 HA SER A 16 15.009 -7.578 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.105 -5.485 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.373 -6.668 -12.383 1.00 0.00 H new ATOM 0 HG SER A 16 13.344 -7.352 -13.277 1.00 0.00 H new ATOM 238 N THR A 17 15.487 -4.763 -8.874 1.00 0.00 N ATOM 239 CA THR A 17 16.506 -3.974 -8.192 1.00 0.00 C ATOM 240 C THR A 17 16.451 -4.168 -6.660 1.00 0.00 C ATOM 241 O THR A 17 17.141 -3.455 -5.933 1.00 0.00 O ATOM 242 CB THR A 17 16.445 -2.526 -8.726 1.00 0.00 C ATOM 243 OG1 THR A 17 17.585 -1.779 -8.366 1.00 0.00 O ATOM 244 CG2 THR A 17 15.208 -1.748 -8.285 1.00 0.00 C ATOM 0 H THR A 17 14.544 -4.595 -8.524 1.00 0.00 H new ATOM 0 HA THR A 17 17.511 -4.326 -8.423 1.00 0.00 H new ATOM 0 HB THR A 17 16.399 -2.650 -9.808 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.868 -2.030 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.243 -0.742 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.312 -2.257 -8.640 1.00 0.00 H new ATOM 0 HG23 THR A 17 15.184 -1.688 -7.197 1.00 0.00 H new ATOM 252 N TYR A 18 15.694 -5.144 -6.137 1.00 0.00 N ATOM 253 CA TYR A 18 15.720 -5.490 -4.714 1.00 0.00 C ATOM 254 C TYR A 18 17.040 -6.160 -4.318 1.00 0.00 C ATOM 255 O TYR A 18 17.761 -6.735 -5.147 1.00 0.00 O ATOM 256 CB TYR A 18 14.534 -6.406 -4.363 1.00 0.00 C ATOM 257 CG TYR A 18 13.154 -5.768 -4.329 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.972 -4.381 -4.501 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.029 -6.583 -4.100 1.00 0.00 C ATOM 260 CE1 TYR A 18 11.689 -3.821 -4.441 1.00 0.00 C ATOM 261 CE2 TYR A 18 10.733 -6.034 -4.088 1.00 0.00 C ATOM 262 CZ TYR A 18 10.564 -4.637 -4.226 1.00 0.00 C ATOM 263 OH TYR A 18 9.336 -4.062 -4.103 1.00 0.00 O ATOM 0 H TYR A 18 15.050 -5.712 -6.688 1.00 0.00 H new ATOM 0 HA TYR A 18 15.635 -4.562 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.512 -7.223 -5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 18 14.726 -6.849 -3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.827 -3.746 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.162 -7.641 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.563 -2.755 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.872 -6.676 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 18 9.431 -3.167 -3.716 1.00 0.00 H new ATOM 273 N GLN A 19 17.340 -6.127 -3.022 1.00 0.00 N ATOM 274 CA GLN A 19 18.396 -6.924 -2.408 1.00 0.00 C ATOM 275 C GLN A 19 17.816 -8.306 -2.141 1.00 0.00 C ATOM 276 O GLN A 19 16.687 -8.404 -1.677 1.00 0.00 O ATOM 277 CB GLN A 19 18.863 -6.264 -1.100 1.00 0.00 C ATOM 278 CG GLN A 19 19.457 -4.868 -1.339 1.00 0.00 C ATOM 279 CD GLN A 19 20.106 -4.301 -0.077 1.00 0.00 C ATOM 280 OE1 GLN A 19 21.199 -4.714 0.312 1.00 0.00 O ATOM 281 NE2 GLN A 19 19.462 -3.354 0.580 1.00 0.00 N ATOM 0 H GLN A 19 16.845 -5.533 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 19 19.264 -6.997 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.021 -6.187 -0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 19 19.609 -6.898 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 19 20.198 -4.921 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.672 -4.193 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.558 -3.024 0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.869 -2.952 1.425 1.00 0.00 H new ATOM 290 N TYR A 20 18.540 -9.376 -2.455 1.00 0.00 N ATOM 291 CA TYR A 20 18.262 -10.674 -1.863 1.00 0.00 C ATOM 292 C TYR A 20 18.782 -10.691 -0.424 1.00 0.00 C ATOM 293 O TYR A 20 19.646 -9.892 -0.052 1.00 0.00 O ATOM 294 CB TYR A 20 18.972 -11.731 -2.708 1.00 0.00 C ATOM 295 CG TYR A 20 18.673 -13.175 -2.337 1.00 0.00 C ATOM 296 CD1 TYR A 20 17.355 -13.660 -2.433 1.00 0.00 C ATOM 297 CD2 TYR A 20 19.703 -14.045 -1.924 1.00 0.00 C ATOM 298 CE1 TYR A 20 17.078 -15.019 -2.215 1.00 0.00 C ATOM 299 CE2 TYR A 20 19.433 -15.403 -1.687 1.00 0.00 C ATOM 300 CZ TYR A 20 18.122 -15.903 -1.868 1.00 0.00 C ATOM 301 OH TYR A 20 17.850 -17.228 -1.729 1.00 0.00 O ATOM 0 H TYR A 20 19.319 -9.367 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 20 17.192 -10.879 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.700 -11.579 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 20 20.047 -11.570 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.551 -12.981 -2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 20 20.705 -13.665 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 20 16.067 -15.387 -2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 20 20.225 -16.064 -1.367 1.00 0.00 H new ATOM 0 HH TYR A 20 18.671 -17.707 -1.489 1.00 0.00 H new ATOM 311 N ASP A 21 18.344 -11.665 0.366 1.00 0.00 N ATOM 312 CA ASP A 21 19.037 -12.072 1.574 1.00 0.00 C ATOM 313 C ASP A 21 18.923 -13.570 1.721 1.00 0.00 C ATOM 314 O ASP A 21 17.846 -14.076 2.033 1.00 0.00 O ATOM 315 CB ASP A 21 18.486 -11.386 2.829 1.00 0.00 C ATOM 316 CG ASP A 21 19.660 -10.957 3.699 1.00 0.00 C ATOM 317 OD1 ASP A 21 20.464 -11.839 4.078 1.00 0.00 O ATOM 318 OD2 ASP A 21 19.829 -9.734 3.929 1.00 0.00 O ATOM 0 H ASP A 21 17.492 -12.195 0.182 1.00 0.00 H new ATOM 0 HA ASP A 21 20.080 -11.770 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.882 -10.521 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.836 -12.067 3.379 1.00 0.00 H new ATOM 323 N GLU A 22 20.020 -14.294 1.519 1.00 0.00 N ATOM 324 CA GLU A 22 20.071 -15.738 1.741 1.00 0.00 C ATOM 325 C GLU A 22 19.746 -16.139 3.190 1.00 0.00 C ATOM 326 O GLU A 22 19.407 -17.295 3.444 1.00 0.00 O ATOM 327 CB GLU A 22 21.450 -16.298 1.393 1.00 0.00 C ATOM 328 CG GLU A 22 22.611 -15.439 1.890 1.00 0.00 C ATOM 329 CD GLU A 22 23.895 -16.253 2.016 1.00 0.00 C ATOM 330 OE1 GLU A 22 23.972 -17.072 2.960 1.00 0.00 O ATOM 331 OE2 GLU A 22 24.806 -16.061 1.176 1.00 0.00 O ATOM 0 H GLU A 22 20.902 -13.896 1.196 1.00 0.00 H new ATOM 0 HA GLU A 22 19.307 -16.158 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 22 21.543 -17.298 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.526 -16.403 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.771 -14.609 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.357 -15.006 2.858 1.00 0.00 H new ATOM 338 N THR A 23 19.857 -15.210 4.142 1.00 0.00 N ATOM 339 CA THR A 23 19.578 -15.463 5.558 1.00 0.00 C ATOM 340 C THR A 23 18.158 -16.029 5.740 1.00 0.00 C ATOM 341 O THR A 23 17.938 -16.919 6.567 1.00 0.00 O ATOM 342 CB THR A 23 19.845 -14.180 6.374 1.00 0.00 C ATOM 343 OG1 THR A 23 20.155 -14.476 7.720 1.00 0.00 O ATOM 344 CG2 THR A 23 18.690 -13.176 6.353 1.00 0.00 C ATOM 0 H THR A 23 20.146 -14.251 3.950 1.00 0.00 H new ATOM 0 HA THR A 23 20.251 -16.229 5.943 1.00 0.00 H new ATOM 0 HB THR A 23 20.698 -13.716 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.320 -13.643 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 23 18.956 -12.303 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.494 -12.868 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 23 17.796 -13.641 6.769 1.00 0.00 H new ATOM 352 N SER A 24 17.218 -15.558 4.917 1.00 0.00 N ATOM 353 CA SER A 24 15.850 -16.048 4.840 1.00 0.00 C ATOM 354 C SER A 24 15.588 -16.700 3.489 1.00 0.00 C ATOM 355 O SER A 24 14.752 -17.597 3.406 1.00 0.00 O ATOM 356 CB SER A 24 14.876 -14.895 5.090 1.00 0.00 C ATOM 357 OG SER A 24 15.222 -14.229 6.288 1.00 0.00 O ATOM 0 H SER A 24 17.401 -14.796 4.264 1.00 0.00 H new ATOM 0 HA SER A 24 15.699 -16.806 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.902 -14.196 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.857 -15.275 5.156 1.00 0.00 H new ATOM 0 HG SER A 24 14.597 -13.490 6.444 1.00 0.00 H new ATOM 363 N GLY A 25 16.297 -16.269 2.444 1.00 0.00 N ATOM 364 CA GLY A 25 16.065 -16.694 1.076 1.00 0.00 C ATOM 365 C GLY A 25 15.006 -15.810 0.418 1.00 0.00 C ATOM 366 O GLY A 25 14.288 -16.264 -0.469 1.00 0.00 O ATOM 0 H GLY A 25 17.063 -15.601 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.995 -16.642 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.740 -17.734 1.061 1.00 0.00 H new ATOM 370 N TYR A 26 14.847 -14.577 0.902 1.00 0.00 N ATOM 371 CA TYR A 26 13.778 -13.646 0.551 1.00 0.00 C ATOM 372 C TYR A 26 14.421 -12.418 -0.090 1.00 0.00 C ATOM 373 O TYR A 26 15.649 -12.327 -0.139 1.00 0.00 O ATOM 374 CB TYR A 26 12.957 -13.309 1.815 1.00 0.00 C ATOM 375 CG TYR A 26 11.858 -14.318 2.120 1.00 0.00 C ATOM 376 CD1 TYR A 26 12.154 -15.687 2.279 1.00 0.00 C ATOM 377 CD2 TYR A 26 10.517 -13.897 2.183 1.00 0.00 C ATOM 378 CE1 TYR A 26 11.130 -16.640 2.406 1.00 0.00 C ATOM 379 CE2 TYR A 26 9.488 -14.842 2.336 1.00 0.00 C ATOM 380 CZ TYR A 26 9.787 -16.217 2.398 1.00 0.00 C ATOM 381 OH TYR A 26 8.783 -17.134 2.386 1.00 0.00 O ATOM 0 H TYR A 26 15.495 -14.183 1.584 1.00 0.00 H new ATOM 0 HA TYR A 26 13.080 -14.078 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.631 -13.250 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.509 -12.323 1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.185 -16.008 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.278 -12.846 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.371 -17.688 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.462 -14.512 2.406 1.00 0.00 H new ATOM 0 HH TYR A 26 8.197 -16.968 1.618 1.00 0.00 H new ATOM 391 N TYR A 27 13.618 -11.473 -0.579 1.00 0.00 N ATOM 392 CA TYR A 27 14.122 -10.197 -1.070 1.00 0.00 C ATOM 393 C TYR A 27 13.695 -9.093 -0.115 1.00 0.00 C ATOM 394 O TYR A 27 12.638 -9.186 0.506 1.00 0.00 O ATOM 395 CB TYR A 27 13.618 -9.921 -2.487 1.00 0.00 C ATOM 396 CG TYR A 27 14.132 -10.910 -3.514 1.00 0.00 C ATOM 397 CD1 TYR A 27 15.423 -10.756 -4.051 1.00 0.00 C ATOM 398 CD2 TYR A 27 13.340 -12.004 -3.901 1.00 0.00 C ATOM 399 CE1 TYR A 27 15.944 -11.702 -4.951 1.00 0.00 C ATOM 400 CE2 TYR A 27 13.834 -12.935 -4.831 1.00 0.00 C ATOM 401 CZ TYR A 27 15.139 -12.798 -5.353 1.00 0.00 C ATOM 402 OH TYR A 27 15.595 -13.744 -6.221 1.00 0.00 O ATOM 0 H TYR A 27 12.605 -11.573 -0.644 1.00 0.00 H new ATOM 0 HA TYR A 27 15.211 -10.232 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.528 -9.942 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.917 -8.915 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 27 16.020 -9.902 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.352 -12.130 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.949 -11.595 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.212 -13.759 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 27 14.896 -14.414 -6.372 1.00 0.00 H new ATOM 412 N TYR A 28 14.494 -8.038 -0.043 1.00 0.00 N ATOM 413 CA TYR A 28 14.324 -6.856 0.773 1.00 0.00 C ATOM 414 C TYR A 28 14.215 -5.656 -0.162 1.00 0.00 C ATOM 415 O TYR A 28 14.956 -5.549 -1.146 1.00 0.00 O ATOM 416 CB TYR A 28 15.528 -6.729 1.709 1.00 0.00 C ATOM 417 CG TYR A 28 15.594 -5.420 2.468 1.00 0.00 C ATOM 418 CD1 TYR A 28 14.599 -5.081 3.403 1.00 0.00 C ATOM 419 CD2 TYR A 28 16.651 -4.530 2.217 1.00 0.00 C ATOM 420 CE1 TYR A 28 14.659 -3.853 4.087 1.00 0.00 C ATOM 421 CE2 TYR A 28 16.706 -3.292 2.873 1.00 0.00 C ATOM 422 CZ TYR A 28 15.710 -2.947 3.809 1.00 0.00 C ATOM 423 OH TYR A 28 15.787 -1.737 4.427 1.00 0.00 O ATOM 0 H TYR A 28 15.346 -7.988 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 28 13.424 -6.913 1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.504 -7.550 2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.441 -6.843 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.786 -5.766 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.426 -4.801 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.907 -3.603 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.511 -2.603 2.661 1.00 0.00 H new ATOM 0 HH TYR A 28 16.578 -1.256 4.107 1.00 0.00 H new ATOM 433 N ASP A 29 13.285 -4.762 0.161 1.00 0.00 N ATOM 434 CA ASP A 29 12.922 -3.582 -0.613 1.00 0.00 C ATOM 435 C ASP A 29 13.433 -2.306 0.050 1.00 0.00 C ATOM 436 O ASP A 29 12.687 -1.687 0.809 1.00 0.00 O ATOM 437 CB ASP A 29 11.406 -3.485 -0.808 1.00 0.00 C ATOM 438 CG ASP A 29 11.016 -2.218 -1.583 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.891 -1.655 -2.283 1.00 0.00 O ATOM 440 OD2 ASP A 29 9.837 -1.796 -1.463 1.00 0.00 O ATOM 0 H ASP A 29 12.736 -4.847 1.016 1.00 0.00 H new ATOM 0 HA ASP A 29 13.395 -3.686 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.051 -4.365 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.913 -3.484 0.164 1.00 0.00 H new ATOM 445 N PRO A 30 14.676 -1.864 -0.191 1.00 0.00 N ATOM 446 CA PRO A 30 15.180 -0.625 0.391 1.00 0.00 C ATOM 447 C PRO A 30 14.382 0.623 -0.020 1.00 0.00 C ATOM 448 O PRO A 30 14.516 1.663 0.626 1.00 0.00 O ATOM 449 CB PRO A 30 16.635 -0.516 -0.058 1.00 0.00 C ATOM 450 CG PRO A 30 16.747 -1.435 -1.274 1.00 0.00 C ATOM 451 CD PRO A 30 15.664 -2.489 -1.049 1.00 0.00 C ATOM 0 HA PRO A 30 15.080 -0.663 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.892 0.511 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.316 -0.826 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.584 -0.888 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.736 -1.888 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.220 -2.801 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 30 16.079 -3.382 -0.582 1.00 0.00 H new ATOM 459 N GLN A 31 13.530 0.548 -1.046 1.00 0.00 N ATOM 460 CA GLN A 31 12.674 1.655 -1.473 1.00 0.00 C ATOM 461 C GLN A 31 11.602 1.966 -0.423 1.00 0.00 C ATOM 462 O GLN A 31 10.971 3.027 -0.467 1.00 0.00 O ATOM 463 CB GLN A 31 11.985 1.272 -2.792 1.00 0.00 C ATOM 464 CG GLN A 31 11.782 2.422 -3.790 1.00 0.00 C ATOM 465 CD GLN A 31 11.655 1.900 -5.229 1.00 0.00 C ATOM 466 OE1 GLN A 31 11.204 0.789 -5.480 1.00 0.00 O ATOM 467 NE2 GLN A 31 12.057 2.660 -6.232 1.00 0.00 N ATOM 0 H GLN A 31 13.415 -0.294 -1.610 1.00 0.00 H new ATOM 0 HA GLN A 31 13.295 2.541 -1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.574 0.493 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.012 0.839 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.886 2.982 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.621 3.114 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.436 3.589 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.988 2.318 -7.190 1.00 0.00 H new ATOM 476 N THR A 32 11.372 1.041 0.508 1.00 0.00 N ATOM 477 CA THR A 32 10.442 1.176 1.608 1.00 0.00 C ATOM 478 C THR A 32 11.165 0.762 2.887 1.00 0.00 C ATOM 479 O THR A 32 11.393 1.581 3.783 1.00 0.00 O ATOM 480 CB THR A 32 9.179 0.339 1.333 1.00 0.00 C ATOM 481 OG1 THR A 32 9.499 -1.011 1.037 1.00 0.00 O ATOM 482 CG2 THR A 32 8.343 0.908 0.188 1.00 0.00 C ATOM 0 H THR A 32 11.854 0.142 0.509 1.00 0.00 H new ATOM 0 HA THR A 32 10.106 2.206 1.723 1.00 0.00 H new ATOM 0 HB THR A 32 8.592 0.381 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.352 -1.180 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.464 0.282 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.028 1.922 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.940 0.927 -0.724 1.00 0.00 H new ATOM 490 N GLY A 33 11.568 -0.504 2.939 1.00 0.00 N ATOM 491 CA GLY A 33 12.046 -1.222 4.106 1.00 0.00 C ATOM 492 C GLY A 33 11.247 -2.503 4.359 1.00 0.00 C ATOM 493 O GLY A 33 11.327 -3.050 5.463 1.00 0.00 O ATOM 0 H GLY A 33 11.567 -1.092 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.098 -1.472 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.981 -0.575 4.981 1.00 0.00 H new ATOM 497 N LEU A 34 10.428 -2.944 3.398 1.00 0.00 N ATOM 498 CA LEU A 34 9.637 -4.176 3.436 1.00 0.00 C ATOM 499 C LEU A 34 10.476 -5.351 2.911 1.00 0.00 C ATOM 500 O LEU A 34 11.583 -5.142 2.417 1.00 0.00 O ATOM 501 CB LEU A 34 8.397 -3.988 2.539 1.00 0.00 C ATOM 502 CG LEU A 34 7.465 -2.837 2.968 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.537 -2.476 1.803 1.00 0.00 C ATOM 504 CD2 LEU A 34 6.668 -3.196 4.231 1.00 0.00 C ATOM 0 H LEU A 34 10.293 -2.425 2.530 1.00 0.00 H new ATOM 0 HA LEU A 34 9.333 -4.390 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.728 -3.808 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.826 -4.917 2.531 1.00 0.00 H new ATOM 0 HG LEU A 34 8.072 -1.968 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.876 -1.662 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.134 -2.162 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.940 -3.346 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.022 -2.361 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.058 -4.078 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.357 -3.404 5.049 1.00 0.00 H new ATOM 516 N TYR A 35 9.934 -6.569 2.962 1.00 0.00 N ATOM 517 CA TYR A 35 10.452 -7.749 2.272 1.00 0.00 C ATOM 518 C TYR A 35 9.411 -8.252 1.256 1.00 0.00 C ATOM 519 O TYR A 35 8.251 -7.825 1.278 1.00 0.00 O ATOM 520 CB TYR A 35 10.836 -8.840 3.290 1.00 0.00 C ATOM 521 CG TYR A 35 12.165 -8.626 3.996 1.00 0.00 C ATOM 522 CD1 TYR A 35 12.267 -7.720 5.069 1.00 0.00 C ATOM 523 CD2 TYR A 35 13.296 -9.364 3.597 1.00 0.00 C ATOM 524 CE1 TYR A 35 13.506 -7.532 5.711 1.00 0.00 C ATOM 525 CE2 TYR A 35 14.536 -9.180 4.231 1.00 0.00 C ATOM 526 CZ TYR A 35 14.649 -8.243 5.282 1.00 0.00 C ATOM 527 OH TYR A 35 15.841 -8.005 5.892 1.00 0.00 O ATOM 0 H TYR A 35 9.093 -6.767 3.504 1.00 0.00 H new ATOM 0 HA TYR A 35 11.357 -7.485 1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.050 -8.906 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.866 -9.800 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.397 -7.171 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 35 13.209 -10.080 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.583 -6.840 6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 35 15.397 -9.751 3.917 1.00 0.00 H new ATOM 0 HH TYR A 35 16.533 -8.570 5.489 1.00 0.00 H new ATOM 537 N TYR A 36 9.818 -9.157 0.364 1.00 0.00 N ATOM 538 CA TYR A 36 9.041 -9.786 -0.705 1.00 0.00 C ATOM 539 C TYR A 36 9.519 -11.239 -0.860 1.00 0.00 C ATOM 540 O TYR A 36 10.670 -11.549 -0.535 1.00 0.00 O ATOM 541 CB TYR A 36 9.250 -8.972 -1.996 1.00 0.00 C ATOM 542 CG TYR A 36 8.835 -9.647 -3.294 1.00 0.00 C ATOM 543 CD1 TYR A 36 7.509 -9.583 -3.768 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.801 -10.351 -4.037 1.00 