USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 987 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 70 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.44) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.608 K(o=-1.5,f=-7.1!) USER MOD Set 2.2: A 68 MET CE :methyl -102:sc= -0.882 (180deg=-0.0569) USER MOD Set 2.3: A 99 THR OG1 : rot -150:sc= -0.0142 USER MOD Set 3.1: A 33 THR OG1 : rot 70:sc= -1.02 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -155:sc= -0.0789 (180deg=-0.204) USER MOD Set 3.3: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 40 SER OG : rot -76:sc= 0.393 USER MOD Set 4.2: A 45 SER OG : rot 146:sc= 0.46 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0137 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.019) USER MOD Single : A 5 HIS : no HD1:sc=-0.00809 X(o=-0.0081,f=-0.00029) USER MOD Single : A 6 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00627 X(o=-0.0063,f=-0.33) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 140:sc=-0.00434 USER MOD Single : A 16 ASN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0359) USER MOD Single : A 26 THR OG1 : rot 73:sc= 0.515 USER MOD Single : A 29 SER OG : rot -21:sc= 0.0384 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.06) USER MOD Single : A 47 HIS : no HD1:sc= 0.0287 K(o=0.18,f=-2.6) USER MOD Single : A 53 GLN : amide:sc= 0.364 K(o=0.36,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= 0.00485 X(o=0.0049,f=-0.49) USER MOD Single : A 66 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.9!) USER MOD Single : A 67 ASN : amide:sc= -0.282 K(o=-0.28,f=-7.3!) USER MOD Single : A 76 ASN : amide:sc= -1.02 K(o=-1,f=-0.51) USER MOD Single : A 77 MET CE :methyl -170:sc= -0.283 (180deg=-0.546) USER MOD Single : A 78 TYR OH : rot 166:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0644) USER MOD Single : A 85 HIS : no HD1:sc= 0.107 K(o=0.11,f=-1.3) USER MOD Single : A 88 GLN : amide:sc= -0.0128 K(o=-0.013,f=-3.4!) USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= -2.68! (180deg=-5.77!) USER MOD Single : A 102 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.8) USER MOD Single : A 103 HIS : no HD1:sc= -0.906 X(o=-0.91,f=-0.7) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -3.11! K(o=-3.1!,f=-0.17) USER MOD Single : A 112 GLN : amide:sc= 0.0544 K(o=0.054,f=-6.6!) USER MOD Single : A 116 ASN : amide:sc= -0.95 K(o=-0.95,f=-0.24) USER MOD Single : A 118 LYS NZ :NH3+ 136:sc= 0.394 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 164:sc= -0.559 (180deg=-1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -120:sc= -0.254 USER MOD Single : A 125 SER OG : rot -55:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.224 -14.334 -20.183 1.00 71.13 N ATOM 2 CA MET A 1 26.425 -15.576 -20.222 1.00 20.43 C ATOM 3 C MET A 1 25.213 -15.419 -19.297 1.00 1.23 C ATOM 4 O MET A 1 25.373 -15.154 -18.098 1.00 41.12 O ATOM 5 CB MET A 1 27.280 -16.803 -19.791 1.00 41.04 C ATOM 6 CG MET A 1 26.533 -18.147 -19.812 1.00 4.30 C ATOM 7 SD MET A 1 27.508 -19.520 -19.152 1.00 43.33 S ATOM 8 CE MET A 1 28.899 -19.596 -20.286 1.00 21.11 C ATOM 0 H1 MET A 1 28.049 -14.432 -20.808 1.00 71.13 H new ATOM 0 H2 MET A 1 26.640 -13.535 -20.503 1.00 71.13 H new ATOM 0 H3 MET A 1 27.546 -14.159 -19.210 1.00 71.13 H new ATOM 0 HA MET A 1 26.088 -15.750 -21.244 1.00 20.43 H new ATOM 0 HB2 MET A 1 28.146 -16.874 -20.449 1.00 41.04 H new ATOM 0 HB3 MET A 1 27.658 -16.629 -18.784 1.00 41.04 H new ATOM 0 HG2 MET A 1 25.614 -18.053 -19.234 1.00 4.30 H new ATOM 0 HG3 MET A 1 26.242 -18.377 -20.837 1.00 4.30 H new ATOM 0 HE1 MET A 1 29.473 -20.503 -20.097 1.00 21.11 H new ATOM 0 HE2 MET A 1 28.532 -19.606 -21.312 1.00 21.11 H new ATOM 0 HE3 MET A 1 29.537 -18.725 -20.138 1.00 21.11 H new