USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 849 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 46 SER OG : rot -170:sc= -1.27 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.63 K(o=-2.9,f=-5.5!) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -11! C(o=-12!,f=-14!) USER MOD Set 2.2: A 13 MET CE :methyl -176:sc= -0.584 (180deg=-0.645) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 8:sc= 1.48 USER MOD Single : A 9 TYR OH : rot -143:sc= 0.00817 USER MOD Single : A 12 HIS : no HD1:sc= -1 X(o=-1,f=-0.52) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 106:sc= 0.475 USER MOD Single : A 36 SER OG : rot 180:sc= -2.52 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.7!) USER MOD Single : A 49 SER OG : rot -160:sc= 0.475 USER MOD Single : A 51 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -33:sc= 1.63 USER MOD Single : A 63 THR OG1 : rot 119:sc= 1.03 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -166:sc= -3.12 (180deg=-3.82) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -51:sc= 0.628 USER MOD Single : A 75 THR OG1 : rot 136:sc= 1.49 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -20:sc= 1.14 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -1.04 F(o=-4,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.935) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.576 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.921 2.288 -25.380 1.00 0.00 N ATOM 2 CA GLY A 1 8.449 3.556 -24.850 1.00 0.00 C ATOM 3 C GLY A 1 7.917 3.390 -23.424 1.00 0.00 C ATOM 4 O GLY A 1 7.770 2.269 -22.940 1.00 0.00 O ATOM 0 H1 GLY A 1 9.950 2.333 -25.524 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.699 1.526 -24.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.453 2.095 -26.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.262 4.282 -24.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.662 3.952 -25.492 1.00 0.00 H new ATOM 8 N SER A 2 7.644 4.522 -22.793 1.00 0.00 N ATOM 9 CA SER A 2 7.132 4.516 -21.433 1.00 0.00 C ATOM 10 C SER A 2 5.617 4.732 -21.444 1.00 0.00 C ATOM 11 O SER A 2 5.055 5.168 -22.447 1.00 0.00 O ATOM 12 CB SER A 2 7.815 5.588 -20.583 1.00 0.00 C ATOM 13 OG SER A 2 7.476 6.905 -21.009 1.00 0.00 O ATOM 0 H SER A 2 7.768 5.450 -23.198 1.00 0.00 H new ATOM 0 HA SER A 2 7.351 3.545 -20.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.528 5.460 -19.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.896 5.457 -20.635 1.00 0.00 H new ATOM 0 HG SER A 2 7.931 7.560 -20.440 1.00 0.00 H new ATOM 19 N SER A 3 4.999 4.417 -20.315 1.00 0.00 N ATOM 20 CA SER A 3 3.560 4.572 -20.181 1.00 0.00 C ATOM 21 C SER A 3 3.175 4.624 -18.702 1.00 0.00 C ATOM 22 O SER A 3 3.323 3.637 -17.983 1.00 0.00 O ATOM 23 CB SER A 3 2.816 3.434 -20.884 1.00 0.00 C ATOM 24 OG SER A 3 1.451 3.760 -21.128 1.00 0.00 O ATOM 0 H SER A 3 5.468 4.055 -19.485 1.00 0.00 H new ATOM 0 HA SER A 3 3.271 5.508 -20.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.309 3.208 -21.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.870 2.533 -20.273 1.00 0.00 H new ATOM 0 HG SER A 3 1.011 3.010 -21.579 1.00 0.00 H new ATOM 30 N GLY A 4 2.687 5.785 -18.290 1.00 0.00 N ATOM 31 CA GLY A 4 2.280 5.979 -16.909 1.00 0.00 C ATOM 32 C GLY A 4 3.342 6.754 -16.127 1.00 0.00 C ATOM 33 O GLY A 4 4.512 6.374 -16.118 1.00 0.00 O ATOM 0 H GLY A 4 2.564 6.601 -18.889 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.334 6.519 -16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.110 5.011 -16.437 1.00 0.00 H new ATOM 37 N SER A 5 2.896 7.827 -15.490 1.00 0.00 N ATOM 38 CA SER A 5 3.793 8.659 -14.707 1.00 0.00 C ATOM 39 C SER A 5 3.226 8.861 -13.300 1.00 0.00 C ATOM 40 O SER A 5 2.429 9.770 -13.074 1.00 0.00 O ATOM 41 CB SER A 5 4.024 10.011 -15.386 1.00 0.00 C ATOM 42 OG SER A 5 4.528 10.985 -14.477 1.00 0.00 O ATOM 0 H SER A 5 1.925 8.139 -15.500 1.00 0.00 H new ATOM 0 HA SER A 5 4.754 8.151 -14.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.726 9.887 -16.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.087 10.366 -15.815 1.00 0.00 H new ATOM 0 HG SER A 5 4.664 11.833 -14.949 1.00 0.00 H new ATOM 48 N SER A 6 3.660 7.999 -12.393 1.00 0.00 N ATOM 49 CA SER A 6 3.206 8.072 -11.014 1.00 0.00 C ATOM 50 C SER A 6 1.685 8.234 -10.973 1.00 0.00 C ATOM 51 O SER A 6 1.178 9.351 -10.883 1.00 0.00 O ATOM 52 CB SER A 6 3.883 9.225 -10.271 1.00 0.00 C ATOM 53 OG SER A 6 3.330 10.488 -10.628 1.00 0.00 O ATOM 0 H SER A 6 4.321 7.246 -12.585 1.00 0.00 H new ATOM 0 HA SER A 6 3.480 7.143 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.779 9.074 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.950 9.221 -10.492 1.00 0.00 H new ATOM 0 HG SER A 6 2.534 10.351 -11.183 1.00 0.00 H new ATOM 59 N GLY A 7 0.999 7.102 -11.040 1.00 0.00 N ATOM 60 CA GLY A 7 -0.454 7.105 -11.011 1.00 0.00 C ATOM 61 C GLY A 7 -0.981 6.248 -9.858 1.00 0.00 C ATOM 62 O GLY A 7 -1.685 5.265 -10.082 1.00 0.00 O ATOM 0 H GLY A 7 1.422 6.177 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.817 8.127 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.841 6.726 -11.957 1.00 0.00 H new ATOM 66 N TRP A 8 -0.620 6.653 -8.649 1.00 0.00 N ATOM 67 CA TRP A 8 -1.047 5.935 -7.461 1.00 0.00 C ATOM 68 C TRP A 8 -1.170 6.944 -6.317 1.00 0.00 C ATOM 69 O TRP A 8 -2.161 6.944 -5.589 1.00 0.00 O ATOM 70 CB TRP A 8 -0.091 4.783 -7.142 1.00 0.00 C ATOM 71 CG TRP A 8 1.321 4.974 -7.700 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.834 4.479 -8.834 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.387 5.739 -7.098 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.147 4.866 -9.007 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.494 5.657 -7.918 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.414 6.476 -5.901 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.710 6.288 -7.629 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.637 7.100 -5.627 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.761 7.027 -6.441 1.00 0.00 C ATOM 0 H TRP A 8 -0.036 7.470 -8.467 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.020 5.470 -7.621 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.030 4.664 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.507 3.858 -7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.288 3.855 -9.526 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.752 4.617 -9.790 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.560 6.555 -5.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.563 6.209 -8.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.712 7.679 -4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.670 7.538 -6.158 1.00 0.00 H new ATOM 90 N TYR A 9 -0.149 7.779 -6.196 1.00 0.00 N ATOM 91 CA TYR A 9 -0.129 8.791 -5.153 1.00 0.00 C ATOM 92 C TYR A 9 -1.437 9.585 -5.135 1.00 0.00 C ATOM 93 O TYR A 9 -1.648 10.459 -5.974 1.00 0.00 O ATOM 94 CB TYR A 9 1.022 9.736 -5.503 1.00 0.00 C ATOM 95 CG TYR A 9 1.465 10.633 -4.346 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.333 10.146 -3.389 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.997 11.928 -4.258 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.750 10.990 -2.300 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.414 12.772 -3.168 1.00 0.00 C ATOM 100 CZ TYR A 9 2.270 12.262 -2.243 1.00 0.00 C ATOM 101 OH TYR A 9 2.664 13.059 -1.214 1.00 0.00 O ATOM 0 H TYR A 9 0.671 7.776 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.007 8.329 -4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.874 9.145 -5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.721 10.364 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.699 9.132 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.318 12.309 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.429 10.622 -1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.055 13.787 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 9 1.915 13.624 -0.933 1.00 0.00 H new ATOM 111 N HIS A 10 -2.282 9.251 -4.170 1.00 0.00 N ATOM 112 CA HIS A 10 -3.563 9.921 -4.032 1.00 0.00 C ATOM 113 C HIS A 10 -3.380 11.224 -3.251 1.00 0.00 C ATOM 114 O HIS A 10 -4.158 12.163 -3.411 1.00 0.00 O ATOM 115 CB HIS A 10 -4.598 8.990 -3.398 1.00 0.00 C ATOM 116 CG HIS A 10 -4.951 7.794 -4.249 1.00 0.00 C ATOM 117 ND1 HIS A 10 -5.969 7.814 -5.187 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.411 6.542 -4.294 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.030 6.623 -5.764 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.064 5.836 -5.209 1.00 0.00 N ATOM 0 H HIS A 10 -2.104 8.525 -3.476 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.949 10.180 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.218 8.640 -2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.506 9.558 -3.193 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.570 8.611 -5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.591 6.186 -3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.723 6.327 -6.538 1.00 0.00 H new ATOM 128 N GLY A 11 -2.346 11.238 -2.422 1.00 0.00 N ATOM 129 CA GLY A 11 -2.050 12.410 -1.615 1.00 0.00 C ATOM 130 C GLY A 11 -2.401 12.166 -0.146 1.00 0.00 C ATOM 131 O GLY A 11 -1.777 11.337 0.516 1.00 0.00 O ATOM 0 H GLY A 11 -1.703 10.457 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.993 12.659 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.612 13.266 -1.990 1.00 0.00 H new ATOM 135 N HIS A 12 -3.398 12.903 0.322 1.00 0.00 N ATOM 136 CA HIS A 12 -3.838 12.777 1.701 1.00 0.00 C ATOM 137 C HIS A 12 -5.136 11.968 1.753 1.00 0.00 C ATOM 138 O HIS A 12 -6.225 12.525 1.625 1.00 0.00 O ATOM 139 CB HIS A 12 -3.971 14.153 2.356 1.00 0.00 C ATOM 140 CG HIS A 12 -3.524 14.193 3.798 1.00 0.00 C ATOM 141 ND1 HIS A 12 -4.321 14.686 4.817 1.00 0.00 N ATOM 142 CD2 HIS A 12 -2.357 13.794 4.381 1.00 0.00 C ATOM 143 CE1 HIS A 12 -3.652 14.585 5.956 1.00 0.00 C ATOM 144 NE2 HIS A 12 -2.435 14.033 5.684 1.00 0.00 N ATOM 0 H HIS A 12 -3.913 13.589 -0.229 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.089 12.235 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.386 14.874 1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.012 14.472 2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.512 13.357 3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.008 14.887 6.930 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.705 13.836 6.369 1.00 0.00 H new ATOM 152 N MET A 13 -4.976 10.666 1.942 1.00 0.00 N ATOM 153 CA MET A 13 -6.121 9.775 2.013 1.00 0.00 C ATOM 154 C MET A 13 -6.162 9.040 3.354 1.00 0.00 C ATOM 155 O MET A 13 -5.119 8.749 3.938 1.00 0.00 O ATOM 156 CB MET A 13 -6.046 8.756 0.874 1.00 0.00 C ATOM 157 CG MET A 13 -7.355 7.971 0.753 1.00 0.00 C ATOM 158 SD MET A 13 -8.426 8.752 -0.442 1.00 0.00 S ATOM 159 CE MET A 13 -7.832 7.982 -1.940 1.00 0.00 C ATOM 0 H MET A 13 -4.071 10.207 2.048 1.00 0.00 H new ATOM 0 HA MET A 13 -7.028 10.372 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.837 9.269 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.220 8.067 1.051 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.147 6.945 0.451 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.851 7.924 1.722 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.348 8.411 -2.799 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.760 8.154 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.025 6.910 -1.899 1.00 0.00 H new ATOM 169 N SER A 14 -7.377 8.761 3.803 1.00 0.00 N ATOM 170 CA SER A 14 -7.567 8.066 5.065 1.00 0.00 C ATOM 171 C SER A 14 -7.371 6.561 4.868 1.00 0.00 C ATOM 172 O SER A 14 -7.769 6.009 3.844 1.00 0.00 O ATOM 173 CB SER A 14 -8.954 8.349 5.646 1.00 0.00 C ATOM 174 OG SER A 14 -9.275 7.464 6.716 1.00 0.00 O ATOM 0 H SER A 14 -8.239 9.004 3.316 1.00 0.00 H new ATOM 0 HA SER A 14 -6.824 8.433 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.995 9.378 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.703 8.254 4.860 1.00 0.00 H new ATOM 0 HG SER A 14 -10.167 7.678 7.061 1.00 0.00 H new ATOM 180 N GLY A 15 -6.757 5.941 5.865 1.00 0.00 N ATOM 181 CA GLY A 15 -6.504 4.511 5.814 1.00 0.00 C ATOM 182 C GLY A 15 -7.803 3.731 5.601 1.00 0.00 C ATOM 183 O GLY A 15 -7.975 3.074 4.576 1.00 0.00 O ATOM 0 H GLY A 15 -6.427 6.403 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.807 4.290 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.030 4.189 6.741 1.00 0.00 H new ATOM 187 N GLY A 16 -8.683 3.830 6.586 1.00 0.00 N ATOM 188 CA GLY A 16 -9.961 3.142 6.519 1.00 0.00 C ATOM 189 C GLY A 16 -10.602 3.308 5.140 1.00 0.00 C ATOM 190 O GLY A 16 -11.335 2.432 4.683 1.00 0.00 O ATOM 0 H GLY A 16 -8.536 4.376 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.819 2.083 6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.630 3.535 7.285 1.00 0.00 H new ATOM 194 N GLN A 17 -10.301 4.436 4.514 1.00 0.00 N ATOM 195 CA GLN A 17 -10.838 4.728 3.196 1.00 0.00 C ATOM 196 C GLN A 17 -10.195 3.817 2.148 1.00 0.00 C ATOM 197 O GLN A 17 -10.878 3.015 1.514 1.00 0.00 O ATOM 198 CB GLN A 17 -10.641 6.202 2.837 1.00 0.00 C ATOM 199 CG GLN A 17 -11.963 6.844 2.412 1.00 0.00 C ATOM 200 CD GLN A 17 -11.920 8.362 2.599 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.108 8.886 3.685 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.663 9.037 1.482 1.00 0.00 N