0.00 C ATOM 545 CE1 TYR A 36 7.170 -10.210 -4.986 1.00 0.00 C ATOM 546 CE2 TYR A 36 9.459 -11.000 -5.233 1.00 0.00 C ATOM 547 CZ TYR A 36 8.140 -10.926 -5.721 1.00 0.00 C ATOM 548 OH TYR A 36 7.810 -11.515 -6.902 1.00 0.00 O ATOM 0 H TYR A 36 10.780 -9.497 0.372 1.00 0.00 H new ATOM 0 HA TYR A 36 7.975 -9.800 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.696 -8.038 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 36 10.306 -8.711 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.756 -9.056 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.820 -10.392 -3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.159 -10.142 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.207 -11.556 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 36 8.597 -11.964 -7.275 1.00 0.00 H new ATOM 558 N ASP A 37 8.673 -12.122 -1.401 1.00 0.00 N ATOM 559 CA ASP A 37 9.028 -13.520 -1.702 1.00 0.00 C ATOM 560 C ASP A 37 8.698 -13.778 -3.177 1.00 0.00 C ATOM 561 O ASP A 37 7.639 -13.337 -3.630 1.00 0.00 O ATOM 562 CB ASP A 37 8.165 -14.408 -0.781 1.00 0.00 C ATOM 563 CG ASP A 37 8.573 -15.877 -0.639 1.00 0.00 C ATOM 564 OD1 ASP A 37 9.655 -16.285 -1.106 1.00 0.00 O ATOM 565 OD2 ASP A 37 7.787 -16.647 -0.040 1.00 0.00 O ATOM 0 H ASP A 37 7.711 -11.887 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 37 10.084 -13.733 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.163 -13.961 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.139 -14.377 -1.147 1.00 0.00 H new ATOM 570 N PRO A 38 9.493 -14.551 -3.939 1.00 0.00 N ATOM 571 CA PRO A 38 9.231 -14.734 -5.365 1.00 0.00 C ATOM 572 C PRO A 38 8.029 -15.632 -5.635 1.00 0.00 C ATOM 573 O PRO A 38 7.273 -15.365 -6.570 1.00 0.00 O ATOM 574 CB PRO A 38 10.512 -15.327 -5.961 1.00 0.00 C ATOM 575 CG PRO A 38 11.169 -15.990 -4.758 1.00 0.00 C ATOM 576 CD PRO A 38 10.854 -14.986 -3.659 1.00 0.00 C ATOM 0 HA PRO A 38 8.976 -13.779 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.295 -16.046 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.149 -14.557 -6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.748 -16.974 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.242 -16.125 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.929 -15.442 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.550 -14.147 -3.677 1.00 0.00 H new ATOM 584 N ASN A 39 7.839 -16.704 -4.854 1.00 0.00 N ATOM 585 CA ASN A 39 6.733 -17.621 -5.077 1.00 0.00 C ATOM 586 C ASN A 39 5.415 -17.028 -4.598 1.00 0.00 C ATOM 587 O ASN A 39 4.371 -17.406 -5.132 1.00 0.00 O ATOM 588 CB ASN A 39 6.978 -18.929 -4.330 1.00 0.00 C ATOM 589 CG ASN A 39 7.839 -19.911 -5.103 1.00 0.00 C ATOM 590 OD1 ASN A 39 7.500 -20.319 -6.214 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.977 -20.294 -4.562 1.00 0.00 N ATOM 0 H ASN A 39 8.439 -16.950 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 39 6.671 -17.804 -6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.457 -18.710 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.019 -19.396 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.590 -20.936 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.246 -19.948 -3.641 1.00 0.00 H new ATOM 598 N SER A 40 5.479 -16.110 -3.635 1.00 0.00 N ATOM 599 CA SER A 40 4.342 -15.501 -2.963 1.00 0.00 C ATOM 600 C SER A 40 4.521 -13.988 -2.934 1.00 0.00 C ATOM 601 O SER A 40 5.117 -13.445 -2.009 1.00 0.00 O ATOM 602 CB SER A 40 4.196 -16.065 -1.546 1.00 0.00 C ATOM 603 OG SER A 40 3.922 -17.448 -1.591 1.00 0.00 O ATOM 0 H SER A 40 6.371 -15.756 -3.288 1.00 0.00 H new ATOM 0 HA SER A 40 3.429 -15.735 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.111 -15.888 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.393 -15.546 -1.022 1.00 0.00 H new ATOM 0 HG SER A 40 3.833 -17.794 -0.678 1.00 0.00 H new ATOM 609 N GLN A 41 3.948 -13.290 -3.914 1.00 0.00 N ATOM 610 CA GLN A 41 4.042 -11.837 -4.076 1.00 0.00 C ATOM 611 C GLN A 41 3.499 -11.034 -2.882 1.00 0.00 C ATOM 612 O GLN A 41 3.542 -9.804 -2.912 1.00 0.00 O ATOM 613 CB GLN A 41 3.313 -11.377 -5.349 1.00 0.00 C ATOM 614 CG GLN A 41 3.960 -11.824 -6.659 1.00 0.00 C ATOM 615 CD GLN A 41 3.625 -13.260 -7.017 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.465 -13.592 -7.280 1.00 0.00 O ATOM 617 NE2 GLN A 41 4.607 -14.140 -6.955 1.00 0.00 N ATOM 0 H GLN A 41 3.387 -13.734 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 41 5.110 -11.633 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.290 -11.752 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.254 -10.289 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.632 -11.167 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.042 -11.716 -6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.554 -13.832 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.418 -15.128 -7.127 1.00 0.00 H new ATOM 626 N TYR A 42 2.946 -11.685 -1.858 1.00 0.00 N ATOM 627 CA TYR A 42 2.559 -11.047 -0.619 1.00 0.00 C ATOM 628 C TYR A 42 3.800 -10.446 0.036 1.00 0.00 C ATOM 629 O TYR A 42 4.695 -11.170 0.482 1.00 0.00 O ATOM 630 CB TYR A 42 1.848 -12.041 0.302 1.00 0.00 C ATOM 631 CG TYR A 42 0.551 -12.559 -0.284 1.00 0.00 C ATOM 632 CD1 TYR A 42 -0.526 -11.671 -0.467 1.00 0.00 C ATOM 633 CD2 TYR A 42 0.425 -13.909 -0.665 1.00 0.00 C ATOM 634 CE1 TYR A 42 -1.734 -12.128 -1.016 1.00 0.00 C ATOM 635 CE2 TYR A 42 -0.786 -14.377 -1.204 1.00 0.00 C ATOM 636 CZ TYR A 42 -1.871 -13.487 -1.366 1.00 0.00 C ATOM 637 OH TYR A 42 -3.043 -13.928 -1.884 1.00 0.00 O ATOM 0 H TYR A 42 2.755 -12.687 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 42 1.850 -10.244 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.512 -12.882 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.643 -11.560 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.422 -10.634 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.259 -14.585 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.554 -11.442 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.886 -15.413 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.976 -14.887 -2.074 1.00 0.00 H new ATOM 647 N TYR A 43 3.858 -9.118 0.065 1.00 0.00 N ATOM 648 CA TYR A 43 4.904 -8.377 0.742 1.00 0.00 C ATOM 649 C TYR A 43 4.863 -8.687 2.226 1.00 0.00 C ATOM 650 O TYR A 43 3.803 -8.987 2.777 1.00 0.00 O ATOM 651 CB TYR A 43 4.719 -6.876 0.509 1.00 0.00 C ATOM 652 CG TYR A 43 5.299 -6.454 -0.820 1.00 0.00 C ATOM 653 CD1 TYR A 43 4.586 -6.679 -2.010 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.601 -5.921 -0.869 1.00 0.00 C ATOM 655 CE1 TYR A 43 5.150 -6.328 -3.245 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.167 -5.554 -2.099 1.00 0.00 C ATOM 657 CZ TYR A 43 6.432 -5.739 -3.293 1.00 0.00 C ATOM 658 OH TYR A 43 6.963 -5.370 -4.487 1.00 0.00 O ATOM 0 H TYR A 43 3.166 -8.522 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 43 5.874 -8.673 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.658 -6.628 0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.201 -6.319 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.602 -7.123 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.166 -5.794 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.604 -6.508 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.160 -5.132 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 43 7.879 -5.048 -4.352 1.00 0.00 H new ATOM 668 N TYR A 44 6.010 -8.553 2.879 1.00 0.00 N ATOM 669 CA TYR A 44 6.178 -8.814 4.288 1.00 0.00 C ATOM 670 C TYR A 44 6.639 -7.541 4.969 1.00 0.00 C ATOM 671 O TYR A 44 7.683 -6.966 4.659 1.00 0.00 O ATOM 672 CB TYR A 44 7.135 -9.976 4.503 1.00 0.00 C ATOM 673 CG TYR A 44 7.273 -10.312 5.968 1.00 0.00 C ATOM 674 CD1 TYR A 44 6.176 -10.843 6.676 1.00 0.00 C ATOM 675 CD2 TYR A 44 8.478 -10.038 6.635 1.00 0.00 C ATOM 676 CE1 TYR A 44 6.293 -11.117 8.048 1.00 0.00 C ATOM 677 CE2 TYR A 44 8.603 -10.315 8.002 1.00 0.00 C ATOM 678 CZ TYR A 44 7.510 -10.856 8.714 1.00 0.00 C ATOM 679 OH TYR A 44 7.611 -11.099 10.045 1.00 0.00 O ATOM 0 H TYR A 44 6.870 -8.250 2.422 1.00 0.00 H new ATOM 0 HA TYR A 44 5.230 -9.112 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.776 -10.850 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.113 -9.725 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.246 -11.039 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.310 -9.613 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.455 -11.526 8.592 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.534 -10.115 8.511 1.00 0.00 H new ATOM 0 HH TYR A 44 8.513 -10.868 10.352 1.00 0.00 H new ATOM 689 N ASN A 45 5.798 -7.073 5.876 1.00 0.00 N ATOM 690 CA ASN A 45 6.032 -5.939 6.735 1.00 0.00 C ATOM 691 C ASN A 45 6.555 -6.474 8.061 1.00 0.00 C ATOM 692 O ASN A 45 5.761 -6.741 8.967 1.00 0.00 O ATOM 693 CB ASN A 45 4.723 -5.169 6.895 1.00 0.00 C ATOM 694 CG ASN A 45 4.857 -4.112 7.970 1.00 0.00 C ATOM 695 OD1 ASN A 45 5.677 -3.197 7.897 1.00 0.00 O ATOM 696 ND2 ASN A 45 4.038 -4.226 8.994 1.00 0.00 N ATOM 0 H ASN A 45 4.886 -7.502 6.036 1.00 0.00 H new ATOM 0 HA ASN A 45 6.768 -5.249 