ATOM 20 N GLY A 2 24.003 -15.558 -19.873 1.00 34.23 N ATOM 21 CA GLY A 2 22.767 -15.541 -19.112 1.00 61.03 C ATOM 22 C GLY A 2 22.590 -16.828 -18.314 1.00 32.14 C ATOM 23 O GLY A 2 22.681 -17.921 -18.884 1.00 31.00 O ATOM 0 H GLY A 2 23.869 -15.684 -20.876 1.00 34.23 H new ATOM 0 HA2 GLY A 2 22.766 -14.687 -18.434 1.00 61.03 H new ATOM 0 HA3 GLY A 2 21.922 -15.411 -19.789 1.00 61.03 H new ATOM 27 N HIS A 3 22.405 -16.704 -16.985 1.00 44.21 N ATOM 28 CA HIS A 3 22.083 -17.846 -16.104 1.00 11.13 C ATOM 29 C HIS A 3 20.595 -18.239 -16.259 1.00 62.12 C ATOM 30 O HIS A 3 20.232 -19.402 -16.051 1.00 74.14 O ATOM 31 CB HIS A 3 22.400 -17.498 -14.622 1.00 35.01 C ATOM 32 CG HIS A 3 22.025 -18.593 -13.657 1.00 51.30 C ATOM 33 ND1 HIS A 3 20.878 -18.562 -12.885 1.00 52.11 N ATOM 34 CD2 HIS A 3 22.625 -19.773 -13.380 1.00 53.11 C ATOM 35 CE1 HIS A 3 20.794 -19.676 -12.188 1.00 44.34 C ATOM 36 NE2 HIS A 3 21.834 -20.430 -12.470 1.00 42.11 N ATOM 0 H HIS A 3 22.474 -15.813 -16.493 1.00 44.21 H new ATOM 0 HA HIS A 3 22.701 -18.695 -16.398 1.00 11.13 H new ATOM 0 HB2 HIS A 3 23.465 -17.288 -14.526 1.00 35.01 H new ATOM 0 HB3 HIS A 3 21.869 -16.586 -14.349 1.00 35.01 H new ATOM 0 HD2 HIS A 3 23.554 -20.132 -13.797 1.00 53.11 H new ATOM 0 HE1 HIS A 3 20.002 -19.929 -11.499 1.00 44.34 H new ATOM 0 HE2 HIS A 3 22.022 -21.352 -12.077 1.00 42.11 H new ATOM 45 N HIS A 4 19.759 -17.237 -16.621 1.00 24.43 N ATOM 46 CA HIS A 4 18.295 -17.378 -16.831 1.00 43.14 C ATOM 47 C HIS A 4 17.539 -17.578 -15.498 1.00 15.25 C ATOM 48 O HIS A 4 17.788 -18.542 -14.762 1.00 63.51 O ATOM 49 CB HIS A 4 17.918 -18.521 -17.836 1.00 61.32 C ATOM 50 CG HIS A 4 18.402 -18.337 -19.256 1.00 21.43 C ATOM 51 ND1 HIS A 4 17.554 -18.082 -20.316 1.00 61.42 N ATOM 52 CD2 HIS A 4 19.642 -18.421 -19.793 1.00 51.10 C ATOM 53 CE1 HIS A 4 18.250 -18.021 -21.433 1.00 25.03 C ATOM 54 NE2 HIS A 4 19.519 -18.226 -21.146 1.00 41.34 N ATOM 0 H HIS A 4 20.090 -16.285 -16.779 1.00 24.43 H new ATOM 0 HA HIS A 4 17.979 -16.436 -17.279 1.00 43.14 H new ATOM 0 HB2 HIS A 4 18.319 -19.460 -17.455 1.00 61.32 H new ATOM 0 HB3 HIS A 4 16.833 -18.621 -17.853 1.00 61.32 H new ATOM 0 HD2 HIS A 4 20.560 -18.607 -19.255 1.00 51.10 H new ATOM 0 HE1 HIS A 4 17.848 -17.834 -22.418 1.00 25.03 H new ATOM 0 HE2 HIS A 4 20.285 -18.238 -21.819 1.00 41.34 H new ATOM 63 N HIS A 5 16.623 -16.640 -15.192 1.00 4.30 N ATOM 64 CA HIS A 5 15.577 -16.828 -14.164 1.00 25.20 C ATOM 65 C HIS A 5 14.279 -17.234 -14.887 1.00 22.34 C ATOM 66 O HIS A 5 13.200 -16.751 -14.552 1.00 21.33 O ATOM 67 CB HIS A 5 15.363 -15.527 -13.319 1.00 4.10 C ATOM 68 CG HIS A 5 16.501 -15.165 -12.401 1.00 40.41 C ATOM 69 ND1 HIS A 5 16.316 -14.759 -11.096 1.00 1.40 N ATOM 70 CD2 HIS A 5 17.832 -15.131 -12.609 1.00 51.54 C ATOM 71 CE1 HIS A 5 17.484 -14.490 -10.549 1.00 71.52 C ATOM 72 NE2 HIS A 5 18.419 -14.706 -11.443 1.00 62.05 N ATOM 0 H HIS A 5 16.586 -15.729 -15.650 1.00 4.30 H new ATOM 0 HA HIS A 5 15.882 -17.606 -13.464 1.00 25.20 H new ATOM 0 HB2 HIS A 5 15.188 -14.695 -14.001 1.00 4.10 H new ATOM 0 HB3 HIS A 5 14.459 -15.645 -12.722 1.00 4.10 H new ATOM 0 HD2 HIS A 5 18.343 -15.390 -13.524 1.00 51.54 H new ATOM 0 HE1 HIS A 5 17.644 -14.150 -9.537 1.00 71.52 H new ATOM 0 HE2 HIS A 5 19.420 -14.579 -11.296 1.00 62.05 H new ATOM 81 N HIS A 6 14.405 -18.151 -15.873 1.00 30.13 N ATOM 82 CA HIS A 6 13.281 -18.595 -16.718 1.00 13.25 C ATOM 83 C HIS A 6 12.245 -19.321 -15.848 1.00 61.40 C ATOM 84 O HIS A 6 12.468 -20.463 -15.421 1.00 44.23 O ATOM 85 CB HIS A 6 13.803 -19.506 -17.862 1.00 62.20 C ATOM 86 CG HIS A 6 12.777 -19.873 -18.909 1.00 32.25 C ATOM 87 ND1 HIS A 6 12.850 -19.427 -20.212 1.00 52.41 N ATOM 88 CD2 HIS A 6 11.666 -20.659 -18.853 1.00 51.50 C ATOM 89 CE1 HIS A 6 11.842 -19.916 -20.907 