ATOM 0 H GLN A 17 -9.691 5.159 4.896 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.910 4.533 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.232 6.737 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.914 6.289 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.167 6.608 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.780 6.425 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.515 8.536 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.613 10.056 1.502 1.00 0.00 H new ATOM 211 N ALA A 18 -8.887 3.973 1.998 1.00 0.00 N ATOM 212 CA ALA A 18 -8.144 3.175 1.038 1.00 0.00 C ATOM 213 C ALA A 18 -8.698 1.749 1.029 1.00 0.00 C ATOM 214 O ALA A 18 -8.982 1.196 -0.033 1.00 0.00 O ATOM 215 CB ALA A 18 -6.654 3.219 1.382 1.00 0.00 C ATOM 0 H ALA A 18 -8.324 4.640 2.525 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.259 3.580 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.096 2.620 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.303 4.250 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.500 2.818 2.384 1.00 0.00 H new ATOM 221 N GLU A 19 -8.836 1.194 2.224 1.00 0.00 N ATOM 222 CA GLU A 19 -9.352 -0.157 2.367 1.00 0.00 C ATOM 223 C GLU A 19 -10.679 -0.301 1.619 1.00 0.00 C ATOM 224 O GLU A 19 -10.866 -1.247 0.855 1.00 0.00 O ATOM 225 CB GLU A 19 -9.510 -0.530 3.842 1.00 0.00 C ATOM 226 CG GLU A 19 -8.318 -1.357 4.330 1.00 0.00 C ATOM 227 CD GLU A 19 -8.777 -2.498 5.239 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.741 -3.188 4.840 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.155 -2.655 6.311 1.00 0.00 O ATOM 0 H GLU A 19 -8.599 1.655 3.102 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.633 -0.848 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.599 0.376 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.431 -1.096 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.778 -1.764 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.622 -0.715 4.870 1.00 0.00 H new ATOM 236 N THR A 20 -11.566 0.651 1.866 1.00 0.00 N ATOM 237 CA THR A 20 -12.871 0.643 1.226 1.00 0.00 C ATOM 238 C THR A 20 -12.732 0.928 -0.271 1.00 0.00 C ATOM 239 O THR A 20 -13.369 0.271 -1.093 1.00 0.00 O ATOM 240 CB THR A 20 -13.762 1.649 1.956 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.437 0.867 2.937 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.888 2.185 1.069 1.00 0.00 C ATOM 0 H THR A 20 -11.407 1.434 2.501 1.00 0.00 H new ATOM 0 HA THR A 20 -13.340 -0.338 1.296 1.00 0.00 H new ATOM 0 HB THR A 20 -13.154 2.480 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.036 1.442 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.491 2.895 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.460 2.685 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.516 1.358 0.739 1.00 0.00 H new ATOM 250 N LEU A 21 -11.896 1.908 -0.579 1.00 0.00 N ATOM 251 CA LEU A 21 -11.666 2.288 -1.963 1.00 0.00 C ATOM 252 C LEU A 21 -11.176 1.069 -2.747 1.00 0.00 C ATOM 253 O LEU A 21 -11.779 0.689 -3.750 1.00 0.00 O ATOM 254 CB LEU A 21 -10.720 3.489 -2.038 1.00 0.00 C ATOM 255 CG LEU A 21 -11.314 4.837 -1.627 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.887 5.214 -0.207 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.956 5.926 -2.641 1.00 0.00 C ATOM 0 H LEU A 21 -11.369 2.451 0.106 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.596 2.614 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.857 3.286 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.352 3.573 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.400 4.745 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.323 6.177 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.233 4.452 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.800 5.282 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.391 6.874 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.872 6.025 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.350 5.655 -3.620 1.00 0.00 H new ATOM 269 N LEU A 22 -10.088 0.490 -2.261 1.00 0.00 N ATOM 270 CA LEU A 22 -9.511 -0.678 -2.904 1.00 0.00 C ATOM 271 C LEU A 22 -10.591 -1.747 -3.074 1.00 0.00 C ATOM 272 O LEU A 22 -10.745 -2.314 -4.155 1.00 0.00 O ATOM 273 CB LEU A 22 -8.282 -1.162 -2.132 1.00 0.00 C ATOM 274 CG LEU A 22 -7.028 -0.293 -2.254 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.053 -0.574 -1.108 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.369 -0.471 -3.623 1.00 0.00 C ATOM 0 H LEU A 22 -9.591 0.808 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.153 -0.426 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.547 -1.237 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.037 -2.168 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.327 0.752 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.171 0.056 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.538 -0.356 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.755 -1.622 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.480 0.157 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.085 -1.515 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.071 -0.183 -4.405 1.00 0.00 H new ATOM 288 N GLN A 23 -11.312 -1.992 -1.989 1.00 0.00 N ATOM 289 CA GLN A 23 -12.374 -2.984 -2.004 1.00 0.00 C ATOM 290 C GLN A 23 -13.448 -2.596 -3.022 1.00 0.00 C ATOM 291 O GLN A 23 -13.839 -3.410 -3.858 1.00 0.00 O ATOM 292 CB GLN A 23 -12.978 -3.161 -0.610 1.00 0.00 C ATOM 293 CG GLN A 23 -12.032 -3.944 0.303 1.00 0.00 C ATOM 294 CD GLN A 23 -12.619 -4.085 1.709 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.603 -3.458 2.065 1.00 0.00 O ATOM 296 NE2 GLN A 23 -11.961 -4.941 2.486 1.00 0.00 N ATOM 0 H GLN A 23 -11.181 -1.521 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.947 -3.941 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.185 -2.184 -0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.931 -3.684 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.848 -4.932 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.069 -3.436 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.144 -5.433 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.273 -5.105 3.443 1.00 0.00 H new ATOM 305 N ALA A 24 -13.895 -1.353 -2.919 1.00 0.00 N ATOM 306 CA ALA A 24 -14.916 -0.848 -3.821 1.00 0.00 C ATOM 307 C ALA A 24 -14.593 -1.290 -5.250 1.00 0.00 C ATOM 308 O ALA A 24 -15.490 -1.658 -6.007 1.00 0.00 O ATOM 309 CB ALA A 24 -15.006 0.674 -3.688 1.00 0.00 C ATOM 0 H ALA A 24 -13.569 -0.681 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.893 -1.257 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.772 1.054 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.266 0.935 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.044 1.119 -3.943 1.00 0.00 H new ATOM 315 N LYS A 25 -13.310 -1.240 -5.575 1.00 0.00 N ATOM 316 CA LYS A 25 -12.857 -1.632 -6.899 1.00 0.00 C ATOM 317 C LYS A 25 -12.823 -3.159 -6.991 1.00 0.00 C ATOM 318 O LYS A 25 -13.404 -3.742 -7.905 1.00 0.00 O ATOM 319 CB LYS A 25 -11.520 -0.966 -7.227 1.00 0.00 C ATOM 320 CG LYS A 25 -11.445 -0.584 -8.707 1.00 0.00 C ATOM 321 CD LYS A 25 -11.202 0.917 -8.874 1.00 0.00 C ATOM 322 CE LYS A 25 -11.585 1.381 -10.281 1.00 0.00 C ATOM 323 NZ LYS A 25 -10.516 2.227 -10.857 1.00 0.00 N ATOM 0 H LYS A 25 -12.569 -0.934 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.555 -1.282 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.393 -0.076 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.702 -1.643 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.643 -1.142 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.373 -0.864 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.784 1.468 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.152 1.142 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.757 0.516 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.520 1.941 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.792 2.533 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.371 3.062 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.632 1.681 -10.911 1.00 0.00 H new ATOM 337 N GLY A 26 -12.136 -3.762 -6.032 1.00 0.00 N ATOM 338 CA GLY A 26 -12.019 -5.210 -5.993 1.00 0.00 C ATOM 339 C GLY A 26 -10.748 -5.676 -6.707 1.00 0.00 C ATOM 340 O GLY A 26 -10.223 -6.748 -6.411 1.00 0.00 O ATOM 0 H GLY A 26 -11.655 -3.275 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.004 -5.550 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.892 -5.662 -6.464 1.00 0.00 H new ATOM 344 N GLU A 27 -10.290 -4.846 -7.633 1.00 0.00 N ATOM 345 CA GLU A 27 -9.090 -5.160 -8.391 1.00 0.00 C ATOM 346 C GLU A 27 -8.052 -5.829 -7.488 1.00 0.00 C ATOM 347 O GLU A 27 -7.511 -5.196 -6.583 1.00 0.00 O ATOM 348 CB GLU A 27 -8.516 -3.906 -9.052 1.00 0.00 C ATOM 349 CG GLU A 27 -9.439 -3.399 -10.162 1.00 0.00 C ATOM 350 CD GLU A 27 -8.974 -2.037 -10.682 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.033 -1.486 -10.070 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.569 -1.578 -11.681 1.00 0.00 O ATOM 0 H GLU A 27 -10.728 -3.957 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.356 -5.859 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.380 -3.126 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.532 -4.127 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.458 -4.118 -10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.458 -3.319 -9.784 1.00 0.00 H new ATOM 359 N PRO A 28 -7.798 -7.134 -7.773 1.00 0.00 N ATOM 360 CA PRO A 28 -6.834 -7.896 -6.998 1.00 0.00 C ATOM 361 C PRO A 28 -5.401 -7.501 -7.363 1.00 0.00 C ATOM 362 O PRO A 28 -5.038 -7.488 -8.539 1.00 0.00 O ATOM 363 CB PRO A 28 -7.145 -9.352 -7.303 1.00 0.00 C ATOM 364 CG PRO A 28 -7.959 -9.343 -8.587 1.00 0.00 C ATOM 365 CD PRO A 28 -8.419 -7.917 -8.838 1.00 0.00 C ATOM 0 HA PRO A 28 -6.909 -7.703 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.229 -9.930 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.705 -9.811 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.358 -9.703 -9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.816 -10.011 -8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.105 -7.567 -9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.506 -7.840 -8.804 1.00 0.00 H new ATOM 373 N TRP A 29 -4.626 -7.190 -6.335 1.00 0.00 N ATOM 374 CA TRP A 29 -3.242 -6.797 -6.533 1.00 0.00 C ATOM 375 C TRP A 29 -3.225 -5.331 -6.972 1.00 0.00 C ATOM 376 O TRP A 29 -2.689 -5.002 -8.029 1.00 0.00 O ATOM 377 CB TRP A 29 -2.544 -7.726 -7.529 1.00 0.00 C ATOM 378 CG TRP A 29 -2.717 -9.214 -7.216 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.141 -10.185 -8.037 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.452 -9.865 -5.956 1.00 0.00 C ATOM 381 NE1 TRP A 29 -3.168 -11.409 -7.400 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.735 -11.208 -6.094 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.987 -9.336 -4.739 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.586 -12.134 -5.055 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.844 -10.274 -3.710 1.00 0.00 C ATOM 386 CH2 TRP A 29 -2.125 -11.630 -3.833 1.00 0.00 C ATOM 0 H TRP A 29 -4.931 -7.202 -5.362 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.679 -6.890 -5.604 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.931 -7.528 -8.528 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.480 -7.490 -7.547 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.426 -10.029 -9.067 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.453 -12.298 -7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.758 -8.289 -4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.814 -13.181 -5.