6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.452 -4.701 5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.918 -5.858 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.073 -3.546 9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.368 -4.995 9.028 1.00 0.00 H new ATOM 703 N ALA A 46 7.878 -6.612 8.174 1.00 0.00 N ATOM 704 CA ALA A 46 8.575 -7.005 9.397 1.00 0.00 C ATOM 705 C ALA A 46 8.104 -6.205 10.612 1.00 0.00 C ATOM 706 O ALA A 46 7.854 -6.770 11.672 1.00 0.00 O ATOM 707 CB ALA A 46 10.077 -6.785 9.213 1.00 0.00 C ATOM 0 H ALA A 46 8.512 -6.448 7.392 1.00 0.00 H new ATOM 0 HA ALA A 46 8.353 -8.056 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.602 -7.077 10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.434 -7.389 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.268 -5.732 9.006 1.00 0.00 H new ATOM 713 N GLN A 47 7.914 -4.894 10.445 1.00 0.00 N ATOM 714 CA GLN A 47 7.559 -3.943 11.477 1.00 0.00 C ATOM 715 C GLN A 47 6.451 -4.469 12.393 1.00 0.00 C ATOM 716 O GLN A 47 6.585 -4.448 13.621 1.00 0.00 O ATOM 717 CB GLN A 47 7.096 -2.681 10.739 1.00 0.00 C ATOM 718 CG GLN A 47 7.414 -1.439 11.541 1.00 0.00 C ATOM 719 CD GLN A 47 6.826 -0.180 10.904 1.00 0.00 C ATOM 720 OE1 GLN A 47 7.506 0.829 10.766 1.00 0.00 O ATOM 721 NE2 GLN A 47 5.571 -0.196 10.487 1.00 0.00 N ATOM 0 H GLN A 47 8.012 -4.452 9.531 1.00 0.00 H new ATOM 0 HA GLN A 47 8.412 -3.749 12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.583 -2.625 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.023 -2.735 10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.023 -1.550 12.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.495 -1.330 11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.006 -1.037 10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.168 0.633 10.050 1.00 0.00 H new ATOM 730 N SER A 48 5.388 -4.982 11.776 1.00 0.00 N ATOM 731 CA SER A 48 4.196 -5.482 12.438 1.00 0.00 C ATOM 732 C SER A 48 4.001 -6.974 12.139 1.00 0.00 C ATOM 733 O SER A 48 2.909 -7.498 12.346 1.00 0.00 O ATOM 734 CB SER A 48 2.974 -4.629 12.037 1.00 0.00 C ATOM 735 OG SER A 48 3.314 -3.291 11.676 1.00 0.00 O ATOM 0 H SER A 48 5.337 -5.061 10.760 1.00 0.00 H new ATOM 0 HA SER A 48 4.312 -5.392 13.518 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.466 -5.106 11.199 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.268 -4.606 12.867 1.00 0.00 H new ATOM 0 HG SER A 48 2.501 -2.802 11.431 1.00 0.00 H new ATOM 741 N GLN A 49 5.027 -7.630 11.582 1.00 0.00 N ATOM 742 CA GLN A 49 5.083 -9.017 11.124 1.00 0.00 C ATOM 743 C GLN A 49 3.838 -9.430 10.329 1.00 0.00 C ATOM 744 O GLN A 49 3.245 -10.479 10.581 1.00 0.00 O ATOM 745 CB GLN A 49 5.455 -9.971 12.281 1.00 0.00 C ATOM 746 CG GLN A 49 6.798 -9.587 12.925 1.00 0.00 C ATOM 747 CD GLN A 49 7.472 -10.749 13.655 1.00 0.00 C ATOM 748 OE1 GLN A 49 8.121 -11.599 13.045 1.00 0.00 O ATOM 749 NE2 GLN A 49 7.391 -10.809 14.973 1.00 0.00 N ATOM 0 H GLN A 49 5.918 -7.157 11.428 1.00 0.00 H new ATOM 0 HA GLN A 49 5.894 -9.100 10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.670 -9.950 13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.510 -10.993 11.907 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.470 -9.213 12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.636 -8.770 13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.855 -10.107 15.483 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.865 -11.557 15.480 1.00 0.00 H new ATOM 758 N GLN A 50 3.403 -8.581 9.395 1.00 0.00 N ATOM 759 CA GLN A 50 2.159 -8.701 8.664 1.00 0.00 C ATOM 760 C GLN A 50 2.436 -8.876 7.181 1.00 0.00 C ATOM 761 O GLN A 50 3.336 -8.237 6.637 1.00 0.00 O ATOM 762 CB GLN A 50 1.318 -7.443 8.946 1.00 0.00 C ATOM 763 CG GLN A 50 -0.112 -7.736 9.402 1.00 0.00 C ATOM 764 CD GLN A 50 -0.234 -8.792 10.504 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.156 -9.595 10.507 1.00 0.00 O ATOM 766 NE2 GLN A 50 0.685 -8.863 11.452 1.00 0.00 N ATOM 0 H GLN A 50 3.939 -7.757 9.122 1.00 0.00 H new ATOM 0 HA GLN A 50 1.604 -9.581 8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.817 -6.850 9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.282 -6.833 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.562 -6.809 9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.693 -8.063 8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.460 -8.200 11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.619 -9.581 12.173 1.00 0.00 H new ATOM 775 N TYR A 51 1.616 -9.688 6.527 1.00 0.00 N ATOM 776 CA TYR A 51 1.687 -9.913 5.093 1.00 0.00 C ATOM 777 C TYR A 51 0.620 -9.132 4.349 1.00 0.00 C ATOM 778 O TYR A 51 -0.563 -9.160 4.707 1.00 0.00 O ATOM 779 CB TYR A 51 1.437 -11.341 4.730 1.00 0.00 C ATOM 780 CG TYR A 51 2.584 -12.282 4.978 1.00 0.00 C ATOM 781 CD1 TYR A 51 2.768 -12.879 6.238 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.418 -12.621 3.902 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.731 -13.885 6.401 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.359 -13.650 4.046 1.00 0.00 C ATOM 785 CZ TYR A 51 4.508 -14.296 5.293 1.00 0.00 C ATOM 786 OH TYR A 51 5.398 -15.314 5.418 1.00 0.00 O ATOM 0 H TYR A 51 0.873 -10.215 6.986 1.00 0.00 H new ATOM 0 HA TYR A 51 2.694 -9.600 4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.572 -11.694 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.173 -11.388 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.168 -12.563 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.335 -12.090 2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.879 -14.344 7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.968 -13.948 3.206 1.00 0.00 H new ATOM 0 HH TYR A 51 5.845 -15.465 4.559 1.00 0.00 H new ATOM 796 N LEU A 52 1.051 -8.458 3.295 1.00 0.00 N ATOM 797 CA LEU A 52 0.342 -7.413 2.584 1.00 0.00 C ATOM 798 C LEU A 52 0.496 -7.650 1.080 1.00 0.00 C ATOM 799 O LEU A 52 1.115 -8.631 0.675 1.00 0.00 O ATOM 800 CB LEU A 52 0.945 -6.076 3.012 1.00 0.00 C ATOM 801 CG LEU A 52 0.926 -5.741 4.527 1.00 0.00 C ATOM 802 CD1 LEU A 52 0.569 -4.263 4.661 1.00 0.00 C ATOM 803 CD2 LEU A 52 -0.013 -6.402 5.559 1.00 0.00 C ATOM 0 H LEU A 52 1.968 -8.641 2.888 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.724 -7.412 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.981 -6.049 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.416 -5.283 2.484 1.00 0.00 H new ATOM 0 HG LEU A 52 1.912 -6.126 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.546 -3.989 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.317 -3.660 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.410 -4.084 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.181 -5.985 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.050 -6.211 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.166 -7.477 5.577 1.00 0.00 H new ATOM 815 N TYR A 53 -0.045 -6.778 0.235 1.00 0.00 N ATOM 816 CA TYR A 53 0.149 -6.809 -1.210 1.00 0.00 C ATOM 817 C TYR A 53 0.439 -5.397 -1.708 1.00 0.00 C ATOM 818 O TYR A 53 0.219 -4.417 -0.991 1.00 0.00 O ATOM 819 CB TYR A 53 -1.063 -7.440 -1.925 1.00 0.00 C ATOM 820 CG TYR A 53 -2.384 -6.711 -1.748 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.078 -6.838 -0.533 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.914 -5.896 -2.772 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.268 -6.132 -0.320 1.00 0.00 C ATOM 824 CE2 TYR A 53 -4.131 -5.210 -2.571 1.00 0.00 C ATOM 825 CZ TYR A 53 -4.809 -5.325 -1.334 1.00 0.00 C ATOM 826 OH TYR A 53 -5.991 -4.693 -1.096 1.00 0.00 O ATOM 0 H TYR A 53 -0.644 -6.013 0.543 1.00 0.00 H new ATOM 0 HA TYR A 53 1.005 -7.441 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.842 -7.500 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.182 -8.462 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.691 -7.484 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.388 -5.797 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.774 -6.209 0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.544 -4.599 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.246 -4.169 -1.884 1.00 0.00 H new ATOM 836 N TRP A 54 0.943 -5.312 -2.935 1.00 0.00 N ATOM 837 CA TRP A 54 1.167 -4.088 -3.681 1.00 0.00 C ATOM 838 C TRP A 54 0.167 -4.023 -4.803 1.00 0.00 C ATOM 839 O TRP A 54 -0.124 -5.012 -5.481 1.00 0.00 O ATOM 840 CB TRP A 54 2.613 -4.094 -4.214 1.00 0.00 C ATOM 841 CG TRP A 54 2.914 -3.115 -5.306 1.00 0.00 C ATOM 842 CD1 TRP A 54 2.873 -3.367 -6.633 1.00 0.00 C ATOM 843 CD2 TRP A 54 3.179 -1.691 -5.192 1.00 0.00 C ATOM 844 NE1 TRP A 54 3.060 -2.200 -7.340 1.00 0.00 N ATOM 845 CE2 TRP A 54 3.172 -1.116 -6.494 1.00 0.00 C ATOM 846 CE3 TRP A 54 3.342 -0.821 -4.103 1.00 0.00 C ATOM 847 CZ2 TRP A 54 3.244 0.271 -6.692 1.00 0.00 C ATOM 848 CZ3 TRP A 54 3.371 0.570 -4.275 1.00 0.00 C ATOM 849 CH2 TRP A 54 3.317 1.113 -5.570 1.00 0.00 C ATOM 0 H TRP A 54 1.219 -6.142 -3.460 1.00 0.00 H new ATOM 0 HA TRP A 54 1.037 -3.209 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.287 -3.897 -3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.841 -5.096 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.717 -4.340 -7.074 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.109 -2.144 -8.357 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.447 -1.232 -3.