1.00 55.23 C ATOM 90 NE2 HIS A 6 11.111 -20.667 -20.107 1.00 3.44 N ATOM 0 H HIS A 6 15.291 -18.602 -16.103 1.00 30.13 H new ATOM 0 HA HIS A 6 12.799 -17.732 -17.177 1.00 13.25 H new ATOM 0 HB2 HIS A 6 14.637 -19.004 -18.353 1.00 62.20 H new ATOM 0 HB3 HIS A 6 14.196 -20.423 -17.424 1.00 62.20 H new ATOM 0 HD2 HIS A 6 11.292 -21.179 -17.983 1.00 51.50 H new ATOM 0 HE1 HIS A 6 11.648 -19.733 -21.954 1.00 55.23 H new ATOM 0 HE2 HIS A 6 10.268 -21.173 -20.378 1.00 3.44 H new ATOM 99 N HIS A 7 11.132 -18.631 -15.572 1.00 3.44 N ATOM 100 CA HIS A 7 10.054 -19.111 -14.695 1.00 40.24 C ATOM 101 C HIS A 7 8.704 -18.945 -15.407 1.00 43.22 C ATOM 102 O HIS A 7 8.371 -17.844 -15.869 1.00 31.41 O ATOM 103 CB HIS A 7 10.056 -18.336 -13.347 1.00 64.23 C ATOM 104 CG HIS A 7 11.286 -18.562 -12.497 1.00 63.12 C ATOM 105 ND1 HIS A 7 12.053 -17.537 -11.975 1.00 31.53 N ATOM 106 CD2 HIS A 7 11.885 -19.711 -12.087 1.00 4.22 C ATOM 107 CE1 HIS A 7 13.056 -18.042 -11.285 1.00 53.41 C ATOM 108 NE2 HIS A 7 12.978 -19.356 -11.340 1.00 22.24 N ATOM 0 H HIS A 7 10.951 -17.705 -15.959 1.00 3.44 H new ATOM 0 HA HIS A 7 10.218 -20.166 -14.476 1.00 40.24 H new ATOM 0 HB2 HIS A 7 9.964 -17.270 -13.555 1.00 64.23 H new ATOM 0 HB3 HIS A 7 9.175 -18.626 -12.774 1.00 64.23 H new ATOM 0 HD2 HIS A 7 11.560 -20.717 -12.309 1.00 4.22 H new ATOM 0 HE1 HIS A 7 13.813 -17.475 -10.763 1.00 53.41 H new ATOM 0 HE2 HIS A 7 13.628 -20.006 -10.897 1.00 22.24 H new ATOM 117 N HIS A 8 7.957 -20.055 -15.520 1.00 40.12 N ATOM 118 CA HIS A 8 6.582 -20.059 -16.047 1.00 11.13 C ATOM 119 C HIS A 8 5.631 -19.421 -15.032 1.00 73.44 C ATOM 120 O HIS A 8 4.681 -18.735 -15.410 1.00 33.34 O ATOM 121 CB HIS A 8 6.104 -21.497 -16.359 1.00 55.24 C ATOM 122 CG HIS A 8 6.781 -22.131 -17.542 1.00 55.15 C ATOM 123 ND1 HIS A 8 6.312 -21.990 -18.829 1.00 55.34 N ATOM 124 CD2 HIS A 8 7.886 -22.906 -17.632 1.00 24.23 C ATOM 125 CE1 HIS A 8 7.100 -22.641 -19.656 1.00 61.42 C ATOM 126 NE2 HIS A 8 8.064 -23.205 -18.960 1.00 11.42 N ATOM 0 H HIS A 8 8.291 -20.979 -15.247 1.00 40.12 H new ATOM 0 HA HIS A 8 6.578 -19.483 -16.973 1.00 11.13 H new ATOM 0 HB2 HIS A 8 6.272 -22.121 -15.482 1.00 55.24 H new ATOM 0 HB3 HIS A 8 5.029 -21.479 -16.537 1.00 55.24 H new ATOM 0 HD2 HIS A 8 8.511 -23.229 -16.813 1.00 24.23 H new ATOM 0 HE1 HIS A 8 6.977 -22.703 -20.727 1.00 61.42 H new ATOM 0 HE2 HIS A 8 8.820 -23.772 -19.344 1.00 11.42 H new ATOM 135 N SER A 9 5.889 -19.716 -13.742 1.00 4.24 N ATOM 136 CA SER A 9 5.149 -19.150 -12.593 1.00 63.41 C ATOM 137 C SER A 9 3.646 -19.525 -12.593 1.00 70.52 C ATOM 138 O SER A 9 2.846 -18.921 -11.861 1.00 62.41 O ATOM 139 CB SER A 9 5.356 -17.616 -12.533 1.00 25.44 C ATOM 140 OG SER A 9 6.738 -17.293 -12.505 1.00 4.12 O ATOM 0 H SER A 9 6.627 -20.363 -13.464 1.00 4.24 H new ATOM 0 HA SER A 9 5.561 -19.598 -11.689 1.00 63.41 H new ATOM 0 HB2 SER A 9 4.886 -17.147 -13.398 1.00 25.44 H new ATOM 0 HB3 SER A 9 4.866 -17.213 -11.647 1.00 25.44 H new ATOM 0 HG SER A 9 6.846 -16.320 -12.469 1.00 4.12 H new ATOM 146 N HIS A 10 3.285 -20.566 -13.372 1.00 74.50 N ATOM 147 CA HIS A 10 1.884 -21.006 -13.529 1.00 15.14 C ATOM 148 C HIS A 10 1.496 -22.057 -12.475 1.00 73.42 C ATOM 149 O HIS A 10 0.308 -22.313 -12.258 1.00 34.11 O ATOM 150 CB HIS A 10 1.600 -21.513 -14.972 1.00 3.03 C ATOM 151 CG HIS A 10 2.259 -22.810 -15.401 1.00 4.41 C ATOM 152 ND1 HIS A 10 1.734 -23.611 -16.396 1.00 65.34 N ATOM 153 CD2 HIS A 10 3.414 -23.417 -15.022 1.00 52.12 C ATOM 154 CE1 HIS A 10 2.532 -24.637 -16.610 1.00 54.52 C ATOM 155 NE2 HIS A 10 3.557 -24.545 -15.789 1.00 73.33 N ATOM 0 H HIS A 10 3.952 -21.122 -13.907 1.00 74.50 H new ATOM 0 HA HIS A 10 1.253 -20.133 -13.362 1.00 15.14 H new ATOM 0 HB2 HIS A 10 0.522 -21.631 -15.081 1.00 3.03 H new ATOM 0 HB3 HIS A 