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.490 -9.919 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.988 -12.291 -2.990 1.00 0.00 H new ATOM 397 N THR A 30 -3.819 -4.490 -6.138 1.00 0.00 N ATOM 398 CA THR A 30 -3.879 -3.067 -6.426 1.00 0.00 C ATOM 399 C THR A 30 -3.308 -2.261 -5.258 1.00 0.00 C ATOM 400 O THR A 30 -3.828 -2.322 -4.145 1.00 0.00 O ATOM 401 CB THR A 30 -5.330 -2.713 -6.757 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.657 -3.570 -7.847 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.471 -1.304 -7.336 1.00 0.00 C ATOM 0 H THR A 30 -4.263 -4.767 -5.263 1.00 0.00 H new ATOM 0 HA THR A 30 -3.262 -2.812 -7.287 1.00 0.00 H new ATOM 0 HB THR A 30 -5.939 -2.798 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.249 -4.286 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.520 -1.103 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.104 -0.575 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.889 -1.228 -8.255 1.00 0.00 H new ATOM 411 N PHE A 31 -2.246 -1.526 -5.551 1.00 0.00 N ATOM 412 CA PHE A 31 -1.598 -0.709 -4.539 1.00 0.00 C ATOM 413 C PHE A 31 -1.888 0.776 -4.765 1.00 0.00 C ATOM 414 O PHE A 31 -2.362 1.164 -5.832 1.00 0.00 O ATOM 415 CB PHE A 31 -0.093 -0.948 -4.667 1.00 0.00 C ATOM 416 CG PHE A 31 0.587 -0.085 -5.732 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.464 -0.406 -7.047 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.313 1.004 -5.363 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.094 0.395 -8.036 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.943 1.805 -6.351 1.00 0.00 C ATOM 421 CZ PHE A 31 1.820 1.484 -7.667 1.00 0.00 C ATOM 0 H PHE A 31 -1.817 -1.479 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.970 -0.978 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.378 -0.755 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.079 -1.999 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.113 -1.271 -7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.410 1.259 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.997 0.139 -9.081 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.520 2.669 -6.058 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.299 2.094 -8.419 1.00 0.00 H new ATOM 431 N LEU A 32 -1.590 1.567 -3.745 1.00 0.00 N ATOM 432 CA LEU A 32 -1.812 3.001 -3.819 1.00 0.00 C ATOM 433 C LEU A 32 -1.051 3.690 -2.684 1.00 0.00 C ATOM 434 O LEU A 32 -1.094 3.239 -1.540 1.00 0.00 O ATOM 435 CB LEU A 32 -3.310 3.311 -3.832 1.00 0.00 C ATOM 436 CG LEU A 32 -4.017 3.263 -2.476 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.579 4.428 -1.588 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.536 3.215 -2.651 1.00 0.00 C ATOM 0 H LEU A 32 -1.196 1.242 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.419 3.400 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.452 4.304 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.801 2.604 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.722 2.344 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.096 4.370 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.503 4.375 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.825 5.371 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.014 3.181 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.869 4.104 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.809 2.325 -3.219 1.00 0.00 H new ATOM 450 N VAL A 33 -0.373 4.771 -3.040 1.00 0.00 N ATOM 451 CA VAL A 33 0.395 5.526 -2.065 1.00 0.00 C ATOM 452 C VAL A 33 -0.441 6.707 -1.567 1.00 0.00 C ATOM 453 O VAL A 33 -0.983 7.469 -2.366 1.00 0.00 O ATOM 454 CB VAL A 33 1.733 5.955 -2.672 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.742 6.311 -1.579 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.287 4.871 -3.599 1.00 0.00 C ATOM 0 H VAL A 33 -0.340 5.142 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 33 0.629 4.906 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 33 1.558 6.849 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.684 6.612 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.352 7.132 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.910 5.443 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.238 5.201 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.439 3.951 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.579 4.687 -4.408 1.00 0.00 H new ATOM 466 N ARG A 34 -0.519 6.821 -0.249 1.00 0.00 N ATOM 467 CA ARG A 34 -1.280 7.896 0.365 1.00 0.00 C ATOM 468 C ARG A 34 -0.619 8.333 1.674 1.00 0.00 C ATOM 469 O ARG A 34 -0.193 7.496 2.468 1.00 0.00 O ATOM 470 CB ARG A 34 -2.719 7.460 0.649 1.00 0.00 C ATOM 471 CG ARG A 34 -2.749 6.166 1.465 1.00 0.00 C ATOM 472 CD ARG A 34 -4.000 6.101 2.343 1.00 0.00 C ATOM 473 NE ARG A 34 -3.700 5.379 3.599 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.792 4.050 3.743 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.177 3.290 2.709 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.500 3.481 4.921 1.00 0.00 N ATOM 0 H ARG A 34 -0.068 6.187 0.410 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.297 8.732 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.241 8.248 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.251 7.314 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.727 5.308 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.858 6.105 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.349 7.109 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.804 5.597 1.807 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.404 5.928 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.400 3.723 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.247 2.278 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.208 4.060 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.570 2.469 5.030 1.00 0.00 H new ATOM 490 N GLU A 35 -0.554 9.644 1.858 1.00 0.00 N ATOM 491 CA GLU A 35 0.047 10.202 3.057 1.00 0.00 C ATOM 492 C GLU A 35 -0.712 9.733 4.300 1.00 0.00 C ATOM 493 O GLU A 35 -1.935 9.842 4.362 1.00 0.00 O ATOM 494 CB GLU A 35 0.093 11.730 2.987 1.00 0.00 C ATOM 495 CG GLU A 35 1.340 12.207 2.240 1.00 0.00 C ATOM 496 CD GLU A 35 1.121 13.598 1.640 1.00 0.00 C ATOM 497 OE1 GLU A 35 -0.062 13.984 1.519 1.00 0.00 O ATOM 498 OE2 GLU A 35 2.141 14.244 1.317 1.00 0.00 O ATOM 0 H GLU A 35 -0.908 10.335 1.197 1.00 0.00 H new ATOM 0 HA GLU A 35 1.074 9.843 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.800 12.102 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.088 12.144 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.190 12.231 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.587 11.500 1.448 1.00 0.00 H new ATOM 505 N SER A 36 0.046 9.220 5.258 1.00 0.00 N ATOM 506 CA SER A 36 -0.540 8.733 6.495 1.00 0.00 C ATOM 507 C SER A 36 -1.194 9.889 7.255 1.00 0.00 C ATOM 508 O SER A 36 -0.601 10.958 7.396 1.00 0.00 O ATOM 509 CB SER A 36 0.512 8.050 7.371 1.00 0.00 C ATOM 510 OG SER A 36 0.114 6.737 7.758 1.00 0.00 O ATOM 0 H SER A 36 1.061 9.131 5.202 1.00 0.00 H new ATOM 0 HA SER A 36 -1.301 7.994 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.456 7.998 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.689 8.653 8.262 1.00 0.00 H new ATOM 0 HG SER A 36 0.813 6.334 8.315 1.00 0.00 H new ATOM 516 N LEU A 37 -2.406 9.636 7.724 1.00 0.00 N ATOM 517 CA LEU A 37 -3.147 10.643 8.466 1.00 0.00 C ATOM 518 C LEU A 37 -2.785 10.545 9.950 1.00 0.00 C ATOM 519 O LEU A 37 -2.716 11.559 10.643 1.00 0.00 O ATOM 520 CB LEU A 37 -4.646 10.517 8.189 1.00 0.00 C ATOM 521 CG LEU A 37 -5.284 11.672 7.415 1.00 0.00 C ATOM 522 CD1 LEU A 37 -5.009 11.546 5.915 1.00 0.00 C ATOM 523 CD2 LEU A 37 -6.781 11.773 7.716 1.00 0.00 C ATOM 0 H LEU A 37 -2.894 8.748 7.605 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.868 11.643 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.816 9.595 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.164 10.415 9.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.824 12.602 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.474 12.380 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.933 11.561 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.424 10.608 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.210 12.602 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.274 10.845 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.927 11.944 8.782 1.00 0.00 H new ATOM 535 N SER A 38 -2.564 9.317 10.393 1.00 0.00 N ATOM 536 CA SER A 38 -2.212 9.074 11.781 1.00 0.00 C ATOM 537 C SER A 38 -0.762 9.492 12.034 1.00 0.00 C ATOM 538 O SER A 38 -0.422 9.934 13.130 1.00 0.00 O ATOM 539 CB SER A 38 -2.412 7.603 12.151 1.00 0.00 C ATOM 540 OG SER A 38 -3.786 7.285 12.351 1.00 0.00 O ATOM 0 H SER A 38 -2.622 8.479 9.815 1.00 0.00 H new ATOM 0 HA SER A 38 -2.871 9.672 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.005 6.972 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.852 7.378 13.059 1.00 0.00 H new ATOM 0 HG SER A 38 -3.872 6.337 12.584 1.00 0.00 H new ATOM 546 N GLN A 39 0.053 9.338 11.001 1.00 0.00 N ATOM 547 CA GLN A 39 1.459 9.695 11.097 1.00 0.00 C ATOM 548 C GLN A 39 1.834 10.680 9.988 1.00 0.00 C ATOM 549 O GLN A 39 2.051 10.280 8.845 1.00 0.00 O ATOM 550 CB GLN A 39 2.345 8.449 11.046 1.00 0.00 C ATOM 551 CG GLN A 39 3.046 8.219 12.387 1.00 0.00 C ATOM 552 CD GLN A 39 2.029 7.960 13.500 1.00 0.00 C ATOM 553 OE1 GLN A 39 0.880 7.628 13.261 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.514 8.130 14.726 1.00 0.00 N ATOM 0 H GLN A 39 -0.233 8.971 10.093 1.00 0.00 H new ATOM 0 HA GLN A 39 1.626 10.181 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.740 7.578 10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.089 8.559 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.725 7.370 12.305 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.652 9.089 12.639 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.486 8.409 14.856 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.914 7.981 15.537 1.00 0.00 H new ATOM 563 N PRO A 40 1.900 11.982 10.374 1.00 0.00 N ATOM 564 CA PRO A 40 2.245 13.028 9.426 1.00 0.00 C ATOM 565 C PRO A 40 3.742 13.009 9.110 1.00 0.00 C ATOM 566 O PRO A 40 4.570 13.190 10.001 1.00 0.00 O ATOM 567 CB PRO A 40 1.793 14.321 10.084 1.00 0.00 C ATOM 568 CG PRO A 40 1.638 14.004 11.563 1.00 0.00 C ATOM 569 CD PRO A 40 1.649 12.492 11.719 1.00 0.00 C ATOM 0 HA PRO A 40 1.757 12.898 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.524 15.114 9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.851 14.668 9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.449 14.453 12.137 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.707 14.421 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.424 12.171 12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.699 12.127 12.110 1.00 0.00 H new ATOM 577 N GLY A 41 4.043 12.789 7.838 1.00 0.00 N ATOM 578 CA GLY A 41 5.425 12.744 7.394 1.00 0.00 C ATOM 579 C GLY A 41 5.766 11.377 6.798 1.00 0.00 C ATOM 580 O GLY A 41 6.680 11.261 5.983 1.00 0.00 O ATOM 0 H GLY A 41 3.353 12.640 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.597 13.522 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.087 12.954 8.234 1.00 0.00 H new ATOM 584 N ASP A 42 5.012 10.376 7.227 1.00 0.00 N ATOM 585 CA ASP A 42 5.222 9.021 6.746 1.00 0.00 C ATOM 586 C ASP A 42 4.191 8.703 5.661 1.00 0.00 C ATOM 587 O ASP A 42 3.397 9.563 5.284 1.00 0.00 O ATOM 588 CB ASP A 42 5.049 8.002 7.874 1.00 0.00 C ATOM 589 CG ASP A 42 5.920 8.249 9.108 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.305 9.422 9.305 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.182 7.260 9.825 1.00 0.00 O ATOM 0 H ASP A 42 4.254 10.476 7.903 1.00 0.00 H new ATOM 0 HA ASP A 42 6.237 8.957 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.003 7.997 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.272 7.009 7.484 1.00 0.00 H new ATOM 596 N PHE A 43 4.238 7.466 5.188 1.00 0.00 N ATOM 597 CA PHE A 43 3.318 7.025 4.154 1.00 0.00 C ATOM 598 C PHE A 43 2.919 5.563 4.362 1.00 0.00 C ATOM 599 O PHE A 43 3.655 4.797 4.983 1.00 0.00 O ATOM 600 CB PHE A 43 4.052 7.156 2.818 1.00 0.00 C ATOM 601 CG PHE A 43 4.584 8.562 2.535 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.752 9.518 2.042 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.890 8.856 2.776 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.246 10.823 1.780 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.384 10.161 2.514 1.00 0.00 C ATOM 606 CZ PHE A 43 5.552 11.117 2.021 1.00 0.00 C ATOM 0 H PHE A 43 4.899 6.756 5.502 1.00 0.00 H new ATOM 0 HA PHE A 43 2.411 7.628 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.885 6.454 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.376 6.866 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.715 9.285 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.551 8.097 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.585 11.582 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.421 10.394 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.928 12.109 1.821 1.00 0.00 H new ATOM 616 N VAL A 44 1.755 5.219 3.832 1.00 0.00 N ATOM 617 CA VAL A 44 1.249 3.862 3.952 1.00 0.00 C ATOM 618 C VAL A 44 0.984 3.296 2.555 1.00 0.00 C ATOM 619 O VAL A 44 0.577 4.026 1.653 1.00 0.00 O ATOM 620 CB VAL A 44 0.011 3.842 4.851 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.474 2.410 5.083 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.287 4.551 6.178 1.00 0.00 C ATOM 0 H VAL A 44 1.147 5.857 3.318 1.00 0.00 H new ATOM 0 HA VAL A 44 1.989 3.219 4.428 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.784 4.385 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.355 2.424 5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.729 1.953 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.316 1.832 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.609 4.523 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.104 4.048 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.563 5.588 5.986 1.00 0.00 H new ATOM 632 N LEU A 45 1.224 2.000 2.421 1.00 0.00 N ATOM 633 CA LEU A 45 1.016 1.328 1.150 1.00 0.00 C ATOM 634 C LEU A 45 -0.116 0.309 1.297 1.00 0.00 C ATOM 635 O LEU A 45 0.047 -0.715 1.960 1.00 0.00 O ATOM 636 CB LEU A 45 2.326 0.722 0.643 1.00 0.00 C ATOM 637 CG LEU A 45 2.213 -0.196 -0.575 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.279 0.402 -1.628 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.595 -0.516 -1.151 1.00 0.00 C ATOM 0 H LEU A 45 1.561 1.397 3.172 1.00 0.00 H new ATOM 0 HA LEU A 45 0.706 2.043 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.009 1.536 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.781 0.158 1.457 1.00 0.00 H new ATOM 0 HG LEU A 45 1.772 -1.139 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.217 -0.271 