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.243 0.684 -7.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.435 1.221 -3.416 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.332 2.185 -5.703 1.00 0.00 H new ATOM 860 N ASP A 55 -0.354 -2.819 -4.966 1.00 0.00 N ATOM 861 CA ASP A 55 -1.440 -2.469 -5.811 1.00 0.00 C ATOM 862 C ASP A 55 -1.031 -1.220 -6.575 1.00 0.00 C ATOM 863 O ASP A 55 -1.465 -0.098 -6.305 1.00 0.00 O ATOM 864 CB ASP A 55 -2.690 -2.309 -4.956 1.00 0.00 C ATOM 865 CG ASP A 55 -2.763 -1.251 -3.893 1.00 0.00 C ATOM 866 OD1 ASP A 55 -1.732 -0.957 -3.276 1.00 0.00 O ATOM 867 OD2 ASP A 55 -3.900 -0.756 -3.686 1.00 0.00 O ATOM 0 H ASP A 55 0.013 -2.011 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.680 -3.235 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.524 -2.138 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.869 -3.267 -4.468 1.00 0.00 H new ATOM 872 N GLY A 56 -0.193 -1.427 -7.593 1.00 0.00 N ATOM 873 CA GLY A 56 0.324 -0.388 -8.476 1.00 0.00 C ATOM 874 C GLY A 56 -0.748 0.366 -9.266 1.00 0.00 C ATOM 875 O GLY A 56 -0.414 1.277 -10.022 1.00 0.00 O ATOM 0 H GLY A 56 0.154 -2.356 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.890 0.329 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.023 -0.841 -9.179 1.00 0.00 H new ATOM 879 N GLU A 57 -2.027 0.038 -9.072 1.00 0.00 N ATOM 880 CA GLU A 57 -3.164 0.753 -9.602 1.00 0.00 C ATOM 881 C GLU A 57 -3.225 2.091 -8.856 1.00 0.00 C ATOM 882 O GLU A 57 -3.003 3.159 -9.441 1.00 0.00 O ATOM 883 CB GLU A 57 -4.435 -0.090 -9.387 1.00 0.00 C ATOM 884 CG GLU A 57 -4.291 -1.565 -9.802 1.00 0.00 C ATOM 885 CD GLU A 57 -5.662 -2.200 -10.007 1.00 0.00 C ATOM 886 OE1 GLU A 57 -6.292 -1.895 -11.043 1.00 0.00 O ATOM 887 OE2 GLU A 57 -6.169 -2.926 -9.126 1.00 0.00 O ATOM 0 H GLU A 57 -2.298 -0.772 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.080 0.936 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.713 -0.046 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.253 0.356 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.710 -1.635 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.741 -2.112 -9.036 1.00 0.00 H new ATOM 894 N ARG A 58 -3.441 1.999 -7.538 1.00 0.00 N ATOM 895 CA ARG A 58 -3.425 3.086 -6.564 1.00 0.00 C ATOM 896 C ARG A 58 -2.003 3.569 -6.295 1.00 0.00 C ATOM 897 O ARG A 58 -1.824 4.717 -5.903 1.00 0.00 O ATOM 898 CB ARG A 58 -4.047 2.578 -5.247 1.00 0.00 C ATOM 899 CG ARG A 58 -5.549 2.274 -5.379 1.00 0.00 C ATOM 900 CD ARG A 58 -6.126 1.778 -4.043 1.00 0.00 C ATOM 901 NE ARG A 58 -7.586 1.965 -3.875 1.00 0.00 N ATOM 902 CZ ARG A 58 -8.296 1.633 -2.779 1.00 0.00 C ATOM 903 NH1 ARG A 58 -7.711 1.009 -1.759 1.00 0.00 N ATOM 904 NH2 ARG A 58 -9.581 1.938 -2.677 1.00 0.00 N ATOM 0 H ARG A 58 -3.645 1.101 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.997 3.923 -6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.525 1.676 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.899 3.326 -4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.079 3.171 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.705 1.520 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.898 0.717 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.614 2.295 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.097 2.380 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.718 0.779 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.255 0.761 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.050 2.433 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.102 1.678 -1.839 1.00 0.00 H new ATOM 918 N ARG A 59 -1.003 2.716 -6.547 1.00 0.00 N ATOM 919 CA ARG A 59 0.365 2.819 -6.052 1.00 0.00 C ATOM 920 C ARG A 59 0.350 2.890 -4.529 1.00 0.00 C ATOM 921 O ARG A 59 0.673 3.937 -3.966 1.00 0.00 O ATOM 922 CB ARG A 59 1.154 3.984 -6.673 1.00 0.00 C ATOM 923 CG ARG A 59 1.334 3.906 -8.191 1.00 0.00 C ATOM 924 CD ARG A 59 2.452 4.890 -8.551 1.00 0.00 C ATOM 925 NE ARG A 59 2.520 5.214 -9.979 1.00 0.00 N ATOM 926 CZ ARG A 59 1.732 6.071 -10.635 1.00 0.00 C ATOM 927 NH1 ARG A 59 0.658 6.597 -10.062 1.00 0.00 N ATOM 928 NH2 ARG A 59 2.034 6.416 -11.880 1.00 0.00 N ATOM 0 H ARG A 59 -1.139 1.893 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 59 0.897 1.921 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.646 4.917 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.138 4.026 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.595 2.893 -8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.409 4.166 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.308 5.811 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.408 4.470 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 59 3.239 4.739 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.419 6.349 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.071 7.249 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.863 6.028 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.437 7.070 -12.387 1.00 0.00 H new ATOM 942 N THR A 60 0.004 1.798 -3.847 1.00 0.00 N ATOM 943 CA THR A 60 0.175 1.739 -2.403 1.00 0.00 C ATOM 944 C THR A 60 0.579 0.319 -1.974 1.00 0.00 C ATOM 945 O THR A 60 0.878 -0.533 -2.809 1.00 0.00 O ATOM 946 CB THR A 60 -1.076 2.363 -1.747 1.00 0.00 C ATOM 947 OG1 THR A 60 -0.855 2.643 -0.379 1.00 0.00 O ATOM 948 CG2 THR A 60 -2.361 1.558 -1.900 1.00 0.00 C ATOM 0 H THR A 60 -0.390 0.956 -4.267 1.00 0.00 H new ATOM 0 HA THR A 60 1.009 2.340 -2.041 1.00 0.00 H new ATOM 0 HB THR A 60 -1.231 3.287 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.663 3.039 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.179 2.081 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.593 1.441 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.231 0.576 -1.446 1.00 0.00 H new ATOM 956 N TYR A 61 0.677 0.076 -0.669 1.00 0.00 N ATOM 957 CA TYR A 61 0.722 -1.268 -0.105 1.00 0.00 C ATOM 958 C TYR A 61 -0.460 -1.396 0.838 1.00 0.00 C ATOM 959 O TYR A 61 -0.668 -0.528 1.692 1.00 0.00 O ATOM 960 CB TYR A 61 2.022 -1.547 0.657 1.00 0.00 C ATOM 961 CG TYR A 61 3.301 -1.512 -0.162 1.00 0.00 C ATOM 962 CD1 TYR A 61 3.958 -0.291 -0.411 1.00 0.00 C ATOM 963 CD2 TYR A 61 3.854 -2.708 -0.653 1.00 0.00 C ATOM 964 CE1 TYR A 61 5.176 -0.273 -1.114 1.00 0.00 C ATOM 965 CE2 TYR A 61 5.080 -2.694 -1.345 1.00 0.00 C ATOM 966 CZ TYR A 61 5.769 -1.477 -1.555 1.00 0.00 C ATOM 967 OH TYR A 61 6.968 -1.432 -2.207 1.00 0.00 O ATOM 0 H TYR A 61 0.728 0.815 0.032 1.00 0.00 H new ATOM 0 HA TYR A 61 0.679 -1.994 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.111 -0.817 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.941 -2.528 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.525 0.634 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.335 -3.643 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.662 0.669 -1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.497 -3.618 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 61 7.693 -1.599 -1.570 1.00 0.00 H new ATOM 977 N VAL A 62 -1.244 -2.453 0.680 1.00 0.00 N ATOM 978 CA VAL A 62 -2.475 -2.724 1.415 1.00 0.00 C ATOM 979 C VAL A 62 -2.485 -4.093 2.076 1.00 0.00 C ATOM 980 O VAL A 62 -1.773 -4.994 1.635 1.00 0.00 O ATOM 981 CB VAL A 62 -3.737 -2.463 0.565 1.00 0.00 C ATOM 982 CG1 VAL A 62 -4.305 -1.079 0.883 1.00 0.00 C ATOM 983 CG2 VAL A 62 -3.457 -2.488 -0.951 1.00 0.00 C ATOM 0 H VAL A 62 -1.029 -3.183 0.001 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.501 -2.004 2.233 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.434 -3.263 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.195 -0.903 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.568 -1.028 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.558 -0.318 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.382 -2.298 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.726 -1.718 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.065 -3.465 -1.232 1.00 0.00 H new ATOM 993 N PRO A 63 -3.265 -4.272 3.153 1.00 0.00 N ATOM 994 CA PRO A 63 -3.199 -5.483 3.935 1.00 0.00 C ATOM 995 C PRO A 63 -3.984 -6.624 3.303 1.00 0.00 C ATOM 996 O PRO A 63 -5.149 -6.466 2.937 1.00 0.00 O ATOM 997 CB PRO A 63 -3.751 -5.117 5.302 1.00 0.00 C ATOM 998 CG PRO A 63 -4.743 -4.001 4.996 1.00 0.00 C ATOM 999 CD PRO A 63 -4.138 -3.296 3.789 1.00 0.00 C ATOM 0 HA PRO A 63 -2.174 -5.849 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.238 -5.967 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.963 -4.781 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.734 -4.397 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.854 -3.322 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.915 -2.961 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.579 -2.411 4.093 1.00 0.00 H new ATOM 1007 N ALA A 64 -3.350 -7.792 3.221 1.00 0.00 N ATOM 