10 1.907 -20.733 -15.669 1.00 3.03 H new ATOM 0 HD2 HIS A 10 4.095 -23.074 -14.257 1.00 52.12 H new ATOM 0 HE1 HIS A 10 2.372 -25.421 -17.336 1.00 54.52 H new ATOM 0 HE2 HIS A 10 4.332 -25.206 -15.732 1.00 73.33 H new ATOM 164 N MET A 11 2.510 -22.667 -11.838 1.00 21.22 N ATOM 165 CA MET A 11 2.302 -23.623 -10.734 1.00 34.35 C ATOM 166 C MET A 11 1.907 -22.879 -9.450 1.00 52.11 C ATOM 167 O MET A 11 2.288 -21.723 -9.255 1.00 32.02 O ATOM 168 CB MET A 11 3.576 -24.486 -10.490 1.00 2.43 C ATOM 169 CG MET A 11 3.919 -25.422 -11.646 1.00 12.45 C ATOM 170 SD MET A 11 5.289 -26.537 -11.272 1.00 35.30 S ATOM 171 CE MET A 11 5.269 -27.603 -12.717 1.00 73.11 C ATOM 0 H MET A 11 3.491 -22.514 -12.071 1.00 21.22 H new ATOM 0 HA MET A 11 1.490 -24.293 -11.017 1.00 34.35 H new ATOM 0 HB2 MET A 11 4.422 -23.824 -10.308 1.00 2.43 H new ATOM 0 HB3 MET A 11 3.434 -25.078 -9.586 1.00 2.43 H new ATOM 0 HG2 MET A 11 3.038 -26.011 -11.902 1.00 12.45 H new ATOM 0 HG3 MET A 11 4.171 -24.828 -12.524 1.00 12.45 H new ATOM 0 HE1 MET A 11 6.061 -28.346 -12.632 1.00 73.11 H new ATOM 0 HE2 MET A 11 4.305 -28.107 -12.784 1.00 73.11 H new ATOM 0 HE3 MET A 11 5.429 -27.004 -13.613 1.00 73.11 H new ATOM 181 N ALA A 12 1.184 -23.574 -8.555 1.00 31.41 N ATOM 182 CA ALA A 12 0.672 -22.990 -7.292 1.00 14.23 C ATOM 183 C ALA A 12 1.764 -22.890 -6.203 1.00 61.31 C ATOM 184 O ALA A 12 1.455 -22.713 -5.023 1.00 31.14 O ATOM 185 CB ALA A 12 -0.540 -23.800 -6.796 1.00 3.31 C ATOM 0 H ALA A 12 0.936 -24.555 -8.682 1.00 31.41 H new ATOM 0 HA ALA A 12 0.356 -21.968 -7.501 1.00 14.23 H new ATOM 0 HB1 ALA A 12 -0.912 -23.366 -5.868 1.00 3.31 H new ATOM 0 HB2 ALA A 12 -1.327 -23.775 -7.549 1.00 3.31 H new ATOM 0 HB3 ALA A 12 -0.240 -24.833 -6.619 1.00 3.31 H new ATOM 191 N GLY A 13 3.036 -23.033 -6.610 1.00 42.23 N ATOM 192 CA GLY A 13 4.186 -22.726 -5.767 1.00 62.35 C ATOM 193 C GLY A 13 4.900 -21.468 -6.250 1.00 1.42 C ATOM 194 O GLY A 13 5.860 -21.581 -7.021 1.00 72.22 O ATOM 0 H GLY A 13 3.289 -23.367 -7.540 1.00 42.23 H new ATOM 0 HA2 GLY A 13 3.859 -22.589 -4.736 1.00 62.35 H new ATOM 0 HA3 GLY A 13 4.880 -23.567 -5.773 1.00 62.35 H new ATOM 198 N PRO A 14 4.440 -20.235 -5.847 1.00 13.42 N ATOM 199 CA PRO A 14 5.046 -18.968 -6.291 1.00 72.31 C ATOM 200 C PRO A 14 6.195 -18.525 -5.360 1.00 13.13 C ATOM 201 O PRO A 14 6.796 -19.357 -4.659 1.00 4.33 O ATOM 202 CB PRO A 14 3.824 -18.012 -6.226 1.00 1.52 C ATOM 203 CG PRO A 14 3.056 -18.468 -5.028 1.00 22.34 C ATOM 204 CD PRO A 14 3.309 -19.968 -4.906 1.00 32.24 C ATOM 0 HA PRO A 14 5.517 -19.012 -7.273 1.00 72.31 H new ATOM 0 HB2 PRO A 14 4.138 -16.973 -6.125 1.00 1.52 H new ATOM 0 HB3 PRO A 14 3.221 -18.076 -7.132 1.00 1.52 H new ATOM 0 HG2 PRO A 14 3.386 -17.943 -4.131 1.00 22.34 H new ATOM 0 HG3 PRO A 14 1.992 -18.261 -5.145 1.00 22.34 H new ATOM 0 HD2 PRO A 14 3.569 -20.245 -3.884 1.00 32.24 H new ATOM 0 HD3 PRO A 14 2.423 -20.543 -5.176 1.00 32.24 H new ATOM 212 N SER A 15 6.506 -17.221 -5.379 1.00 42.23 N ATOM 213 CA SER A 15 7.428 -16.608 -4.416 1.00 45.45 C ATOM 214 C SER A 15 6.817 -16.626 -3.004 1.00 32.31 C ATOM 215 O SER A 15 5.591 -16.738 -2.844 1.00 63.11 O ATOM 216 CB SER A 15 7.785 -15.175 -4.871 1.00 34.34 C ATOM 217 OG SER A 15 8.526 -15.212 -6.071 1.00 52.00 O ATOM 0 H SER A 15 6.126 -16.564 -6.061 1.00 42.23 H new ATOM 0 HA SER A 15 8.351 -17.186 -4.378 1.00 45.45 H new ATOM 0 HB2 SER A 15 6.874 -14.595 -5.016 1.00 34.34 H new ATOM 0 HB3 SER A 15 8.362 -14.673 -4.095 1.00 34.34 H new ATOM 0 HG SER A 15 8.229 -14.488 -6.661 1.00 52.00 H new ATOM 223 N ASN A 16 7.682 -16.487 -1.992 1.00 53.44 N ATOM 224 CA ASN A 16 7.322 -16.601 -0.554 1.00 31.10 C ATOM 225 C ASN A 16 6.785 -15.262 -0.018 1.00 40.42 C ATOM 226 O ASN A 16 7.066 -14.869 1.121 1.00 72.21 O ATOM 