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.286 0.537 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.668 1.367 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.486 -1.170 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.086 0.409 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.199 -1.015 -0.393 1.00 0.00 H new ATOM 651 N SER A 46 -1.239 0.624 0.667 1.00 0.00 N ATOM 652 CA SER A 46 -2.397 -0.251 0.719 1.00 0.00 C ATOM 653 C SER A 46 -2.508 -1.050 -0.581 1.00 0.00 C ATOM 654 O SER A 46 -2.845 -0.497 -1.627 1.00 0.00 O ATOM 655 CB SER A 46 -3.680 0.547 0.963 1.00 0.00 C ATOM 656 OG SER A 46 -4.466 -0.013 2.011 1.00 0.00 O ATOM 0 H SER A 46 -1.371 1.473 0.118 1.00 0.00 H new ATOM 0 HA SER A 46 -2.267 -0.941 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.424 1.577 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.268 0.578 0.046 1.00 0.00 H new ATOM 0 HG SER A 46 -5.343 0.424 2.032 1.00 0.00 H new ATOM 662 N VAL A 47 -2.217 -2.338 -0.473 1.00 0.00 N ATOM 663 CA VAL A 47 -2.280 -3.219 -1.627 1.00 0.00 C ATOM 664 C VAL A 47 -3.455 -4.186 -1.462 1.00 0.00 C ATOM 665 O VAL A 47 -3.652 -4.751 -0.387 1.00 0.00 O ATOM 666 CB VAL A 47 -0.940 -3.933 -1.814 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.008 -4.932 -2.971 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.193 -2.926 -2.024 1.00 0.00 C ATOM 0 H VAL A 47 -1.937 -2.793 0.396 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.457 -2.645 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.727 -4.491 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.043 -5.426 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.775 -5.678 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.255 -4.405 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.135 -3.460 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.011 -2.328 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.264 -2.272 -1.155 1.00 0.00 H new ATOM 678 N LEU A 48 -4.204 -4.346 -2.543 1.00 0.00 N ATOM 679 CA LEU A 48 -5.354 -5.234 -2.531 1.00 0.00 C ATOM 680 C LEU A 48 -4.895 -6.659 -2.849 1.00 0.00 C ATOM 681 O LEU A 48 -4.231 -6.891 -3.858 1.00 0.00 O ATOM 682 CB LEU A 48 -6.442 -4.715 -3.473 1.00 0.00 C ATOM 683 CG LEU A 48 -7.866 -5.190 -3.179 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.290 -4.808 -1.759 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.847 -4.666 -4.230 1.00 0.00 C ATOM 0 H LEU A 48 -4.037 -3.876 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.807 -5.257 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.430 -3.625 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.185 -5.010 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.881 -6.278 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.306 -5.158 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.613 -5.270 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.254 -3.724 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.852 -5.018 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.835 -3.576 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.554 -5.030 -5.215 1.00 0.00 H new ATOM 697 N SER A 49 -5.267 -7.576 -1.968 1.00 0.00 N ATOM 698 CA SER A 49 -4.902 -8.972 -2.142 1.00 0.00 C ATOM 699 C SER A 49 -6.038 -9.728 -2.832 1.00 0.00 C ATOM 700 O SER A 49 -7.182 -9.275 -2.830 1.00 0.00 O ATOM 701 CB SER A 49 -4.568 -9.625 -0.799 1.00 0.00 C ATOM 702 OG SER A 49 -5.644 -10.423 -0.312 1.00 0.00 O ATOM 0 H SER A 49 -5.817 -7.380 -1.132 1.00 0.00 H new ATOM 0 HA SER A 49 -4.011 -9.017 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.678 -10.244 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.331 -8.851 -0.069 1.00 0.00 H new ATOM 0 HG SER A 49 -5.539 -10.560 0.653 1.00 0.00 H new ATOM 708 N ASP A 50 -5.684 -10.868 -3.407 1.00 0.00 N ATOM 709 CA ASP A 50 -6.661 -11.691 -4.101 1.00 0.00 C ATOM 710 C ASP A 50 -7.249 -12.710 -3.122 1.00 0.00 C ATOM 711 O ASP A 50 -7.761 -13.750 -3.535 1.00 0.00 O ATOM 712 CB ASP A 50 -6.013 -12.463 -5.252 1.00 0.00 C ATOM 713 CG ASP A 50 -5.330 -13.772 -4.851 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.995 -13.893 -3.653 1.00 0.00 O ATOM 715 OD2 ASP A 50 -5.159 -14.622 -5.751 1.00 0.00 O ATOM 0 H ASP A 50 -4.735 -11.241 -3.407 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.435 -11.034 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.777 -12.683 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.276 -11.819 -5.732 1.00 0.00 H new ATOM 720 N GLN A 51 -7.158 -12.375 -1.843 1.00 0.00 N ATOM 721 CA GLN A 51 -7.675 -13.248 -0.803 1.00 0.00 C ATOM 722 C GLN A 51 -8.899 -12.614 -0.138 1.00 0.00 C ATOM 723 O GLN A 51 -8.775 -11.631 0.591 1.00 0.00 O ATOM 724 CB GLN A 51 -6.594 -13.568 0.232 1.00 0.00 C ATOM 725 CG GLN A 51 -5.501 -14.452 -0.372 1.00 0.00 C ATOM 726 CD GLN A 51 -5.022 -15.498 0.636 1.00 0.00 C ATOM 727 OE1 GLN A 51 -5.547 -15.630 1.730 1.00 0.00 O ATOM 728 NE2 GLN A 51 -3.999 -16.232 0.209 1.00 0.00 N ATOM 0 H GLN A 51 -6.734 -11.511 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.981 -14.187 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.154 -12.642 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.043 -14.072 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.882 -14.949 -1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.661 -13.833 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.607 -16.069 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.607 -16.958 0.809 1.00 0.00 H new ATOM 737 N PRO A 52 -10.084 -13.218 -0.422 1.00 0.00 N ATOM 738 CA PRO A 52 -11.329 -12.723 0.140 1.00 0.00 C ATOM 739 C PRO A 52 -11.452 -13.099 1.617 1.00 0.00 C ATOM 740 O PRO A 52 -10.614 -13.827 2.148 1.00 0.00 O ATOM 741 CB PRO A 52 -12.421 -13.337 -0.722 1.00 0.00 C ATOM 742 CG PRO A 52 -11.775 -14.513 -1.437 1.00 0.00 C ATOM 743 CD PRO A 52 -10.269 -14.383 -1.282 1.00 0.00 C ATOM 0 HA PRO A 52 -11.393 -11.635 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.262 -13.665 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.809 -12.611 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.122 -15.455 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.051 -14.517 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.838 -15.278 -0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.782 -14.244 -2.247 1.00 0.00 H new ATOM 751 N LYS A 53 -12.503 -12.586 2.240 1.00 0.00 N ATOM 752 CA LYS A 53 -12.746 -12.859 3.647 1.00 0.00 C ATOM 753 C LYS A 53 -13.660 -14.079 3.775 1.00 0.00 C ATOM 754 O LYS A 53 -13.408 -14.966 4.589 1.00 0.00 O ATOM 755 CB LYS A 53 -13.284 -11.611 4.349 1.00 0.00 C ATOM 756 CG LYS A 53 -12.220 -10.513 4.408 1.00 0.00 C ATOM 757 CD LYS A 53 -12.862 -9.137 4.595 1.00 0.00 C ATOM 758 CE LYS A 53 -13.239 -8.903 6.059 1.00 0.00 C ATOM 759 NZ LYS A 53 -14.705 -8.751 6.198 1.00 0.00 N ATOM 0 H LYS A 53 -13.196 -11.983 1.797 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.813 -13.105 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.163 -11.242 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.604 -11.867 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.532 -10.712 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.632 -10.522 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.171 -8.361 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.751 -9.059 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.895 -9.739 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.738 -8.010 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.944 -8.593 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.025 -7.939 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.177 -9.614 5.861 1.00 0.00 H new ATOM 773 N ALA A 54 -14.704 -14.084 2.958 1.00 0.00 N ATOM 774 CA ALA A 54 -15.657 -15.181 2.970 1.00 0.00 C ATOM 775 C ALA A 54 -15.602 -15.913 1.627 1.00 0.00 C ATOM 776 O ALA A 54 -15.913 -17.101 1.551 1.00 0.00 O ATOM 777 CB ALA A 54 -17.054 -14.640 3.282 1.00 0.00 C ATOM 0 H ALA A 54 -14.910 -13.347 2.284 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.404 -15.901 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.769 -15.463 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.047 -14.155 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.343 -13.917 2.519 1.00 0.00 H new ATOM 783 N GLY A 55 -15.204 -15.174 0.602 1.00 0.00 N ATOM 784 CA GLY A 55 -15.105 -15.738 -0.733 1.00 0.00 C ATOM 785 C GLY A 55 -15.789 -14.835 -1.762 1.00 0.00 C ATOM 786 O GLY A 55 -15.489 -13.645 -1.846 1.00 0.00 O ATOM 0 H GLY A 55 -14.946 -14.189 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.056 -15.869 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.564 -16.726 -0.749 1.00 0.00 H new ATOM 790 N PRO A 56 -16.719 -15.452 -2.539 1.00 0.00 N ATOM 791 CA PRO A 56 -17.448 -14.718 -3.559 1.00 0.00 C ATOM 792 C PRO A 56 -18.517 -13.822 -2.930 1.00 0.00 C ATOM 793 O PRO A 56 -19.366 -14.296 -2.178 1.00 0.00 O ATOM 794 CB PRO A 56 -18.030 -15.785 -4.472 1.00 0.00 C ATOM 795 CG PRO A 56 -17.997 -17.079 -3.675 1.00 0.00 C ATOM 796 CD PRO A 56 -17.100 -16.860 -2.468 1.00 0.00 C ATOM 0 HA PRO A 56 -16.811 -14.035 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.049 -15.534 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.447 -15.876 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -19.002 -17.358 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.618 -17.896 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.625 -17.082 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.225 -17.509 -2.502 1.00 0.00 H new ATOM 804 N GLY A 57 -18.441 -12.541 -3.263 1.00 0.00 N ATOM 805 CA GLY A 57 -19.391 -11.574 -2.740 1.00 0.00 C ATOM 806 C GLY A 57 -18.833 -10.872 -1.500 1.00 0.00 C ATOM 807 O GLY A 57 -19.492 -10.010 -0.922 1.00 0.00 O ATOM 0 H GLY A 57 -17.736 -12.151 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.623 -10.835 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.325 -12.076 -2.488 1.00 0.00 H new ATOM 811 N SER A 58 -17.625 -11.268 -1.129 1.00 0.00 N ATOM 812 CA SER A 58 -16.971 -10.688 0.032 1.00 0.00 C ATOM 813 C SER A 58 -15.822 -9.782 -0.413 1.00 0.00 C ATOM 814 O SER A 58 -15.257 -9.973 -1.489 1.00 0.00 O ATOM 815 CB SER A 58 -16.454 -11.777 0.975 1.00 0.00 C ATOM 816 OG SER A 58 -15.468 -12.597 0.353 1.00 0.00 O ATOM 0 H SER A 58 -17.081 -11.984 -1.612 1.00 0.00 H new ATOM 0 HA SER A 58 -17.705 -10.093 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.031 -11.314 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.287 -12.398 1.304 1.00 0.00 H new ATOM 0 HG SER A 58 -15.667 -12.679 -0.603 1.00 0.00 H new ATOM 822 N PRO A 59 -15.501 -8.789 0.459 1.00 0.00 N ATOM 823 CA PRO A 59 -14.429 -7.853 0.167 1.00 0.00 C ATOM 824 C PRO A 59 -13.061 -8.510 0.357 1.00 0.00 C ATOM 825 O PRO A 59 -12.873 -9.306 1.275 1.00 0.00 O ATOM 826 CB PRO A 59 -14.662 -6.682 1.107 1.00 0.00 C ATOM 827 CG PRO A 59 -15.573 -7.205 2.207 1.00 0.00 C ATOM 828 CD PRO A 59 -16.148 -8.533 1.743 1.00 0.00 C ATOM 0 HA PRO A 59 -14.433 -7.520 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.721 -6.319 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.124 -5.846 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.016 -7.333 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.373 -6.493 2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.936 -9.328 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.232 -8.480 1.637 1.00 0.00 H new ATOM 836 N LEU A 60 -12.140 -8.150 -0.525 1.00 0.00 N ATOM 837 CA LEU A 60 -10.794 -8.695 -0.466 1.00 0.00 C ATOM 838 C LEU A 60 -9.988 -7.938 0.593 1.00 0.00 C ATOM 839 O LEU A 60 -9.910 -6.711 0.558 1.00 0.00 O ATOM 840 CB LEU A 60 -10.149 -8.683 -1.853 1.00 0.00 C ATOM 841 CG LEU A 60 -10.735 -9.662 -2.873 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.292 -9.306 -4.293 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.387 -11.107 -2.509 1.00 0.00 C ATOM 0 H LEU A 60 -12.299 -7.488 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.820 -9.741 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.227 -7.675 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.087 -8.899 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.821 -9.575 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.723 -10.018 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.633 -8.300 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.205 -9.346 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.815 -11.782 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.304 -11.227 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.794 -11.342 -1.525 1.00 0.00 H new ATOM 855 N ARG A 61 -9.411 -8.701 1.509 1.00 0.00 N ATOM 856 CA ARG A 61 -8.614 -8.118 2.575 1.00 0.00 C ATOM 857 C ARG A 61 -7.666 -7.058 2.010 1.00 0.00 C ATOM 858 O ARG A 61 -7.441 -7.002 0.802 1.00 0.00 O ATOM 859 CB ARG A 61 -7.797 -9.189 3.301 1.00 0.00 C ATOM 860 CG ARG A 61 -8.581 -9.772 4.478 1.00 0.00 C ATOM 861 CD ARG A 61 -8.133 -11.204 4.779 1.00 0.00 C ATOM 862 NE ARG A 61 -8.887 -11.737 5.936 1.00 0.00 N ATOM 863 CZ ARG A 61 -8.678 -11.363 7.206 1.00 0.00 C ATOM 864 NH1 ARG A 61 -7.738 -10.451 7.490 1.00 0.00 N ATOM 865 NH2 ARG A 61 -9.410 -11.900 8.191 1.00 0.00 N ATOM 0 H ARG A 61 -9.479 -9.718 1.535 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.299 -7.656 