1008 CA ALA A 64 -3.877 -8.955 2.513 1.00 0.00 C ATOM 1009 C ALA A 64 -4.943 -9.721 3.318 1.00 0.00 C ATOM 1010 O ALA A 64 -4.856 -10.941 3.468 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.703 -9.849 2.096 1.00 0.00 C ATOM 0 H ALA A 64 -2.441 -7.959 3.652 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.403 -8.611 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.082 -10.723 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.034 -9.289 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.158 -10.171 2.983 1.00 0.00 H new ATOM 1017 N LEU A 65 -5.927 -9.005 3.867 1.00 0.00 N ATOM 1018 CA LEU A 65 -6.946 -9.549 4.763 1.00 0.00 C ATOM 1019 C LEU A 65 -7.899 -10.464 4.002 1.00 0.00 C ATOM 1020 O LEU A 65 -8.151 -11.587 4.425 1.00 0.00 O ATOM 1021 CB LEU A 65 -7.749 -8.415 5.426 1.00 0.00 C ATOM 1022 CG LEU A 65 -6.897 -7.364 6.153 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -7.805 -6.304 6.775 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -5.980 -7.981 7.215 1.00 0.00 C ATOM 0 H LEU A 65 -6.039 -8.006 3.695 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.436 -10.125 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.344 -7.915 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.448 -8.852 6.139 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.246 -6.899 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.197 -5.560 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.386 -5.818 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.481 -6.777 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.401 -7.194 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.584 -8.497 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.302 -8.692 6.742 1.00 0.00 H new ATOM 1036 N GLU A 66 -8.433 -9.973 2.884 1.00 0.00 N ATOM 1037 CA GLU A 66 -9.408 -10.669 2.053 1.00 0.00 C ATOM 1038 C GLU A 66 -9.035 -10.479 0.589 1.00 0.00 C ATOM 1039 O GLU A 66 -8.766 -11.465 -0.096 1.00 0.00 O ATOM 1040 CB GLU A 66 -10.850 -10.232 2.368 1.00 0.00 C ATOM 1041 CG GLU A 66 -11.118 -8.718 2.509 1.00 0.00 C ATOM 1042 CD GLU A 66 -12.569 -8.443 2.921 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -13.072 -9.076 3.882 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -13.239 -7.600 2.285 1.00 0.00 O ATOM 0 H GLU A 66 -8.190 -9.051 2.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.380 -11.735 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.498 -10.617 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.154 -10.716 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.441 -8.295 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.906 -8.220 1.563 1.00 0.00 H new ATOM 1051 N GLN A 67 -8.924 -9.220 0.150 1.00 0.00 N ATOM 1052 CA GLN A 67 -8.576 -8.807 -1.207 1.00 0.00 C ATOM 1053 C GLN A 67 -9.689 -9.254 -2.156 1.00 0.00 C ATOM 1054 O GLN A 67 -9.764 -10.416 -2.558 1.00 0.00 O ATOM 1055 CB GLN A 67 -7.159 -9.299 -1.589 1.00 0.00 C ATOM 1056 CG GLN A 67 -6.286 -8.191 -2.184 1.00 0.00 C ATOM 1057 CD GLN A 67 -6.591 -7.825 -3.636 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -7.686 -8.046 -4.144 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -5.620 -7.263 -4.337 1.00 0.00 N ATOM 0 H GLN A 67 -9.084 -8.423 0.767 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.515 -7.721 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.669 -9.705 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.244 -10.114 -2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.396 -7.297 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.242 -8.498 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.715 -7.085 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.777 -7.008 -5.312 1.00 0.00 H new ATOM 1068 N SER A 68 -10.652 -8.378 -2.426 1.00 0.00 N ATOM 1069 CA SER A 68 -11.845 -8.708 -3.195 1.00 0.00 C ATOM 1070 C SER A 68 -12.378 -7.428 -3.815 1.00 0.00 C ATOM 1071 O SER A 68 -12.881 -6.558 -3.096 1.00 0.00 O ATOM 1072 CB SER A 68 -12.881 -9.366 -2.278 1.00 0.00 C ATOM 1073 OG SER A 68 -12.414 -10.642 -1.876 1.00 0.00 O ATOM 0 H SER A 68 -10.625 -7.408 -2.113 1.00 0.00 H new ATOM 0 HA SER A 68 -11.614 -9.417 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.058 -8.740 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.834 -9.463 -2.799 1.00 0.00 H new ATOM 0 HG SER A 68 -11.495 -10.768 -2.192 1.00 0.00 H new ATOM 1079 N ALA A 69 -12.240 -7.317 -5.139 1.00 0.00 N ATOM 1080 CA ALA A 69 -12.481 -6.108 -5.910 1.00 0.00 C ATOM 1081 C ALA A 69 -11.804 -4.900 -5.262 1.00 0.00 C ATOM 1082 O ALA A 69 -10.777 -5.031 -4.586 1.00 0.00 O ATOM 1083 CB ALA A 69 -13.982 -5.956 -6.188 1.00 0.00 C ATOM 0 H ALA A 69 -11.945 -8.102 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.012 -6.181 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.155 -5.048 -6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.337 -6.818 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.522 -5.893 -5.243 1.00 0.00 H new ATOM 1089 N ASP A 70 -12.299 -3.706 -5.564 1.00 0.00 N ATOM 1090 CA ASP A 70 -11.793 -2.455 -5.024 1.00 0.00 C ATOM 1091 C ASP A 70 -12.906 -1.403 -5.134 1.00 0.00 C ATOM 1092 O ASP A 70 -14.024 -1.732 -5.553 1.00 0.00 O ATOM 1093 CB ASP A 70 -10.542 -2.059 -5.812 1.00 0.00 C ATOM 1094 CG ASP A 70 -9.774 -0.894 -5.199 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -9.561 -0.904 -3.968 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -9.411 0.021 -5.976 1.00 0.00 O ATOM 0 H ASP A 70 -13.081 -3.580 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.513 -2.546 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.880 -2.922 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.832 -1.796 -6.829 1.00 0.00 H new ATOM 1101 N GLY A 71 -12.661 -0.149 -4.762 1.00 0.00 N ATOM 1102 CA GLY A 71 -13.599 0.949 -4.955 1.00 0.00 C ATOM 1103 C GLY A 71 -12.943 2.276 -4.591 1.00 0.00 C ATOM 1104 O GLY A 71 -11.761 2.314 -4.268 1.00 0.00 O ATOM 0 H GLY A 71 -11.791 0.135 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.933 0.973 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.484 0.792 -4.339 1.00 0.00 H new ATOM 1108 N HIS A 72 -13.722 3.358 -4.545 1.00 0.00 N ATOM 1109 CA HIS A 72 -13.303 4.585 -3.863 1.00 0.00 C ATOM 1110 C HIS A 72 -13.155 4.373 -2.343 1.00 0.00 C ATOM 1111 O HIS A 72 -12.527 5.185 -1.664 1.00 0.00 O ATOM 1112 CB HIS A 72 -14.324 5.701 -4.133 1.00 0.00 C ATOM 1113 CG HIS A 72 -14.039 6.525 -5.367 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -14.599 6.382 -6.619 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -13.234 7.631 -5.404 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -14.176 7.406 -7.375 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -13.320 8.181 -6.688 1.00 0.00 N ATOM 0 H HIS A 72 -14.647 3.410 -4.972 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.327 4.869 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.314 5.255 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.356 6.364 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.638 8.012 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.481 7.583 -8.396 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.830 9.006 -7.034 1.00 0.00 H new ATOM 1125 N LYS A 73 -13.774 3.328 -1.779 1.00 0.00 N ATOM 1126 CA LYS A 73 -13.729 3.015 -0.352 1.00 0.00 C ATOM 1127 C LYS A 73 -12.606 2.023 -0.041 1.00 0.00 C ATOM 1128 O LYS A 73 -11.877 1.589 -0.933 1.00 0.00 O ATOM 1129 CB LYS A 73 -15.104 2.525 0.139 1.00 0.00 C ATOM 1130 CG LYS A 73 -15.681 1.316 -0.612 1.00 0.00 C ATOM 1131 CD LYS A 73 -16.809 0.708 0.235 1.00 0.00 C ATOM 1132 CE LYS A 73 -17.698 -0.273 -0.529 1.00 0.00 C ATOM 1133 NZ LYS A 73 -16.984 -1.455 -1.043 1.00 0.00 N ATOM 0 H LYS A 73 -14.331 2.664 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.499 3.927 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.023 2.270 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.813 3.350 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.062 1.622 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.902 0.575 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.371 0.195 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.429 1.514 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.503 -0.605 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.163 0.250 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.652 -2.072 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.233 -1.151 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.562 -1.978 -0.249 1.00 0.00 H new ATOM 1147 N GLU A 74 -12.511 1.637 1.228 1.00 0.00 N ATOM 1148 CA GLU A 74 -11.729 0.507 1.702 1.00 0.00 C ATOM 1149 C GLU A 74 -12.653 -0.452 2.449 1.00 0.00 C ATOM 1150 O GLU A 74 -13.861 -0.218 2.569 1.00 0.00 O ATOM 1151 CB GLU A 74 -10.596 0.971 2.624 1.00 0.00 C ATOM 1152 CG GLU A 74 -9.647 2.014 2.029 1.00 0.00 C ATOM 1153 CD GLU A 74 -8.331 2.016 2.809 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -7.654 0.959 2.852 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -7.955 3.087 3.339 1.00 0.00 O ATOM 0 H GLU A 74 -12.997 2.124 1.981 