227 CB ASN A 16 8.586 -17.049 0.237 1.00 43.22 C ATOM 228 CG ASN A 16 9.158 -18.369 -0.272 1.00 24.23 C ATOM 229 OD1 ASN A 16 8.835 -19.440 0.242 1.00 41.04 O ATOM 230 ND2 ASN A 16 9.980 -18.299 -1.309 1.00 53.44 N ATOM 0 H ASN A 16 8.671 -16.289 -2.141 1.00 53.44 H new ATOM 0 HA ASN A 16 6.531 -17.340 -0.430 1.00 31.10 H new ATOM 0 HB2 ASN A 16 9.349 -16.274 0.164 1.00 43.22 H new ATOM 0 HB3 ASN A 16 8.333 -17.150 1.292 1.00 43.22 H new ATOM 0 HD21 ASN A 16 10.369 -19.152 -1.710 1.00 53.44 H new ATOM 0 HD22 ASN A 16 10.223 -17.392 -1.707 1.00 53.44 H new ATOM 237 N VAL A 17 5.973 -14.597 -0.843 1.00 63.12 N ATOM 238 CA VAL A 17 5.457 -13.256 -0.576 1.00 53.23 C ATOM 239 C VAL A 17 4.467 -13.287 0.609 1.00 65.24 C ATOM 240 O VAL A 17 3.491 -14.046 0.551 1.00 40.32 O ATOM 241 CB VAL A 17 4.745 -12.676 -1.859 1.00 72.51 C ATOM 242 CG1 VAL A 17 4.176 -11.264 -1.603 1.00 23.20 C ATOM 243 CG2 VAL A 17 5.709 -12.680 -3.061 1.00 21.04 C ATOM 0 H VAL A 17 5.651 -14.984 -1.730 1.00 63.12 H new ATOM 0 HA VAL A 17 6.295 -12.609 -0.317 1.00 53.23 H new ATOM 0 HB VAL A 17 3.901 -13.324 -2.096 1.00 72.51 H new ATOM 0 HG11 VAL A 17 3.693 -10.897 -2.509 1.00 23.20 H new ATOM 0 HG12 VAL A 17 3.446 -11.307 -0.794 1.00 23.20 H new ATOM 0 HG13 VAL A 17 4.986 -10.590 -1.325 1.00 23.20 H new ATOM 0 HG21 VAL A 17 5.200 -12.277 -3.937 1.00 21.04 H new ATOM 0 HG22 VAL A 17 6.579 -12.065 -2.831 1.00 21.04 H new ATOM 0 HG23 VAL A 17 6.030 -13.701 -3.266 1.00 21.04 H new ATOM 253 N PRO A 18 4.711 -12.494 1.713 1.00 31.32 N ATOM 254 CA PRO A 18 3.757 -12.375 2.850 1.00 40.30 C ATOM 255 C PRO A 18 2.336 -12.008 2.372 1.00 53.32 C ATOM 256 O PRO A 18 2.191 -11.273 1.380 1.00 23.31 O ATOM 257 CB PRO A 18 4.375 -11.241 3.718 1.00 64.14 C ATOM 258 CG PRO A 18 5.838 -11.308 3.418 1.00 23.43 C ATOM 259 CD PRO A 18 5.930 -11.680 1.950 1.00 3.35 C ATOM 0 HA PRO A 18 3.633 -13.311 3.394 1.00 40.30 H new ATOM 0 HB2 PRO A 18 3.959 -10.268 3.457 1.00 64.14 H new ATOM 0 HB3 PRO A 18 4.178 -11.398 4.778 1.00 64.14 H new ATOM 0 HG2 PRO A 18 6.323 -10.352 3.612 1.00 23.43 H new ATOM 0 HG3 PRO A 18 6.334 -12.050 4.044 1.00 23.43 H new ATOM 0 HD2 PRO A 18 5.950 -10.795 1.314 1.00 3.35 H new ATOM 0 HD3 PRO A 18 6.837 -12.246 1.737 1.00 3.35 H new ATOM 267 N ALA A 19 1.307 -12.532 3.070 1.00 20.30 N ATOM 268 CA ALA A 19 -0.112 -12.352 2.700 1.00 75.21 C ATOM 269 C ALA A 19 -0.482 -10.864 2.540 1.00 70.54 C ATOM 270 O ALA A 19 -1.217 -10.502 1.623 1.00 14.31 O ATOM 271 CB ALA A 19 -1.010 -13.018 3.745 1.00 4.23 C ATOM 0 H ALA A 19 1.438 -13.095 3.911 1.00 20.30 H new ATOM 0 HA ALA A 19 -0.268 -12.828 1.732 1.00 75.21 H new ATOM 0 HB1 ALA A 19 -2.055 -12.882 3.467 1.00 4.23 H new ATOM 0 HB2 ALA A 19 -0.783 -14.083 3.794 1.00 4.23 H new ATOM 0 HB3 ALA A 19 -0.832 -12.564 4.720 1.00 4.23 H new ATOM 277 N PHE A 20 0.044 -10.028 3.454 1.00 12.42 N ATOM 278 CA PHE A 20 -0.084 -8.559 3.391 1.00 22.53 C ATOM 279 C PHE A 20 0.383 -8.000 2.032 1.00 32.43 C ATOM 280 O PHE A 20 -0.331 -7.224 1.402 1.00 55.43 O ATOM 281 CB PHE A 20 0.726 -7.905 4.549 1.00 52.00 C ATOM 282 CG PHE A 20 0.624 -6.376 4.632 1.00 11.32 C ATOM 283 CD1 PHE A 20 1.477 -5.557 3.888 1.00 1.31 C ATOM 284 CD2 PHE A 20 -0.325 -5.759 5.445 1.00 21.12 C ATOM 285 CE1 PHE A 20 1.384 -4.186 3.950 1.00 52.34 C ATOM 286 CE2 PHE A 20 -0.414 -4.381 5.509 1.00 21.11 C ATOM 287 CZ PHE A 20 0.441 -3.594 4.758 1.00 11.11 C ATOM 0 H PHE A 20 0.573 -10.354 4.263 1.00 12.42 H new ATOM 0 HA PHE A 20 -1.140 -8.312 3.501 1.00 22.53 H new ATOM 0 HB2 PHE A 20 0.385 -8.328 5.494 1.00 52.00 H new ATOM 0 HB3 PHE A 20 1.775 -8.178 4.437 1.00 52.00 H new ATOM 0 HD1 PHE A 20 2.224 -6.009 3.252 1.00 1.31 H new ATOM 0 HD2 PHE A 20 -0.999 -6.365 6.032 1.00 21.12 H new ATOM 0 HE1 PHE A 20 2.052 -3.573 3.363 