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.534 -9.985 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.862 -8.758 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.436 -9.149 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.647 -9.761 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.296 -11.836 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.064 -11.223 4.991 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.611 -12.432 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.182 -10.041 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.579 -10.166 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.126 -12.593 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.251 -11.616 9.158 1.00 0.00 H new ATOM 879 N VAL A 62 -7.136 -6.244 2.911 1.00 0.00 N ATOM 880 CA VAL A 62 -6.217 -5.190 2.518 1.00 0.00 C ATOM 881 C VAL A 62 -4.960 -5.264 3.387 1.00 0.00 C ATOM 882 O VAL A 62 -5.030 -5.642 4.555 1.00 0.00 O ATOM 883 CB VAL A 62 -6.917 -3.831 2.594 1.00 0.00 C ATOM 884 CG1 VAL A 62 -5.957 -2.698 2.224 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.163 -3.806 1.707 1.00 0.00 C ATOM 0 H VAL A 62 -7.326 -6.293 3.912 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.904 -5.323 1.482 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.236 -3.676 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.480 -1.743 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.114 -2.696 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.593 -2.847 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.642 -2.829 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.877 -3.994 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.860 -4.577 2.037 1.00 0.00 H new ATOM 895 N THR A 63 -3.839 -4.898 2.782 1.00 0.00 N ATOM 896 CA THR A 63 -2.568 -4.919 3.486 1.00 0.00 C ATOM 897 C THR A 63 -1.937 -3.525 3.488 1.00 0.00 C ATOM 898 O THR A 63 -1.835 -2.884 2.443 1.00 0.00 O ATOM 899 CB THR A 63 -1.685 -5.985 2.835 1.00 0.00 C ATOM 900 OG1 THR A 63 -1.666 -7.047 3.785 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.221 -5.551 2.734 1.00 0.00 C ATOM 0 H THR A 63 -3.785 -4.585 1.813 1.00 0.00 H new ATOM 0 HA THR A 63 -2.701 -5.183 4.535 1.00 0.00 H new ATOM 0 HB THR A 63 -2.066 -6.213 1.840 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.052 -7.853 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.362 -6.344 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.151 -4.644 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.170 -5.355 3.732 1.00 0.00 H new ATOM 909 N HIS A 64 -1.529 -3.097 4.674 1.00 0.00 N ATOM 910 CA HIS A 64 -0.911 -1.791 4.826 1.00 0.00 C ATOM 911 C HIS A 64 0.585 -1.960 5.101 1.00 0.00 C ATOM 912 O HIS A 64 0.974 -2.403 6.181 1.00 0.00 O ATOM 913 CB HIS A 64 -1.624 -0.974 5.905 1.00 0.00 C ATOM 914 CG HIS A 64 -3.090 -0.741 5.630 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.544 0.238 4.763 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.199 -1.369 6.116 1.00 0.00 C ATOM 917 CE1 HIS A 64 -4.868 0.192 4.737 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.272 -0.804 5.576 1.00 0.00 N ATOM 0 H HIS A 64 -1.614 -3.632 5.538 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.013 -1.227 3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.521 -1.486 6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.126 -0.010 6.005 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.959 0.885 4.234 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.203 -2.187 6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.514 0.831 4.154 1.00 0.00 H new ATOM 926 N ILE A 65 1.382 -1.599 4.106 1.00 0.00 N ATOM 927 CA ILE A 65 2.826 -1.705 4.228 1.00 0.00 C ATOM 928 C ILE A 65 3.402 -0.341 4.613 1.00 0.00 C ATOM 929 O ILE A 65 3.678 0.487 3.746 1.00 0.00 O ATOM 930 CB ILE A 65 3.429 -2.290 2.949 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.976 -3.736 2.741 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.954 -2.162 2.955 1.00 0.00 C ATOM 933 CD1 ILE A 65 2.096 -3.861 1.495 1.00 0.00 C ATOM 0 H ILE A 65 1.055 -1.233 3.212 1.00 0.00 H new ATOM 0 HA ILE A 65 3.092 -2.399 5.025 1.00 0.00 H new ATOM 0 HB ILE A 65 3.060 -1.712 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.847 -4.383 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.424 -4.077 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.358 -2.585 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.231 -1.110 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.361 -2.700 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.788 -4.899 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.214 -3.231 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.659 -3.542 0.618 1.00 0.00 H new ATOM 945 N LYS A 66 3.568 -0.150 5.913 1.00 0.00 N ATOM 946 CA LYS A 66 4.107 1.099 6.423 1.00 0.00 C ATOM 947 C LYS A 66 5.452 1.382 5.750 1.00 0.00 C ATOM 948 O LYS A 66 6.291 0.490 5.632 1.00 0.00 O ATOM 949 CB LYS A 66 4.179 1.068 7.951 1.00 0.00 C ATOM 950 CG LYS A 66 2.974 1.779 8.571 1.00 0.00 C ATOM 951 CD LYS A 66 2.668 1.224 9.964 1.00 0.00 C ATOM 952 CE LYS A 66 1.210 0.770 10.064 1.00 0.00 C ATOM 953 NZ LYS A 66 0.601 1.258 11.322 1.00 0.00 N ATOM 0 H LYS A 66 3.339 -0.839 6.629 1.00 0.00 H new ATOM 0 HA LYS A 66 3.445 1.928 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.213 0.035 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.100 1.546 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.173 2.849 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.103 1.656 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.330 0.385 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.867 1.988 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.646 1.146 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.158 -0.318 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.388 0.941 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.129 0.879 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.633 2.297 11.343 1.00 0.00 H new ATOM 967 N VAL A 67 5.615 2.627 5.327 1.00 0.00 N ATOM 968 CA VAL A 67 6.844 3.038 4.669 1.00 0.00 C ATOM 969 C VAL A 67 7.682 3.874 5.638 1.00 0.00 C ATOM 970 O VAL A 67 7.372 5.038 5.888 1.00 0.00 O ATOM 971 CB VAL A 67 6.519 3.777 3.369 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.767 4.451 2.795 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.886 2.833 2.345 1.00 0.00 C ATOM 0 H VAL A 67 4.917 3.364 5.427 1.00 0.00 H new ATOM 0 HA VAL A 67 7.439 2.167 4.393 1.00 0.00 H new ATOM 0 HB VAL A 67 5.793 4.557 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.509 4.969 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.157 5.169 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.525 3.696 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.665 3.384 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.578 2.021 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.963 2.421 2.752 1.00 0.00 H new ATOM 983 N MET A 68 8.727 3.247 6.158 1.00 0.00 N ATOM 984 CA MET A 68 9.612 3.919 7.095 1.00 0.00 C ATOM 985 C MET A 68 10.477 4.960 6.382 1.00 0.00 C ATOM 986 O MET A 68 11.266 4.620 5.502 1.00 0.00 O ATOM 987 CB MET A 68 10.513 2.887 7.776 1.00 0.00 C ATOM 988 CG MET A 68 9.892 2.398 9.087 1.00 0.00 C ATOM 989 SD MET A 68 8.576 1.242 8.746 1.00 0.00 S ATOM 990 CE MET A 68 9.515 -0.271 8.626 1.00 0.00 C ATOM 0 H MET A 68 8.981 2.282 5.949 1.00 0.00 H new ATOM 0 HA MET A 68 9.002 4.430 7.840 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.673 2.041 7.107 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.491 3.327 7.974 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.654 1.922 9.705 1.00 0.00 H new ATOM 0 HG3 MET A 68 9.505 3.245 9.654 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.897 -1.048 8.176 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.396 -0.104 8.007 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.826 -0.586 9.622 1.00 0.00 H new ATOM 1000 N CYS A 69 10.299 6.209 6.789 1.00 0.00 N ATOM 1001 CA CYS A 69 11.054 7.302 6.200 1.00 0.00 C ATOM 1002 C CYS A 69 12.096 7.769 7.217 1.00 0.00 C ATOM 1003 O CYS A 69 11.804 8.603 8.073 1.00 0.00 O ATOM 1004 CB CYS A 69 10.139 8.445 5.754 1.00 0.00 C ATOM 1005 SG CYS A 69 11.144 9.876 5.215 1.00 0.00 S ATOM 0 H CYS A 69 9.643 6.488 7.519 1.00 0.00 H new ATOM 0 HA CYS A 69 11.559 6.955 5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.498 8.112 4.938 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.484 8.738 6.574 1.00 0.00 H new ATOM 0 HG CYS A 69 10.358 10.840 4.836 1.00 0.00 H new ATOM 1011 N GLU A 70 13.291 7.211 7.091 1.00 0.00 N ATOM 1012 CA GLU A 70 14.379 7.560 7.989 1.00 0.00 C ATOM 1013 C GLU A 70 15.618 7.965 7.189 1.00 0.00 C ATOM 1014 O GLU A 70 15.917 7.369 6.155 1.00 0.00 O ATOM 1015 CB GLU A 70 14.695 6.405 8.942 1.00 0.00 C ATOM 1016 CG GLU A 70 13.424 5.891 9.622 1.00 0.00 C ATOM 1017 CD GLU A 70 13.616 5.788 11.136 1.00 0.00 C ATOM 1018 OE1 GLU A 70 13.801 6.855 11.759 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.573 4.643 11.637 1.00 0.00 O ATOM 0 H GLU A 70 13.530 6.519 6.380 1.00 0.00 H new ATOM 0 HA GLU A 70 14.067 8.411 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.170 5.594 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.407 6.737 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.593 6.561 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.161 4.914 9.218 1.00 0.00 H new ATOM 1026 N GLY A 71 16.307 8.977 7.697 1.00 0.00 N ATOM 1027 CA GLY A 71 17.507 9.469 7.043 1.00 0.00 C ATOM 1028 C GLY A 71 17.236 9.793 5.573 1.00 0.00 C ATOM 1029 O GLY A 71 18.088 9.564 4.716 1.00 0.00 O ATOM 0 H GLY A 71 16.056 9.469 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.865 10.362 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.297 8.722 7.115 1.00 0.00 H new ATOM 1033 N GLY A 72 16.047 10.322 5.326 1.00 0.00 N ATOM 1034 CA GLY A 72 15.653 10.681 3.974 1.00 0.00 C ATOM 1035 C GLY A 72 15.609 9.447 3.071 1.00 0.00 C ATOM 1036 O GLY A 72 15.818 9.549 1.863 1.00 0.00 O ATOM 0 H GLY A 72 15.343 10.511 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.673 11.159 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.355 11.409 3.568 1.00 0.00 H new ATOM 1040 N ARG A 73 15.335 8.308 3.691 1.00 0.00 N ATOM 1041 CA ARG A 73 15.260 7.056 2.957 1.00 0.00 C ATOM 1042 C ARG A 73 13.976 6.306 3.317 1.00 0.00 C ATOM 1043 O ARG A 73 13.539 6.333 4.466 1.00 0.00 O ATOM 1044 CB ARG A 73 16.466 6.166 3.264 1.00 0.00 C ATOM 1045 CG ARG A 73 17.665 6.548 2.395 1.00 0.00 C ATOM 1046 CD ARG A 73 18.936 5.843 2.874 1.00 0.00 C ATOM 1047 NE ARG A 73 19.713 5.356 1.712 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.980 4.926 1.783 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.621 4.919 2.960 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.606 4.501 0.677 1.00 0.00 N ATOM 0 H ARG A 73 15.162 8.226 4.693 1.00 0.00 H new ATOM 0 HA ARG A 73 15.259 7.294 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.732 6.258 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.205 5.122 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.466 6.281 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.811 7.628 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.542 6.530 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.676 5.008 3.524 1.00 0.00 H new ATOM 0 HE ARG A 73 19.255 5.347 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 21.144 5.241 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 73 22.586 4.592 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.118 4.505 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.571 4.174 0.731 1.00 0.00 H new ATOM 1064 N TYR A 74 13.408 5.654 2.313 1.00 0.00 N ATOM 1065 CA TYR A 74 12.183 4.898 2.509 1.00 0.00 C ATOM 1066 C TYR A 74 12.474 3.400 2.614 1.00 0.00 C ATOM 1067 O TYR A 74 13.314 2.874 1.886 1.00 0.00 O ATOM 1068 CB TYR A 74 11.327 5.153 1.267 1.00 0.00 C ATOM 1069 CG TYR A 74 10.703 6.549 1.217 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.893 6.980 2.247 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.950 7.377 0.140 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.305 8.293 2.200 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.362 8.691 0.093 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.569 9.084 1.125 1.00 0.00 C ATOM 1075 OH TYR A 74 9.014 10.325 1.081 1.00 0.00 O ATOM 0 H TYR A 74 13.774 5.634 1.361 1.00 0.00 H new ATOM 0 HA TYR A 74 11.686 5.204 3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.942 5.009 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.531 4.409 1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.700 6.332 3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.584 7.040 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.669 8.642 3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.547 9.349 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 74 8.049 10.258 1.239 1.00 0.00 H new ATOM 1085 N THR A 75 11.764 2.754 3.528 1.00 0.00 N ATOM 1086 CA THR A 75 11.936 1.327 3.738 1.00 0.00 C ATOM 1087 C THR A 75 10.663 0.718 4.329 1.00 0.00 C ATOM 1088 O THR A 75 9.987 1.349 5.140 1.00 0.00 O ATOM 1089 CB THR A 75 13.171 1.124 4.618 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.990 -0.174 5.177 