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.278 0.002 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.036 1.382 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.011 0.100 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.458 1.791 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.106 3.002 2.068 1.00 0.00 H new ATOM 1162 N THR A 75 -12.077 -1.524 2.981 1.00 0.00 N ATOM 1163 CA THR A 75 -12.750 -2.559 3.740 1.00 0.00 C ATOM 1164 C THR A 75 -13.340 -2.032 5.059 1.00 0.00 C ATOM 1165 O THR A 75 -14.381 -2.525 5.507 1.00 0.00 O ATOM 1166 CB THR A 75 -11.727 -3.680 4.006 1.00 0.00 C ATOM 1167 OG1 THR A 75 -10.766 -3.799 2.960 1.00 0.00 O ATOM 1168 CG2 THR A 75 -12.430 -5.020 4.162 1.00 0.00 C ATOM 0 H THR A 75 -11.077 -1.699 2.887 1.00 0.00 H new ATOM 0 HA THR A 75 -13.597 -2.933 3.164 1.00 0.00 H new ATOM 0 HB THR A 75 -11.210 -3.409 4.926 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.138 -4.520 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.691 -5.799 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.125 -4.971 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.978 -5.252 3.249 1.00 0.00 H new ATOM 1176 N GLY A 76 -12.704 -1.032 5.675 1.00 0.00 N ATOM 1177 CA GLY A 76 -13.040 -0.527 6.997 1.00 0.00 C ATOM 1178 C GLY A 76 -12.433 0.856 7.208 1.00 0.00 C ATOM 1179 O GLY A 76 -11.365 0.987 7.811 1.00 0.00 O ATOM 0 H GLY A 76 -11.918 -0.541 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.123 -0.477 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.672 -1.213 7.760 1.00 0.00 H new ATOM 1183 N ALA A 77 -13.098 1.892 6.689 1.00 0.00 N ATOM 1184 CA ALA A 77 -12.712 3.299 6.829 1.00 0.00 C ATOM 1185 C ALA A 77 -13.981 4.169 6.966 1.00 0.00 C ATOM 1186 O ALA A 77 -14.589 4.538 5.952 1.00 0.00 O ATOM 1187 CB ALA A 77 -11.791 3.726 5.677 1.00 0.00 C ATOM 0 H ALA A 77 -13.949 1.770 6.141 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.129 3.442 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.516 4.774 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.891 3.112 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.311 3.596 4.728 1.00 0.00 H new ATOM 1193 N PRO A 78 -14.534 4.349 8.176 1.00 0.00 N ATOM 1194 CA PRO A 78 -15.791 5.059 8.407 1.00 0.00 C ATOM 1195 C PRO A 78 -15.666 6.603 8.374 1.00 0.00 C ATOM 1196 O PRO A 78 -15.728 7.227 9.431 1.00 0.00 O ATOM 1197 CB PRO A 78 -16.269 4.513 9.765 1.00 0.00 C ATOM 1198 CG PRO A 78 -14.970 4.258 10.521 1.00 0.00 C ATOM 1199 CD PRO A 78 -14.054 3.747 9.416 1.00 0.00 C ATOM 0 HA PRO A 78 -16.509 4.881 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.903 5.231 10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.852 3.599 9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.583 5.166 10.984 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.098 3.524 11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.018 4.027 9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.085 2.659 9.357 1.00 0.00 H new ATOM 1207 N SER A 79 -15.681 7.234 7.184 1.00 0.00 N ATOM 1208 CA SER A 79 -15.780 8.704 7.010 1.00 0.00 C ATOM 1209 C SER A 79 -14.543 9.408 7.577 1.00 0.00 C ATOM 1210 O SER A 79 -14.512 9.792 8.746 1.00 0.00 O ATOM 1211 CB SER A 79 -17.075 9.254 7.641 1.00 0.00 C ATOM 1212 OG SER A 79 -18.218 8.606 7.100 1.00 0.00 O ATOM 0 H SER A 79 -15.624 6.731 6.298 1.00 0.00 H new ATOM 0 HA SER A 79 -15.821 8.912 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.048 9.110 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.143 10.327 7.464 1.00 0.00 H new ATOM 0 HG SER A 79 -19.028 8.969 7.516 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.539 9.624 6.725 1.00 0.00 N ATOM 1219 CA LYS A 80 -12.347 10.386 7.086 1.00 0.00 C ATOM 1220 C LYS A 80 -11.994 11.478 6.090 1.00 0.00 C ATOM 1221 O LYS A 80 -11.324 12.427 6.496 1.00 0.00 O ATOM 1222 CB LYS A 80 -11.155 9.423 7.256 1.00 0.00 C ATOM 1223 CG LYS A 80 -10.860 9.069 8.720 1.00 0.00 C ATOM 1224 CD LYS A 80 -10.338 10.279 9.506 1.00 0.00 C ATOM 1225 CE LYS A 80 -9.576 9.814 10.750 1.00 0.00 C ATOM 1226 NZ LYS A 80 -8.791 10.909 11.345 1.00 0.00 N ATOM 0 H LYS A 80 -13.531 9.275 5.767 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.571 10.893 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.357 8.506 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.267 9.874 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.767 8.693 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.124 8.266 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.684 10.878 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.171 10.918 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.281 9.429 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.912 8.992 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.288 10.559 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.102 11.260 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.428 11.683 11.621 1.00 0.00 H new ATOM 1240 N GLU A 81 -12.350 11.348 4.806 1.00 0.00 N ATOM 1241 CA GLU A 81 -11.676 12.187 3.793 1.00 0.00 C ATOM 1242 C GLU A 81 -12.280 12.167 2.386 1.00 0.00 C ATOM 1243 O GLU A 81 -11.904 12.999 1.558 1.00 0.00 O ATOM 1244 CB GLU A 81 -10.190 11.784 3.683 1.00 0.00 C ATOM 1245 CG GLU A 81 -10.019 10.285 3.411 1.00 0.00 C ATOM 1246 CD GLU A 81 -8.570 9.952 3.097 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -8.113 10.305 1.991 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -7.894 9.299 3.925 1.00 0.00 O ATOM 0 H GLU A 81 -13.061 10.708 4.451 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.812 13.204 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.718 12.354 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.674 12.046 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.347 9.714 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.654 9.988 2.576 1.00 0.00 H new ATOM 1255 N GLY A 82 -13.171 11.220 2.089 1.00 0.00 N ATOM 1256 CA GLY A 82 -13.798 11.081 0.779 1.00 0.00 C ATOM 1257 C GLY A 82 -15.292 10.906 0.978 1.00 0.00 C ATOM 1258 O GLY A 82 -16.056 11.877 0.942 1.00 0.00 O ATOM 0 H GLY A 82 -13.480 10.519 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.598 11.961 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.383 10.223 0.249 1.00 0.00 H new ATOM 1262 N LYS A 83 -15.709 9.678 1.303 1.00 0.00 N ATOM 1263 CA LYS A 83 -17.103 9.361 1.621 1.00 0.00 C ATOM 1264 C LYS A 83 -17.642 10.123 2.825 1.00 0.00 C ATOM 1265 O LYS A 83 -18.843 10.064 3.075 1.00 0.00 O ATOM 1266 CB LYS A 83 -17.297 7.856 1.859 1.00 0.00 C ATOM 1267 CG LYS A 83 -16.494 7.291 3.044 1.00 0.00 C ATOM 1268 CD LYS A 83 -17.143 6.035 3.637 1.00 0.00 C ATOM 1269 CE LYS A 83 -17.218 4.903 2.609 1.00 0.00 C ATOM 1270 NZ LYS A 83 -18.070 3.794 3.083 1.00 0.00 N ATOM 0 H LYS A 83 -15.085 8.873 1.353 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.670 9.677 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.356 7.661 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.014 7.318 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.482 7.054 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.407 8.053 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.571 5.703 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.146 6.275 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.612 5.290 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.215 4.530 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.098 3.045 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.679 3.409 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.034 4.145 3.255 1.00 0.00 H new ATOM 1284 N GLU A 84 -16.799 10.816 3.596 1.00 0.00 N ATOM 1285 CA GLU A 84 -17.241 11.487 4.812 1.00 0.00 C ATOM 1286 C GLU A 84 -18.379 12.489 4.533 1.00 0.00 C ATOM 1287 O GLU A 84 -19.247 12.709 5.375 1.00 0.00 O ATOM 1288 CB GLU A 84 -16.080 12.179 5.529 1.00 0.00 C ATOM 1289 CG GLU A 84 -15.383 13.270 4.705 1.00 0.00 C ATOM 1290 CD GLU A 84 -14.479 14.164 5.550 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -14.741 14.342 6.763 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -13.537 14.736 4.966 1.00 0.00 O ATOM 0 H GLU A 84 -15.805 10.924 3.395 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.632 10.712 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.452 12.621 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.343 11.427 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.791 12.802 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.137 13.885 4.213 1.00 0.00 H new ATOM 1299 N LYS A 85 -18.406 13.063 3.325 1.00 0.00 N ATOM 1300 CA LYS A 85 -19.410 14.015 2.850 1.00 0.00 C ATOM 1301 C LYS A 85 -20.007 13.535 1.532 1.00 0.00 C ATOM 1302 O LYS A 85 -20.487 14.344 0.741 1.00 0.00 O ATOM 1303 CB LYS A 85 -18.761 15.400 2.694 1.00 0.00 C ATOM 1304 CG LYS A 85 -18.262 16.015 4.005 1.00 0.00 C ATOM 1305 CD LYS A 85 -19.318 16.849 4.726 1.00 0.00 C ATOM 1306 CE LYS A 85 -20.554 16.087 5.205 1.00 0.00 C ATOM 1307 NZ LYS A 85 -21.215 16.853 6.278 1.00 0.00 N ATOM 0 H LYS A 85 -17.695 12.866 2.621 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.221 