1.00 52.34 H new ATOM 0 HE2 PHE A 20 -1.152 -3.918 6.147 1.00 21.11 H new ATOM 0 HZ PHE A 20 0.368 -2.518 4.806 1.00 11.11 H new ATOM 297 N LEU A 21 1.581 -8.423 1.596 1.00 11.02 N ATOM 298 CA LEU A 21 2.265 -7.836 0.422 1.00 52.35 C ATOM 299 C LEU A 21 1.675 -8.338 -0.910 1.00 52.14 C ATOM 300 O LEU A 21 1.710 -7.611 -1.903 1.00 51.01 O ATOM 301 CB LEU A 21 3.793 -8.118 0.481 1.00 34.13 C ATOM 302 CG LEU A 21 4.581 -7.405 1.626 1.00 60.34 C ATOM 303 CD1 LEU A 21 6.061 -7.838 1.625 1.00 22.22 C ATOM 304 CD2 LEU A 21 4.451 -5.867 1.529 1.00 54.20 C ATOM 0 H LEU A 21 2.104 -9.177 2.042 1.00 11.02 H new ATOM 0 HA LEU A 21 2.101 -6.759 0.462 1.00 52.35 H new ATOM 0 HB2 LEU A 21 3.939 -9.193 0.582 1.00 34.13 H new ATOM 0 HB3 LEU A 21 4.233 -7.825 -0.472 1.00 34.13 H new ATOM 0 HG LEU A 21 4.139 -7.711 2.574 1.00 60.34 H new ATOM 0 HD11 LEU A 21 6.590 -7.329 2.431 1.00 22.22 H new ATOM 0 HD12 LEU A 21 6.125 -8.916 1.774 1.00 22.22 H new ATOM 0 HD13 LEU A 21 6.516 -7.576 0.670 1.00 22.22 H new ATOM 0 HD21 LEU A 21 5.011 -5.403 2.341 1.00 54.20 H new ATOM 0 HD22 LEU A 21 4.849 -5.528 0.573 1.00 54.20 H new ATOM 0 HD23 LEU A 21 3.401 -5.585 1.605 1.00 54.20 H new ATOM 316 N THR A 22 1.165 -9.585 -0.936 1.00 20.45 N ATOM 317 CA THR A 22 0.514 -10.139 -2.138 1.00 75.42 C ATOM 318 C THR A 22 -0.906 -9.552 -2.319 1.00 52.55 C ATOM 319 O THR A 22 -1.353 -9.330 -3.454 1.00 5.13 O ATOM 320 CB THR A 22 0.477 -11.709 -2.126 1.00 14.43 C ATOM 321 OG1 THR A 22 0.060 -12.214 -3.410 1.00 30.55 O ATOM 322 CG2 THR A 22 -0.456 -12.276 -1.053 1.00 12.01 C ATOM 0 H THR A 22 1.191 -10.225 -0.142 1.00 20.45 H new ATOM 0 HA THR A 22 1.120 -9.842 -2.994 1.00 75.42 H new ATOM 0 HB THR A 22 1.492 -12.033 -1.897 1.00 14.43 H new ATOM 0 HG1 THR A 22 0.044 -13.194 -3.387 1.00 30.55 H new ATOM 0 HG21 THR A 22 -0.439 -13.365 -1.094 1.00 12.01 H new ATOM 0 HG22 THR A 22 -0.123 -11.945 -0.069 1.00 12.01 H new ATOM 0 HG23 THR A 22 -1.472 -11.922 -1.230 1.00 12.01 H new ATOM 330 N LYS A 23 -1.603 -9.280 -1.192 1.00 44.32 N ATOM 331 CA LYS A 23 -2.915 -8.609 -1.212 1.00 3.24 C ATOM 332 C LYS A 23 -2.745 -7.136 -1.593 1.00 62.23 C ATOM 333 O LYS A 23 -3.561 -6.601 -2.335 1.00 3.34 O ATOM 334 CB LYS A 23 -3.638 -8.751 0.161 1.00 71.33 C ATOM 335 CG LYS A 23 -4.181 -10.170 0.493 1.00 22.23 C ATOM 336 CD LYS A 23 -5.616 -10.462 -0.044 1.00 14.11 C ATOM 337 CE LYS A 23 -5.727 -10.549 -1.579 1.00 43.33 C ATOM 338 NZ LYS A 23 -4.889 -11.640 -2.145 1.00 14.34 N ATOM 0 H LYS A 23 -1.274 -9.518 -0.256 1.00 44.32 H new ATOM 0 HA LYS A 23 -3.540 -9.092 -1.963 1.00 3.24 H new ATOM 0 HB2 LYS A 23 -2.945 -8.454 0.948 1.00 71.33 H new ATOM 0 HB3 LYS A 23 -4.471 -8.048 0.187 1.00 71.33 H new ATOM 0 HG2 LYS A 23 -3.496 -10.911 0.081 1.00 22.23 H new ATOM 0 HG3 LYS A 23 -4.179 -10.301 1.575 1.00 22.23 H new ATOM 0 HD2 LYS A 23 -5.965 -11.401 0.385 1.00 14.11 H new ATOM 0 HD3 LYS A 23 -6.288 -9.680 0.311 1.00 14.11 H new ATOM 0 HE2 LYS A 23 -6.768 -10.712 -1.857 1.00 43.33 H new ATOM 0 HE3 LYS A 23 -5.425 -9.598 -2.017 1.00 43.33 H new ATOM 0 HZ1 LYS A 23 -5.073 -11.726 -3.165 1.00 14.34 H new ATOM 0 HZ2 LYS A 23 -3.884 -11.421 -1.992 1.00 14.34 H new ATOM 0 HZ3 LYS A 23 -5.123 -12.537 -1.674 1.00 14.34 H new ATOM 352 N LEU A 24 -1.677 -6.508 -1.066 1.00 3.10 N ATOM 353 CA LEU A 24 -1.286 -5.132 -1.414 1.00 63.42 C ATOM 354 C LEU A 24 -0.941 -5.023 -2.915 1.00 22.23 C ATOM 355 O LEU A 24 -1.357 -4.081 -3.581 1.00 1.11 O ATOM 356 CB LEU A 24 -0.083 -4.672 -0.538 1.00 5.44 C ATOM 357 CG LEU A 24 0.434 -3.216 -0.766 1.00 34.44 C ATOM 358 CD1 LEU A 24 -0.673 -2.161 -0.520 1.00 71.41 C ATOM 359 CD2 LEU A 24 1.686 -2.929 0.098 1.00 22.54 C ATOM 0 H LEU A 24 -1.059 -6.945 -0.383 1.00 3.10 H new ATOM 0 HA LEU A 24 -2.131 -4.474 -1.213 1.00 63.42 H