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.185 2.054 5.832 1.00 0.00 C ATOM 0 H THR A 75 11.069 3.193 4.131 1.00 0.00 H new ATOM 0 HA THR A 75 12.101 0.806 2.795 1.00 0.00 H new ATOM 0 HB THR A 75 14.070 1.289 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.833 -0.672 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.082 1.868 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.180 3.091 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.303 1.866 6.444 1.00 0.00 H new ATOM 1099 N VAL A 76 10.374 -0.502 3.899 1.00 0.00 N ATOM 1100 CA VAL A 76 9.194 -1.203 4.375 1.00 0.00 C ATOM 1101 C VAL A 76 9.547 -1.984 5.643 1.00 0.00 C ATOM 1102 O VAL A 76 8.733 -2.755 6.148 1.00 0.00 O ATOM 1103 CB VAL A 76 8.629 -2.090 3.264 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.598 -1.344 1.929 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.421 -3.394 3.147 1.00 0.00 C ATOM 0 H VAL A 76 10.937 -1.022 3.226 1.00 0.00 H new ATOM 0 HA VAL A 76 8.408 -0.494 4.638 1.00 0.00 H new ATOM 0 HB VAL A 76 7.603 -2.345 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.192 -1.997 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.970 -0.458 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.610 -1.044 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.999 -4.006 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.462 -3.168 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.367 -3.938 4.090 1.00 0.00 H new ATOM 1115 N GLY A 77 10.762 -1.757 6.120 1.00 0.00 N ATOM 1116 CA GLY A 77 11.233 -2.430 7.319 1.00 0.00 C ATOM 1117 C GLY A 77 12.418 -3.344 7.005 1.00 0.00 C ATOM 1118 O GLY A 77 12.906 -4.058 7.880 1.00 0.00 O ATOM 0 H GLY A 77 11.435 -1.117 5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.527 -1.690 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.423 -3.015 7.754 1.00 0.00 H new ATOM 1122 N GLY A 78 12.849 -3.293 5.753 1.00 0.00 N ATOM 1123 CA GLY A 78 13.969 -4.107 5.312 1.00 0.00 C ATOM 1124 C GLY A 78 15.225 -3.255 5.123 1.00 0.00 C ATOM 1125 O GLY A 78 15.181 -2.035 5.275 1.00 0.00 O ATOM 0 H GLY A 78 12.442 -2.700 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.164 -4.891 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.716 -4.602 4.374 1.00 0.00 H new ATOM 1129 N LEU A 79 16.316 -3.932 4.794 1.00 0.00 N ATOM 1130 CA LEU A 79 17.583 -3.252 4.583 1.00 0.00 C ATOM 1131 C LEU A 79 17.447 -2.282 3.408 1.00 0.00 C ATOM 1132 O LEU A 79 17.693 -1.086 3.555 1.00 0.00 O ATOM 1133 CB LEU A 79 18.714 -4.269 4.413 1.00 0.00 C ATOM 1134 CG LEU A 79 19.358 -4.778 5.705 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.120 -3.658 6.416 1.00 0.00 C ATOM 1136 CD2 LEU A 79 18.317 -5.432 6.615 1.00 0.00 C ATOM 0 H LEU A 79 16.349 -4.944 4.668 1.00 0.00 H new ATOM 0 HA LEU A 79 17.847 -2.658 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.326 -5.126 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.491 -3.818 3.796 1.00 0.00 H new ATOM 0 HG LEU A 79 20.086 -5.547 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.568 -4.046 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.904 -3.279 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.432 -2.850 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.800 -5.785 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.548 -4.703 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.859 -6.275 6.097 1.00 0.00 H new ATOM 1148 N GLU A 80 17.055 -2.833 2.269 1.00 0.00 N ATOM 1149 CA GLU A 80 16.882 -2.031 1.070 1.00 0.00 C ATOM 1150 C GLU A 80 16.129 -0.741 1.398 1.00 0.00 C ATOM 1151 O GLU A 80 15.235 -0.738 2.243 1.00 0.00 O ATOM 1152 CB GLU A 80 16.162 -2.825 -0.022 1.00 0.00 C ATOM 1153 CG GLU A 80 16.958 -4.073 -0.409 1.00 0.00 C ATOM 1154 CD GLU A 80 16.026 -5.255 -0.684 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.703 -5.962 0.295 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.659 -5.424 -1.866 1.00 0.00 O ATOM 0 H GLU A 80 16.852 -3.826 2.151 1.00 0.00 H new ATOM 0 HA GLU A 80 17.868 -1.765 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.171 -3.115 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.018 -2.195 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.559 -3.865 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.650 -4.330 0.393 1.00 0.00 H new ATOM 1163 N THR A 81 16.516 0.324 0.711 1.00 0.00 N ATOM 1164 CA THR A 81 15.888 1.617 0.919 1.00 0.00 C ATOM 1165 C THR A 81 15.644 2.313 -0.422 1.00 0.00 C ATOM 1166 O THR A 81 15.849 1.720 -1.479 1.00 0.00 O ATOM 1167 CB THR A 81 16.772 2.425 1.871 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.101 2.090 1.478 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.676 1.935 3.317 1.00 0.00 C ATOM 0 H THR A 81 17.257 0.317 0.010 1.00 0.00 H new ATOM 0 HA THR A 81 14.905 1.510 1.378 1.00 0.00 H new ATOM 0 HB THR A 81 16.489 3.477 1.825 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.740 2.572 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.323 2.542 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.646 2.020 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.991 0.893 3.370 1.00 0.00 H new ATOM 1177 N PHE A 82 15.210 3.562 -0.333 1.00 0.00 N ATOM 1178 CA PHE A 82 14.936 4.345 -1.526 1.00 0.00 C ATOM 1179 C PHE A 82 14.923 5.842 -1.209 1.00 0.00 C ATOM 1180 O PHE A 82 14.958 6.233 -0.043 1.00 0.00 O ATOM 1181 CB PHE A 82 13.550 3.930 -2.025 1.00 0.00 C ATOM 1182 CG PHE A 82 13.307 2.420 -2.001 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.684 1.653 -3.060 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.712 1.844 -0.922 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.458 0.252 -3.038 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.486 0.442 -0.900 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.864 -0.325 -1.958 1.00 0.00 C ATOM 0 H PHE A 82 15.041 4.051 0.546 1.00 0.00 H new ATOM 0 HA PHE A 82 15.709 4.166 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.793 4.419 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.418 4.293 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.155 2.110 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.411 2.453 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.757 -0.356 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.014 -0.015 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.693 -1.391 -1.941 1.00 0.00 H new ATOM 1197 N ASP A 83 14.875 6.638 -2.267 1.00 0.00 N ATOM 1198 CA ASP A 83 14.857 8.083 -2.116 1.00 0.00 C ATOM 1199 C ASP A 83 13.449 8.605 -2.406 1.00 0.00 C ATOM 1200 O ASP A 83 12.983 9.539 -1.755 1.00 0.00 O ATOM 1201 CB ASP A 83 15.821 8.751 -3.098 1.00 0.00 C ATOM 1202 CG ASP A 83 17.286 8.769 -2.657 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.590 9.553 -1.732 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.068 7.998 -3.254 1.00 0.00 O ATOM 0 H ASP A 83 14.848 6.310 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 83 15.160 8.319 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.752 8.237 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.494 9.778 -3.262 1.00 0.00 H new ATOM 1209 N SER A 84 12.810 7.979 -3.383 1.00 0.00 N ATOM 1210 CA SER A 84 11.464 8.369 -3.767 1.00 0.00 C ATOM 1211 C SER A 84 10.532 7.156 -3.714 1.00 0.00 C ATOM 1212 O SER A 84 10.969 6.024 -3.915 1.00 0.00 O ATOM 1213 CB SER A 84 11.448 8.989 -5.166 1.00 0.00 C ATOM 1214 OG SER A 84 12.370 10.069 -5.281 1.00 0.00 O ATOM 0 H SER A 84 13.199 7.204 -3.920 1.00 0.00 H new ATOM 0 HA SER A 84 11.112 9.121 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.691 8.225 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.443 9.344 -5.394 1.00 0.00 H new ATOM 0 HG SER A 84 12.331 10.437 -6.188 1.00 0.00 H new ATOM 1220 N LEU A 85 9.266 7.434 -3.441 1.00 0.00 N ATOM 1221 CA LEU A 85 8.269 6.380 -3.358 1.00 0.00 C ATOM 1222 C LEU A 85 8.209 5.636 -4.693 1.00 0.00 C ATOM 1223 O LEU A 85 7.952 4.433 -4.727 1.00 0.00 O ATOM 1224 CB LEU A 85 6.922 6.951 -2.910 1.00 0.00 C ATOM 1225 CG LEU A 85 6.614 6.849 -1.415 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.265 5.411 -1.024 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.768 7.406 -0.578 1.00 0.00 C ATOM 0 H LEU A 85 8.907 8.374 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 85 8.548 5.650 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.881 8.001 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.132 6.439 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 85 5.738 7.462 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.050 5.366 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.389 5.084 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.107 4.757 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.523 7.322 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.676 6.840 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.928 8.454 -0.831 1.00 0.00 H new ATOM 1239 N THR A 86 8.449 6.382 -5.762 1.00 0.00 N ATOM 1240 CA THR A 86 8.424 5.807 -7.096 1.00 0.00 C ATOM 1241 C THR A 86 9.478 4.705 -7.222 1.00 0.00 C ATOM 1242 O THR A 86 9.195 3.627 -7.743 1.00 0.00 O ATOM 1243 CB THR A 86 8.611 6.944 -8.104 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.425 7.722 -7.974 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.579 6.453 -9.552 1.00 0.00 C ATOM 0 H THR A 86 8.662 7.379 -5.731 1.00 0.00 H new ATOM 0 HA THR A 86 7.468 5.324 -7.301 1.00 0.00 H new ATOM 0 HB THR A 86 9.559 7.447 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.721 7.179 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.716 7.299 -10.226 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.380 5.730 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.618 5.980 -9.755 1.00 0.00 H new ATOM 1253 N ASP A 87 10.671 5.013 -6.735 1.00 0.00 N ATOM 1254 CA ASP A 87 11.768 4.061 -6.786 1.00 0.00 C ATOM 1255 C ASP A 87 11.480 2.906 -5.825 1.00 0.00 C ATOM 1256 O ASP A 87 12.099 1.847 -5.920 1.00 0.00 O ATOM 1257 CB ASP A 87 13.084 4.715 -6.358 1.00 0.00 C ATOM 1258 CG ASP A 87 14.011 5.114 -7.508 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.592 5.988 -8.297 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.118 4.536 -7.571 1.00 0.00 O ATOM 0 H ASP A 87 10.902 5.908 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 87 11.859 3.705 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.856 5.604 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.618 4.027 -5.703 1.00 0.00 H new ATOM 1265 N LEU A 88 10.541 3.148 -4.923 1.00 0.00 N ATOM 1266 CA LEU A 88 10.163 2.140 -3.947 1.00 0.00 C ATOM 1267 C LEU A 88 9.040 1.275 -4.521 1.00 0.00 C ATOM 1268 O LEU A 88 9.121 0.048 -4.495 1.00 0.00 O ATOM 1269 CB LEU A 88 9.812 2.795 -2.609 1.00 0.00 C ATOM 1270 CG LEU A 88 9.277 1.859 -1.524 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.447 2.476 -0.135 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.824 1.470 -1.804 1.00 0.00 C ATOM 0 H LEU A 88 10.030 4.028 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 88 11.003 1.476 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.703 3.292 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.068 3.571 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 88 9.866 0.942 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.059 1.790 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.504 2.661 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.899 3.417 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.468 0.804 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.205 2.367 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.762 0.961 -2.766 1.00 0.00 H new ATOM 1284 N VAL A 89 8.017 1.949 -5.027 1.00 0.00 N ATOM 1285 CA VAL A 89 6.879 1.256 -5.607 1.00 0.00 C ATOM 1286 C VAL A 89 7.334 0.485 -6.847 1.00 0.00 C ATOM 1287 O VAL A 89 6.928 -0.657 -7.056 1.00 0.00 O ATOM 1288 CB VAL A 89 5.755 2.253 -5.902 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.866 1.754 -7.043 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.929 2.535 -4.645 1.00 0.00 C ATOM 0 H VAL A 89 7.953 2.967 -5.047 1.00 0.00 H new ATOM 0 HA VAL A 89 6.475 0.529 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 89 6.212 3.190 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.076 2.480 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.467 1.628 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.422 0.798 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.137 3.246 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.487 1.606 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.574 2.954 -3.872 1.00 0.00 H new ATOM 1300 N GLU A 90 8.171 1.140 -7.638 1.00 0.00 N ATOM 1301 CA GLU A 90 8.686 0.530 -8.852 1.00 0.00 C ATOM 1302 C GLU A 90 9.669 -0.590 -8.508 1.00 0.00 C ATOM 1303 O GLU A 90 10.122 -1.317 -9.391 1.00 0.00 O ATOM 1304 CB GLU A 90 9.342 1.576 -9.756 1.00 0.00 C ATOM 1305 CG GLU A 90 8.290 2.479 -10.403 1.00 0.00 C ATOM 1306 CD GLU A 90 8.842 3.149 -11.663 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.753 3.990 -11.506 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.340 2.805 -12.755 1.00 0.00 O ATOM 0 H GLU A 90 8.505 2.087 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 90 7.849 0.097 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.037 2.181 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.925 