14.088 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.923 15.319 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.484 16.078 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.926 15.217 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.395 16.642 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.851 17.325 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.642 17.647 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -21.244 15.932 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.268 15.101 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -22.056 16.337 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.555 16.979 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -21.501 17.785 5.914 1.00 0.00 H new ATOM 1321 N LYS A 86 -19.940 12.225 1.270 1.00 0.00 N ATOM 1322 CA LYS A 86 -20.381 11.609 0.023 1.00 0.00 C ATOM 1323 C LYS A 86 -19.768 12.315 -1.190 1.00 0.00 C ATOM 1324 O LYS A 86 -20.430 12.469 -2.213 1.00 0.00 O ATOM 1325 CB LYS A 86 -21.922 11.506 0.010 1.00 0.00 C ATOM 1326 CG LYS A 86 -22.447 10.620 1.158 1.00 0.00 C ATOM 1327 CD LYS A 86 -23.930 10.836 1.468 1.00 0.00 C ATOM 1328 CE LYS A 86 -24.831 10.461 0.290 1.00 0.00 C ATOM 1329 NZ LYS A 86 -26.250 10.724 0.598 1.00 0.00 N ATOM 0 H LYS A 86 -19.568 11.551 1.939 1.00 0.00 H new ATOM 0 HA LYS A 86 -20.011 10.586 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.354 12.503 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -22.251 11.096 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.287 9.573 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.863 10.820 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -24.207 10.241 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -24.095 11.881 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -24.536 11.030 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -24.698 9.406 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -26.837 10.460 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -26.536 10.162 1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -26.379 11.735 0.805 1.00 0.00 H new ATOM 1343 N GLU A 87 -18.498 12.725 -1.078 1.00 0.00 N ATOM 1344 CA GLU A 87 -17.696 13.306 -2.158 1.00 0.00 C ATOM 1345 C GLU A 87 -18.388 14.511 -2.824 1.00 0.00 C ATOM 1346 O GLU A 87 -18.334 14.684 -4.044 1.00 0.00 O ATOM 1347 CB GLU A 87 -17.276 12.197 -3.144 1.00 0.00 C ATOM 1348 CG GLU A 87 -16.426 11.108 -2.467 1.00 0.00 C ATOM 1349 CD GLU A 87 -16.162 9.921 -3.393 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -15.489 10.097 -4.437 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -16.603 8.797 -3.056 1.00 0.00 O ATOM 0 H GLU A 87 -17.984 12.658 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.783 13.727 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.167 11.743 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.711 12.638 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.476 11.537 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.935 10.759 -1.568 1.00 0.00 H new ATOM 1358 N LYS A 88 -19.052 15.347 -2.015 1.00 0.00 N ATOM 1359 CA LYS A 88 -19.729 16.571 -2.440 1.00 0.00 C ATOM 1360 C LYS A 88 -18.789 17.480 -3.230 1.00 0.00 C ATOM 1361 O LYS A 88 -18.994 17.657 -4.430 1.00 0.00 O ATOM 1362 CB LYS A 88 -20.323 17.285 -1.210 1.00 0.00 C ATOM 1363 CG LYS A 88 -21.803 16.942 -1.027 1.00 0.00 C ATOM 1364 CD LYS A 88 -22.299 17.340 0.377 1.00 0.00 C ATOM 1365 CE LYS A 88 -23.815 17.577 0.519 1.00 0.00 C ATOM 1366 NZ LYS A 88 -24.614 17.020 -0.592 1.00 0.00 N ATOM 0 H LYS A 88 -19.133 15.180 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 88 -20.545 16.311 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.768 16.997 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.209 18.363 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -22.394 17.457 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.953 15.873 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.007 16.558 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.780 18.250 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.156 17.136 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.001 18.649 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.614 16.972 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.519 17.631 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.272 16.065 -0.821 1.00 0.00 H new ATOM 1380 N HIS A 89 -17.798 18.085 -2.577 1.00 0.00 N ATOM 1381 CA HIS A 89 -16.825 18.980 -3.199 1.00 0.00 C ATOM 1382 C HIS A 89 -15.552 18.995 -2.345 1.00 0.00 C ATOM 1383 O HIS A 89 -15.601 18.642 -1.162 1.00 0.00 O ATOM 1384 CB HIS A 89 -17.437 20.388 -3.326 1.00 0.00 C ATOM 1385 CG HIS A 89 -16.562 21.378 -4.053 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -15.669 22.245 -3.466 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -16.511 21.584 -5.406 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -15.080 22.949 -4.445 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -15.568 22.591 -5.644 1.00 0.00 N ATOM 0 H HIS A 89 -17.646 17.963 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 89 -16.566 18.634 -4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -18.391 20.312 -3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -17.649 20.771 -2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -17.092 21.064 -6.153 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.319 23.700 -4.290 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -15.303 22.977 -6.550 1.00 0.00 H new ATOM 1397 N LYS A 90 -14.424 19.408 -2.922 1.00 0.00 N ATOM 1398 CA LYS A 90 -13.139 19.591 -2.251 1.00 0.00 C ATOM 1399 C LYS A 90 -12.535 20.875 -2.804 1.00 0.00 C ATOM 1400 O LYS A 90 -12.682 21.145 -3.997 1.00 0.00 O ATOM 1401 CB LYS A 90 -12.230 18.379 -2.530 1.00 0.00 C ATOM 1402 CG LYS A 90 -12.702 17.117 -1.792 1.00 0.00 C ATOM 1403 CD LYS A 90 -11.835 15.876 -2.049 1.00 0.00 C ATOM 1404 CE LYS A 90 -12.228 15.081 -3.306 1.00 0.00 C ATOM 1405 NZ LYS A 90 -11.493 15.472 -4.527 1.00 0.00 N ATOM 0 H LYS A 90 -14.380 19.634 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.255 19.665 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.207 18.184 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.210 18.615 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.717 17.320 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.727 16.898 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.794 16.186 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.897 15.218 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.059 14.021 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.296 15.208 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.714 14.805 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.776 16.432 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.471 15.455 -4.337 1.00 0.00 H new ATOM 1419 N THR A 91 -11.852 21.665 -1.980 1.00 0.00 N ATOM 1420 CA THR A 91 -11.367 22.993 -2.343 1.00 0.00 C ATOM 1421 C THR A 91 -9.879 23.107 -1.995 1.00 0.00 C ATOM 1422 O THR A 91 -9.484 23.879 -1.115 1.00 0.00 O ATOM 1423 CB THR A 91 -12.256 24.075 -1.696 1.00 0.00 C ATOM 1424 OG1 THR A 91 -13.623 23.783 -1.880 1.00 0.00 O ATOM 1425 CG2 THR A 91 -12.038 25.450 -2.332 1.00 0.00 C ATOM 0 H THR A 91 -11.616 21.395 -1.025 1.00 0.00 H new ATOM 0 HA THR A 91 -11.442 23.154 -3.418 1.00 0.00 H new ATOM 0 HB THR A 91 -11.982 24.086 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.166 24.482 -1.460 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.684 26.182 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 91 -10.996 25.747 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.279 25.402 -3.394 1.00 0.00 H new ATOM 1433 N LYS A 92 -9.048 22.372 -2.751 1.00 0.00 N ATOM 1434 CA LYS A 92 -7.632 22.116 -2.475 1.00 0.00 C ATOM 1435 C LYS A 92 -7.451 21.356 -1.168 1.00 0.00 C ATOM 1436 O LYS A 92 -8.437 21.079 -0.462 1.00 0.00 O ATOM 1437 CB LYS A 92 -6.779 23.400 -2.489 1.00 0.00 C ATOM 1438 CG LYS A 92 -6.000 23.643 -3.781 1.00 0.00 C ATOM 1439 CD LYS A 92 -5.089 24.854 -3.566 1.00 0.00 C ATOM 1440 CE LYS A 92 -4.050 24.963 -4.675 1.00 0.00 C ATOM 1441 NZ LYS A 92 -3.206 26.145 -4.455 1.00 0.00 N ATOM 0 H LYS A 92 -9.363 21.921 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.269 21.489 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.432 24.254 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.073 23.359 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.410 22.764 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.684 23.824 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.689 25.763 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.588 24.770 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.434 24.064 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.545 25.034 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.499 26.213 -5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.799 27.000 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.722 26.060 -3.539 1.00 0.00 H new TER 1455 LYS A 92