1.078 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.407 1.891 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.972 3.241 -9.691 1.00 0.00 H new ATOM 1315 N HIS A 91 9.970 -0.695 -7.222 1.00 0.00 N ATOM 1316 CA HIS A 91 10.891 -1.715 -6.749 1.00 0.00 C ATOM 1317 C HIS A 91 10.106 -2.958 -6.324 1.00 0.00 C ATOM 1318 O HIS A 91 10.432 -4.072 -6.731 1.00 0.00 O ATOM 1319 CB HIS A 91 11.783 -1.167 -5.634 1.00 0.00 C ATOM 1320 CG HIS A 91 12.456 -2.234 -4.805 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.055 -2.859 -3.661 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.690 -2.769 -5.130 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.992 -3.730 -3.308 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.007 -3.675 -4.217 1.00 0.00 N flip ATOM 0 H HIS A 91 9.592 -0.090 -6.493 1.00 0.00 H new ATOM 0 HA HIS A 91 11.560 -2.009 -7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.548 -0.528 -6.076 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.182 -0.537 -4.978 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.183 -2.686 -3.161 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.293 -2.495 -5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.957 -4.376 -2.443 1.00 0.00 H new ATOM 1332 N PHE A 92 9.087 -2.725 -5.510 1.00 0.00 N ATOM 1333 CA PHE A 92 8.253 -3.811 -5.024 1.00 0.00 C ATOM 1334 C PHE A 92 7.173 -4.172 -6.046 1.00 0.00 C ATOM 1335 O PHE A 92 6.449 -5.150 -5.870 1.00 0.00 O ATOM 1336 CB PHE A 92 7.581 -3.320 -3.741 1.00 0.00 C ATOM 1337 CG PHE A 92 8.517 -3.257 -2.532 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.824 -4.393 -1.850 1.00 0.00 C ATOM 1339 CD2 PHE A 92 9.044 -2.066 -2.141 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.693 -4.335 -0.729 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.913 -2.008 -1.020 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.219 -3.143 -0.337 1.00 0.00 C ATOM 0 H PHE A 92 8.820 -1.799 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 92 8.862 -4.698 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.165 -2.328 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.745 -3.979 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.407 -5.339 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.801 -1.164 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.937 -5.237 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.331 -1.062 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.879 -3.098 0.516 1.00 0.00 H new ATOM 1352 N LYS A 93 7.098 -3.362 -7.092 1.00 0.00 N ATOM 1353 CA LYS A 93 6.119 -3.583 -8.142 1.00 0.00 C ATOM 1354 C LYS A 93 6.472 -4.864 -8.901 1.00 0.00 C ATOM 1355 O LYS A 93 5.696 -5.330 -9.733 1.00 0.00 O ATOM 1356 CB LYS A 93 6.006 -2.349 -9.038 1.00 0.00 C ATOM 1357 CG LYS A 93 4.803 -1.491 -8.641 1.00 0.00 C ATOM 1358 CD LYS A 93 4.737 -0.215 -9.483 1.00 0.00 C ATOM 1359 CE LYS A 93 4.320 -0.528 -10.921 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.113 0.245 -11.290 1.00 0.00 N ATOM 0 H LYS A 93 7.700 -2.551 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 93 5.127 -3.729 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.919 -1.758 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.909 -2.658 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.885 -2.064 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.870 -1.231 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.027 0.482 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.710 0.277 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.136 -0.288 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.122 -1.595 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.843 0.021 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.332 -0.004 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.314 1.262 -11.211 1.00 0.00 H new ATOM 1374 N LYS A 94 7.643 -5.397 -8.586 1.00 0.00 N ATOM 1375 CA LYS A 94 8.108 -6.615 -9.227 1.00 0.00 C ATOM 1376 C LYS A 94 8.358 -7.684 -8.162 1.00 0.00 C ATOM 1377 O LYS A 94 7.707 -8.728 -8.161 1.00 0.00 O ATOM 1378 CB LYS A 94 9.327 -6.326 -10.106 1.00 0.00 C ATOM 1379 CG LYS A 94 9.882 -4.926 -9.831 1.00 0.00 C ATOM 1380 CD LYS A 94 11.244 -4.735 -10.500 1.00 0.00 C ATOM 1381 CE LYS A 94 12.250 -4.115 -9.528 1.00 0.00 C ATOM 1382 NZ LYS A 94 12.567 -2.726 -9.926 1.00 0.00 N ATOM 0 H LYS A 94 8.284 -5.007 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 94 7.344 -7.007 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.100 -7.071 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.051 -6.412 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.183 -4.175 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.976 -4.773 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.618 -5.696 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.137 -4.095 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.842 -4.126 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.162 -4.711 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.370 -2.378 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.815 -2.702 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.739 -2.119 -9.759 1.00 0.00 H new ATOM 1396 N THR A 95 9.302 -7.388 -7.282 1.00 0.00 N ATOM 1397 CA THR A 95 9.646 -8.311 -6.213 1.00 0.00 C ATOM 1398 C THR A 95 8.389 -8.739 -5.453 1.00 0.00 C ATOM 1399 O THR A 95 8.199 -9.922 -5.177 1.00 0.00 O ATOM 1400 CB THR A 95 10.693 -7.637 -5.325 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.997 -6.542 -4.737 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.811 -6.977 -6.134 1.00 0.00 C ATOM 0 H THR A 95 9.840 -6.522 -7.287 1.00 0.00 H new ATOM 0 HA THR A 95 10.078 -9.231 -6.608 1.00 0.00 H new ATOM 0 HB THR A 95 11.123 -8.375 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.602 -6.050 -4.144 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.527 -6.514 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.318 -7.731 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.386 -6.215 -6.788 1.00 0.00 H new ATOM 1410 N GLY A 96 7.562 -7.752 -5.137 1.00 0.00 N ATOM 1411 CA GLY A 96 6.329 -8.012 -4.415 1.00 0.00 C ATOM 1412 C GLY A 96 6.514 -7.780 -2.914 1.00 0.00 C ATOM 1413 O GLY A 96 7.581 -7.356 -2.474 1.00 0.00 O ATOM 0 H GLY A 96 7.722 -6.772 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.539 -7.363 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.010 -9.039 -4.591 1.00 0.00 H new ATOM 1417 N ILE A 97 5.457 -8.069 -2.168 1.00 0.00 N ATOM 1418 CA ILE A 97 5.489 -7.898 -0.726 1.00 0.00 C ATOM 1419 C ILE A 97 5.033 -9.194 -0.053 1.00 0.00 C ATOM 1420 O ILE A 97 4.232 -9.940 -0.613 1.00 0.00 O ATOM 1421 CB ILE A 97 4.674 -6.671 -0.314 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.344 -5.381 -0.792 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.423 -6.661 1.196 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.300 -4.329 -1.172 1.00 0.00 C ATOM 0 H ILE A 97 4.573 -8.421 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 97 6.507 -7.704 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 97 3.701 -6.728 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.990 -4.990 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.980 -5.594 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.842 -5.778 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.872 -7.558 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.377 -6.640 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.803 -3.422 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.671 -4.714 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.681 -4.100 -0.304 1.00 0.00 H new ATOM 1436 N GLU A 98 5.563 -9.422 1.140 1.00 0.00 N ATOM 1437 CA GLU A 98 5.220 -10.614 1.896 1.00 0.00 C ATOM 1438 C GLU A 98 4.432 -10.239 3.152 1.00 0.00 C ATOM 1439 O GLU A 98 4.823 -9.334 3.887 1.00 0.00 O ATOM 1440 CB GLU A 98 6.474 -11.415 2.255 1.00 0.00 C ATOM 1441 CG GLU A 98 6.121 -12.628 3.118 1.00 0.00 C ATOM 1442 CD GLU A 98 7.357 -13.158 3.849 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.989 -12.345 4.558 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.640 -14.364 3.683 1.00 0.00 O ATOM 0 H GLU A 98 6.228 -8.801 1.601 1.00 0.00 H new ATOM 0 HA GLU A 98 4.590 -11.247 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.972 -11.745 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.177 -10.776 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.355 -12.353 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.699 -13.414 2.492 1.00 0.00 H new ATOM 1451 N GLU A 99 3.335 -10.953 3.359 1.00 0.00 N ATOM 1452 CA GLU A 99 2.487 -10.706 4.513 1.00 0.00 C ATOM 1453 C GLU A 99 3.039 -11.433 5.741 1.00 0.00 C ATOM 1454 O GLU A 99 3.941 -12.260 5.624 1.00 0.00 O ATOM 1455 CB GLU A 99 1.043 -11.122 4.231 1.00 0.00 C ATOM 1456 CG GLU A 99 0.337 -10.093 3.346 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.160 -10.391 3.245 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.489 -11.577 3.029 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.941 -9.425 3.386 1.00 0.00 O ATOM 0 H GLU A 99 3.014 -11.703 2.747 1.00 0.00 H new ATOM 0 HA GLU A 99 2.487 -9.636 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.031 -12.096 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.502 -11.230 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.486 -9.094 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.781 -10.099 2.350 1.00 0.00 H new ATOM 1466 N ALA A 100 2.473 -11.097 6.891 1.00 0.00 N ATOM 1467 CA ALA A 100 2.896 -11.707 8.140 1.00 0.00 C ATOM 1468 C ALA A 100 2.228 -13.076 8.286 1.00 0.00 C ATOM 1469 O ALA A 100 2.667 -13.903 9.083 1.00 0.00 O ATOM 1470 CB ALA A 100 2.566 -10.771 9.304 1.00 0.00 C ATOM 0 H ALA A 100 1.725 -10.410 6.984 1.00 0.00 H new ATOM 0 HA ALA A 100 3.975 -11.864 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.884 -11.229 10.241 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.088 -9.824 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.491 -10.592 9.334 1.00 0.00 H new ATOM 1476 N SER A 101 1.178 -13.273 7.503 1.00 0.00 N ATOM 1477 CA SER A 101 0.445 -14.527 7.535 1.00 0.00 C ATOM 1478 C SER A 101 1.214 -15.602 6.764 1.00 0.00 C ATOM 1479 O SER A 101 0.966 -16.794 6.940 1.00 0.00 O ATOM 1480 CB SER A 101 -0.960 -14.360 6.952 1.00 0.00 C ATOM 1481 OG SER A 101 -1.952 -14.264 7.970 1.00 0.00 O ATOM 0 H SER A 101 0.817 -12.585 6.842 1.00 0.00 H new ATOM 0 HA SER A 101 0.343 -14.836 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.991 -13.465 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.187 -15.206 6.304 1.00 0.00 H new ATOM 0 HG SER A 101 -2.835 -14.157 7.558 1.00 0.00 H new ATOM 1487 N GLY A 102 2.133 -15.142 5.928 1.00 0.00 N ATOM 1488 CA GLY A 102 2.940 -16.050 5.130 1.00 0.00 C ATOM 1489 C GLY A 102 2.648 -15.876 3.638 1.00 0.00 C ATOM 1490 O GLY A 102 3.479 -16.213 2.796 1.00 0.00 O ATOM 0 H GLY A 102 2.337 -14.153 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.997 -15.866 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.737 -17.079 5.426 1.00 0.00 H new ATOM 1494 N ALA A 103 1.465 -15.351 3.357 1.00 0.00 N ATOM 1495 CA ALA A 103 1.052 -15.129 1.981 1.00 0.00 C ATOM 1496 C ALA A 103 1.815 -13.931 1.412 1.00 0.00 C ATOM 1497 O ALA A 103 2.218 -13.037 2.155 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.464 -14.934 1.928 1.00 0.00 C ATOM 0 H ALA A 103 0.779 -15.073 4.058 1.00 0.00 H new ATOM 0 HA ALA A 103 1.290 -15.995 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.774 -14.768 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.959 -15.824 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.741 -14.071 2.534 1.00 0.00 H new ATOM 1504 N PHE A 104 1.990 -13.951 0.099 1.00 0.00 N ATOM 1505 CA PHE A 104 2.697 -12.878 -0.579 1.00 0.00 C ATOM 1506 C PHE A 104 1.737 -12.032 -1.417 1.00 0.00 C ATOM 1507 O PHE A 104 0.750 -12.545 -1.943 1.00 0.00 O ATOM 1508 CB PHE A 104 3.723 -13.533 -1.505 1.00 0.00 C ATOM 1509 CG PHE A 104 5.121 -13.658 -0.896 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.341 -14.522 0.131 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.144 -12.905 -1.381 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.638 -14.638 0.696 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.442 -13.020 -0.816 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.661 -13.884 0.211 1.00 0.00 C ATOM 0 H PHE A 104 1.654 -14.694 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 104 3.170 -12.224 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.367 -14.526 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.789 -12.953 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.529 -15.120 0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.969 -12.219 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.813 -15.325 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.254 -12.422 -1.202 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.648 -13.972 0.642 1.00 0.00 H new ATOM 1524 N VAL A 105 2.059 -10.751 -1.517 1.00 0.00 N ATOM 1525 CA VAL A 105 1.238 -9.830 -2.283 1.00 0.00 C ATOM 1526 C VAL A 105 2.072 -9.233 -3.419 1.00 0.00 C ATOM 1527 O VAL A 105 3.300 -9.290 -3.388 1.00 0.00 O ATOM 1528 CB VAL A 105 0.640 -8.768 -1.358 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.045 -7.662 -2.163 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.329 -9.397 -0.355 1.00 0.00 C ATOM 0 H VAL A 105 2.878 -10.329 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 105 0.398 -10.355 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 105 1.457 -8.316 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.461 -6.920 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.684 -7.184 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.846 -8.092 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.740 -8.620 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.140 -9.889 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.201 -10.130 0.252 1.00 0.00 H new ATOM 1540 N TYR A 106 1.370 -8.673 -4.394 1.00 0.00 N ATOM 1541 CA TYR A 106 2.031 -8.065 -5.536 1.00 0.00 C ATOM 1542 C TYR A 106 1.233 -6.869 -6.059 1.00 0.00 C ATOM 1543 O TYR A 106 0.007 -6.846 -5.962 1.00 0.00 O ATOM 1544 CB TYR A 106 2.077 -9.145 -6.620 1.00 0.00 C ATOM 1545 CG TYR A 106 2.582 -10.501 -6.125 1.00 0.00 C ATOM 1546 CD1 TYR A 106 3.937 -10.763 -6.094 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.684 -11.464 -5.711 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.413 -12.040 -5.628 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.160 -12.741 -5.246 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.501 -12.966 -5.227 1.00 0.00 C ATOM 1551 OH TYR A 106 3.951 -14.172 -4.788 1.00 0.00 O ATOM 0 H TYR A 106 0.351 -8.628 -4.416 1.00 0.00 H new ATOM 0 HA TYR A 106 3.023 -7.706 -5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.077 -9.271 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.719 -8.804 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.640 -10.010 -6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.624 -11.260 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.470 -12.257 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.468 -13.503 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 106 3.189 -14.733 -4.533 1.00 0.00 H new ATOM 1561 N LEU A 107 1.961 -5.904 -6.601 1.00 0.00 N ATOM 1562 CA LEU A 107 1.336 -4.708 -7.139 1.00 0.00 C ATOM 1563 C LEU A 107 1.204 -4.845 -8.657 1.00 0.00 C ATOM 1564 O LEU A 107 2.145 -4.556 -9.395 1.00 0.00 O ATOM 1565 CB LEU A 107 2.103 -3.459 -6.699 1.00 0.00 C ATOM 1566 CG LEU A 107 2.595 -3.450 -5.250 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.854 -4.306 -5.093 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.810 -2.019 -4.753 1.00 0.00 C ATOM 0 H LEU A 107 2.978 -5.926 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 107 0.328 -4.593 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.965 -3.336 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.461 -2.591 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 107 1.822 -3.896 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.183 -4.282 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.633 -5.334 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.644 -3.912 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.160 -2.041 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.554 -1.525 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.870 -1.470 -4.806 1.00 0.00 H new ATOM 1580 N ARG A 108 0.028 -5.285 -9.079 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.240 -5.464 -10.496 1.00 0.00 C ATOM 1582 C ARG A 108 -0.562 -4.119 -11.150 1.00 0.00 C ATOM 1583 O ARG A 108 0.016 -3.770 -12.178 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.410 -6.425 -10.719 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.968 -7.878 -10.538 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.830 -8.822 -11.379 1.00 0.00 C ATOM 1587 NE ARG A 108 -0.968 -9.764 -12.127 1.00 0.00 N ATOM 1588 CZ ARG A 108 -0.236 -9.425 -13.197 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -0.257 -8.165 -13.651 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.517 -10.347 -13.813 1.00 0.00 N ATOM 0 H ARG A 108 -0.750 -5.523 -8.464 1.00 0.00 H new ATOM 0 HA ARG A 108 0.655 -5.888 -10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.213 -6.195 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.813 -6.286 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.078 -7.982 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.039 -8.155 -9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.513 -9.375 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.442 -8.247 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.929 -10.732 -11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.830 -7.463 -13.182 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.300 -7.907 -14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.533 -11.307 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.074 -10.089 -14.627 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.483 -3.399 -10.525 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.888 -2.100 -11.034 1.00 0.00 C ATOM 1606 C GLN A 109 -2.225 -1.159 -9.875 1.00 0.00 C ATOM 1607 O GLN A 109 -2.811 -1.579 -8.879 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.072 -2.232 -11.994 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.360 -2.558 -11.236 1.00 0.00 C ATOM 1610 CD GLN A 109 -5.005 -3.836 -11.776 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.730 -3.829 -12.758 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.703 -4.930 -11.082 1.00 0.00 N ATOM 0 H GLN A 109 -1.960 -3.691 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.055 -1.674 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.199 -1.303 -12.550 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.867 -3.015 -12.724 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.142 -2.677 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.060 -1.727 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.090 -4.865 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.085 -5.833 -11.362 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.829 0.131 -10.049 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.082 1.135 -9.030 1.00 0.00 C ATOM 1623 C PRO A 110 -3.554 1.552 -9.025 1.00 0.00 C ATOM 1624 O PRO A 110 -4.293 1.246 -9.959 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.142 2.282 -9.365 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.735 2.076 -10.815 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.132 0.665 -11.216 1.00 0.00 C ATOM 0 HA PRO A 110 -1.896 0.766 -8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.636 3.244 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.271 2.277 -8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.226 2.807 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.339 2.218 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.777 0.670 -12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.258 0.063 -11.465 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.937 2.243 -7.961 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.308 2.705 -7.822 1.00 0.00 C ATOM 1637 C TYR A 111 -5.447 4.157 -8.284 1.00 0.00 C ATOM 1638 O TYR A 111 -5.029 5.078 -7.584 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.630 2.624 -6.328 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.113 2.809 -6.001 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.056 1.989 -6.586 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.508 3.796 -5.121 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.452 2.162 -6.278 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.904 3.969 -4.813 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.807 3.144 -5.407 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.125 3.308 -5.116 1.00 0.00 O ATOM 0 H TYR A 111 -3.322 2.494 -7.187 1.00 0.00 H new ATOM 0 HA TYR A 111 -5.981 2.099 -8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.303 1.656 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.054 3.385 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.747 1.217 -7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.770 4.439 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.200 1.526 -6.728 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.227 4.737 -4.126 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.552 2.430 -5.029 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.036 4.316 -9.460 1.00 0.00 N ATOM 1657 CA TYR A 112 -6.235 5.640 -10.024 1.00 0.00 C ATOM 1658 C TYR A 112 -7.355 6.384 -9.293 1.00 0.00 C ATOM 1659 O TYR A 112 -7.195 7.548 -8.926 1.00 0.00 O ATOM 1660 CB TYR A 112 -6.652 5.420 -11.480 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.785 4.406 -12.229 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.413 4.553 -12.248 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -6.375 3.345 -12.884 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.597 3.598 -12.953 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -5.559 2.390 -13.589 1.00 0.00 C ATOM 1666 CZ TYR A 112 -4.210 2.564 -13.589 1.00 0.00 C ATOM 1667 OH TYR A 112 -3.440 1.663 -14.255 1.00 0.00 O ATOM 0 H TYR A 112 -6.382 3.550 -10.038 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.327 6.236 -9.934 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.689 5.084 -11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -6.614 6.374 -12.006 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.951 5.384 -11.735 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -7.449 3.230 -12.868 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.522 3.701 -12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -6.008 1.555 -14.106 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.013 0.979 -14.660 1.00 0.00 H new ATOM 1677 N SER A 113 -8.462 5.683 -9.102 1.00 0.00 N ATOM 1678 CA SER A 113 -9.607 6.263 -8.422 1.00 0.00 C ATOM 1679 C SER A 113 -10.104 7.491 -9.186 1.00 0.00 C ATOM 1680 O SER A 113 -9.345 8.115 -9.926 1.00 0.00 O ATOM 1681 CB SER A 113 -9.259 6.640 -6.980 1.00 0.00 C ATOM 1682 OG SER A 113 -10.422 6.907 -6.202 1.00 0.00 O ATOM 0 H SER A 113 -8.591 4.718 -9.406 1.00 0.00 H new ATOM 0 HA SER A 113 -10.400 5.516 -8.393 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.693 5.830 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.614 7.519 -6.981 1.00 0.00 H new ATOM 0 HG SER A 113 -10.157 7.142 -5.288 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.376 7.801 -8.982 1.00 0.00 N ATOM 1689 CA GLY A 114 -11.983 8.944 -9.643 1.00 0.00 C ATOM 1690 C GLY A 114 -12.362 10.026 -8.630 1.00 0.00 C ATOM 1691 O GLY A 114 -11.633 10.263 -7.668 1.00 0.00 O ATOM 0 H GLY A 114 -12.003 7.281 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.289 9.355 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.871 8.624 -10.188 1.00 0.00 H new ATOM 1695 N PRO A 115 -13.531 10.671 -8.888 1.00 0.00 N ATOM 1696 CA PRO A 115 -14.015 11.723 -8.010 1.00 0.00 C ATOM 1697 C PRO A 115 -14.583 11.138 -6.715 1.00 0.00 C ATOM 1698 O PRO A 115 -14.209 11.561 -5.622 1.00 0.00 O ATOM 1699 CB PRO A 115 -15.054 12.472 -8.829 1.00 0.00 C ATOM 1700 CG PRO A 115 -15.448 11.535 -9.959 1.00 0.00 C ATOM 1701 CD PRO A 115 -14.420 10.417 -10.018 1.00 0.00 C ATOM 0 HA PRO A 115 -13.223 12.397 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.919 12.733 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.646 13.404 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.445 11.128 -9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.482 12.073 -10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.894 9.439 -9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.875 10.430 -10.962 1.00 0.00 H new ATOM 1709 N SER A 116 -15.476 10.173 -6.881 1.00 0.00 N ATOM 1710 CA SER A 116 -16.099 9.526 -5.739 1.00 0.00 C ATOM 1711 C SER A 116 -16.896 10.549 -4.928 1.00 0.00 C ATOM 1712 O SER A 116 -16.417 11.652 -4.671 1.00 0.00 O ATOM 1713 CB SER A 116 -15.053 8.845 -4.853 1.00 0.00 C ATOM 1714 OG SER A 116 -15.063 7.429 -5.007 1.00 0.00 O ATOM 0 H SER A 116 -15.783 9.824 -7.789 1.00 0.00 H new ATOM 0 HA SER A 116 -16.778 8.758 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.063 9.229 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.242 9.097 -3.810 1.00 0.00 H new ATOM 0 HG SER A 116 -14.381 7.032 -4.426 1.00 0.00 H new ATOM 1720 N SER A 117 -18.100 10.147 -4.547 1.00 0.00 N ATOM 1721 CA SER A 117 -18.968 11.015 -3.770 1.00 0.00 C ATOM 1722 C SER A 117 -19.025 10.535 -2.318 1.00 0.00 C ATOM 1723 O SER A 117 -19.618 9.498 -2.026 1.00 0.00 O ATOM 1724 CB SER A 117 -20.375 11.064 -4.368 1.00 0.00 C ATOM 1725 OG SER A 117 -20.701 12.361 -4.861 1.00 0.00 O ATOM 0 H SER A 117 -18.495 9.231 -4.762 1.00 0.00 H new ATOM 0 HA SER A 117 -18.555 12.024 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 117 -20.450 10.339 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 117 -21.101 10.771 -3.610 1.00 0.00 H new ATOM 0 HG SER A 117 -21.606 12.350 -5.236 1.00 0.00 H new ATOM 1731 N GLY A 118 -18.399 11.313 -1.447 1.00 0.00 N ATOM 1732 CA GLY A 118 -18.372 10.980 -0.033 1.00 0.00 C ATOM 1733 C GLY A 118 -19.780 11.006 0.565 1.00 0.00 C ATOM 1734 O GLY A 118 -20.682 11.632 0.010 1.00 0.00 O ATOM 0 H GLY A 118 -17.907 12.172 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.934 9.991 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.735 11.687 0.498 1.00 0.00 H new TER 1738 GLY A 118