new ATOM 0 HB2 LEU A 24 -0.367 -4.772 0.510 1.00 5.44 H new ATOM 0 HB3 LEU A 24 0.746 -5.358 -0.711 1.00 5.44 H new ATOM 0 HG LEU A 24 0.722 -3.136 -1.814 1.00 34.44 H new ATOM 0 HD11 LEU A 24 -0.269 -1.163 -0.690 1.00 71.41 H new ATOM 0 HD12 LEU A 24 -1.503 -2.338 -1.204 1.00 71.41 H new ATOM 0 HD13 LEU A 24 -1.028 -2.239 0.508 1.00 71.41 H new ATOM 0 HD21 LEU A 24 2.025 -1.909 -0.080 1.00 22.54 H new ATOM 0 HD22 LEU A 24 1.436 -3.049 1.152 1.00 22.54 H new ATOM 0 HD23 LEU A 24 2.480 -3.627 -0.169 1.00 22.54 H new ATOM 371 N TRP A 25 -0.193 -6.013 -3.428 1.00 45.33 N ATOM 372 CA TRP A 25 0.201 -6.107 -4.852 1.00 35.40 C ATOM 373 C TRP A 25 -1.045 -6.102 -5.773 1.00 43.51 C ATOM 374 O TRP A 25 -1.105 -5.358 -6.768 1.00 52.54 O ATOM 375 CB TRP A 25 1.026 -7.403 -5.051 1.00 14.13 C ATOM 376 CG TRP A 25 1.630 -7.577 -6.423 1.00 24.02 C ATOM 377 CD1 TRP A 25 1.154 -8.343 -7.451 1.00 71.20 C ATOM 378 CD2 TRP A 25 2.844 -6.985 -6.897 1.00 33.15 C ATOM 379 NE1 TRP A 25 1.993 -8.254 -8.530 1.00 51.13 N ATOM 380 CE2 TRP A 25 3.042 -7.439 -8.208 1.00 62.42 C ATOM 381 CE3 TRP A 25 3.784 -6.119 -6.329 1.00 31.42 C ATOM 382 CZ2 TRP A 25 4.142 -7.056 -8.962 1.00 21.21 C ATOM 383 CZ3 TRP A 25 4.876 -5.742 -7.074 1.00 61.02 C ATOM 384 CH2 TRP A 25 5.048 -6.211 -8.377 1.00 4.41 C ATOM 0 H TRP A 25 0.162 -6.783 -2.862 1.00 45.33 H new ATOM 0 HA TRP A 25 0.806 -5.241 -5.121 1.00 35.40 H new ATOM 0 HB2 TRP A 25 1.829 -7.420 -4.314 1.00 14.13 H new ATOM 0 HB3 TRP A 25 0.384 -8.259 -4.843 1.00 14.13 H new ATOM 0 HD1 TRP A 25 0.249 -8.932 -7.417 1.00 71.20 H new ATOM 0 HE1 TRP A 25 1.857 -8.720 -9.427 1.00 51.13 H new ATOM 0 HE3 TRP A 25 3.654 -5.752 -5.321 1.00 31.42 H new ATOM 0 HZ2 TRP A 25 4.279 -7.411 -9.973 1.00 21.21 H new ATOM 0 HZ3 TRP A 25 5.610 -5.075 -6.646 1.00 61.02 H new ATOM 0 HH2 TRP A 25 5.917 -5.900 -8.938 1.00 4.41 H new ATOM 395 N THR A 26 -2.030 -6.944 -5.404 1.00 51.13 N ATOM 396 CA THR A 26 -3.340 -7.013 -6.078 1.00 71.01 C ATOM 397 C THR A 26 -4.107 -5.679 -5.933 1.00 34.31 C ATOM 398 O THR A 26 -4.673 -5.180 -6.902 1.00 32.51 O ATOM 399 CB THR A 26 -4.203 -8.182 -5.488 1.00 31.55 C ATOM 400 OG1 THR A 26 -3.457 -9.410 -5.566 1.00 13.34 O ATOM 401 CG2 THR A 26 -5.549 -8.368 -6.229 1.00 23.55 C ATOM 0 H THR A 26 -1.938 -7.598 -4.627 1.00 51.13 H new ATOM 0 HA THR A 26 -3.159 -7.201 -7.136 1.00 71.01 H new ATOM 0 HB THR A 26 -4.429 -7.922 -4.454 1.00 31.55 H new ATOM 0 HG1 THR A 26 -2.745 -9.404 -4.893 1.00 13.34 H new ATOM 0 HG21 THR A 26 -6.103 -9.191 -5.777 1.00 23.55 H new ATOM 0 HG22 THR A 26 -6.135 -7.452 -6.154 1.00 23.55 H new ATOM 0 HG23 THR A 26 -5.359 -8.592 -7.278 1.00 23.55 H new ATOM 409 N LEU A 27 -4.056 -5.116 -4.713 1.00 71.41 N ATOM 410 CA LEU A 27 -4.829 -3.932 -4.284 1.00 35.03 C ATOM 411 C LEU A 27 -4.479 -2.668 -5.102 1.00 42.40 C ATOM 412 O LEU A 27 -5.373 -1.999 -5.645 1.00 55.43 O ATOM 413 CB LEU A 27 -4.545 -3.713 -2.765 1.00 40.03 C ATOM 414 CG LEU A 27 -4.990 -2.378 -2.124 1.00 51.22 C ATOM 415 CD1 LEU A 27 -6.486 -2.136 -2.331 1.00 64.11 C ATOM 416 CD2 LEU A 27 -4.595 -2.325 -0.622 1.00 33.32 C ATOM 0 H LEU A 27 -3.457 -5.483 -3.973 1.00 71.41 H new ATOM 0 HA LEU A 27 -5.890 -4.111 -4.459 1.00 35.03 H new ATOM 0 HB2 LEU A 27 -5.026 -4.523 -2.216 1.00 40.03 H new ATOM 0 HB3 LEU A 27 -3.471 -3.816 -2.609 1.00 40.03 H new ATOM 0 HG LEU A 27 -4.463 -1.567 -2.627 1.00 51.22 H new ATOM 0 HD11 LEU A 27 -6.769 -1.190 -1.869 1.00 64.11 H new ATOM 0 HD12 LEU A 27 -6.704 -2.099 -3.398 1.00 64.11 H new ATOM 0 HD13 LEU A 27 -7.053 -2.947 -1.873 1.00 64.11 H new ATOM 0 HD21 LEU A 27 -4.919 -1.376 -0.194 1.00 33.32 H new ATOM 0 HD22 LEU A 27 -5.076 -3.146 -0.090 1.00 33.32 H new ATOM 0 HD23 LEU A 27 -3.513 -2.415 -0.527 1.00 33.32 H new ATOM 428 N VAL A 28 -3.177 -2.342 -5.165 1.00 44.54 N ATOM 429 CA VAL A 28 -2.674 -1.162 -5.904 1.00 1.22 C ATOM 430 C VAL A 28 -3.059 -1.228 -7.407 1.00 40.42 C ATOM 431 O VAL A 28 -3.335 -0.207 -8.043 1.00 74.03 O ATOM 432 CB VAL A 28 -1.104 -1.021 -5.770 1.00 30.54 C ATOM 433 CG1 VAL A 28 -0.619 0.292 -6.394 1.00 44.33 C ATOM 434 CG2 VAL A 28 -0.621 -1.110 -4.306 1.00 43.24 C ATOM 0 H VAL A 28 -2.443 -2.884 -4.709 1.00 44.54 H new ATOM 0 HA VAL A 28 -3.146 -0.287 -5.456 1.00 1.22 H new ATOM 0 HB VAL A 28 -0.673 -1.863 -6.311 1.00 30.54 H new ATOM 0 HG11 VAL A 28 0.463 0.366 -6.290 1.00 44.33 H new ATOM 0 HG12 VAL A 28 -0.884 0.312 -7.451 1.00 44.33 H new ATOM 0 HG13 VAL A 28 -1.091 1.133 -5.886 1.00 44.33 H new ATOM 0 HG21 VAL A 28 0.464 -1.007 -4.274 1.00 43.24 H new ATOM 0 HG22 VAL A 28 -1.079 -0.311 -3.723 1.00 43.24 H new ATOM 0 HG23 VAL A 28 -0.906 -2.075 -3.887 1.00 43.24 H new ATOM 444 N SER A 29 -3.092 -2.453 -7.937 1.00 65.41 N ATOM 445 CA SER A 29 -3.368 -2.731 -9.357 1.00 51.32 C ATOM 446 C SER A 29 -4.882 -2.855 -9.629 1.00 65.04 C ATOM 447 O SER A 29 -5.319 -2.784 -10.783 1.00 1.31 O ATOM 448 CB SER A 29 -2.635 -4.034 -9.749 1.00 41.23 C ATOM 449 OG SER A 29 -2.802 -4.369 -11.122 1.00 51.34 O ATOM 0 H SER A 29 -2.926 -3.296 -7.387 1.00 65.41 H new ATOM 0 HA SER A 29 -3.006 -1.899 -9.962 1.00 51.32 H new ATOM 0 HB2 SER A 29 -1.572 -3.927 -9.533 1.00 41.23 H new ATOM 0 HB3 SER A 29 -3.005 -4.853 -9.132 1.00 41.23 H new ATOM 0 HG SER A 29 -3.598 -3.918 -11.474 1.00 51.34 H new ATOM 455 N ASP A 30 -5.682 -3.033 -8.562 1.00 41.33 N ATOM 456 CA ASP A 30 -7.126 -3.337 -8.685 1.00 23.23 C ATOM 457 C ASP A 30 -7.934 -2.068 -9.066 1.00 64.25 C ATOM 458 O ASP A 30 -7.813 -1.048 -8.388 1.00 15.12 O ATOM 459 CB ASP A 30 -7.653 -3.959 -7.358 1.00 3.12 C ATOM 460 CG ASP A 30 -9.128 -4.373 -7.439 1.00 20.10 C ATOM 461 OD1 ASP A 30 -9.425 -5.509 -7.886 1.00 62.04 O ATOM 462 OD2 ASP A 30 -10.007 -3.569 -7.074 1.00 63.55 O ATOM 0 H ASP A 30 -5.354 -2.972 -7.598 1.00 41.33 H new ATOM 0 HA ASP A 30 -7.261 -4.062 -9.487 1.00 23.23 H new ATOM 0 HB2 ASP A 30 -7.049 -4.831 -7.106 1.00 3.12 H new ATOM 0 HB3 ASP A 30 -7.526 -3.239 -6.549 1.00 3.12 H new ATOM 467 N PRO A 31 -8.775 -2.121 -10.165 1.00 45.02 N ATOM 468 CA PRO A 31 -9.516 -0.938 -10.682 1.00 55.10 C ATOM 469 C PRO A 31 -10.603 -0.386 -9.719 1.00 52.55 C ATOM 470 O PRO A 31 -10.866 0.821 -9.719 1.00 44.35 O ATOM 471 CB PRO A 31 -10.130 -1.447 -12.014 1.00 44.25 C ATOM 472 CG PRO A 31 -10.223 -2.928 -11.856 1.00 0.53 C ATOM 473 CD PRO A 31 -9.035 -3.325 -11.008 1.00 44.25 C ATOM 0 HA PRO A 31 -8.851 -0.083 -10.804 1.00 55.10 H new ATOM 0 HB2 PRO A 31 -11.111 -1.007 -12.190 1.00 44.25 H new ATOM 0 HB3 PRO A 31 -9.504 -1.180 -12.865 1.00 44.25 H new ATOM 0 HG2 PRO A 31 -11.159 -3.212 -11.376 1.00 0.53 H new ATOM 0 HG3 PRO A 31 -10.197 -3.427 -12.825 1.00 0.53 H new ATOM 0 HD2 PRO A 31 -9.255 -4.200 -10.397 1.00 44.25 H new ATOM 0 HD3 PRO A 31 -8.171 -3.575 -11.624 1.00 44.25 H new ATOM 481 N ASP A 32 -11.222 -1.267 -8.898 1.00 62.20 N ATOM 482 CA ASP A 32 -12.255 -0.849 -7.909 1.00 62.42 C ATOM 483 C ASP A 32 -11.639 0.058 -6.836 1.00 71.50 C ATOM 484 O ASP A 32 -12.249 1.047 -6.395 1.00 32.41 O ATOM 485 CB ASP A 32 -12.925 -2.084 -7.241 1.00 20.13 C ATOM 486 CG ASP A 32 -13.918 -1.718 -6.116 1.00 21.43 C ATOM 487 OD1 ASP A 32 -15.103 -1.441 -6.417 1.00 33.54 O ATOM 488 OD2 ASP A 32 -13.523 -1.702 -4.921 1.00 1.03 O ATOM 0 H ASP A 32 -11.028 -2.268 -8.897 1.00 62.20 H new ATOM 0 HA ASP A 32 -13.022 -0.291 -8.446 1.00 62.42 H new ATOM 0 HB2 ASP A 32 -13.450 -2.659 -8.004 1.00 20.13 H new ATOM 0 HB3 ASP A 32 -12.149 -2.731 -6.832 1.00 20.13 H new ATOM 493 N THR A 33 -10.408 -0.286 -6.447 1.00 71.44 N ATOM 494 CA THR A 33 -9.684 0.386 -5.368 1.00 31.43 C ATOM 495 C THR A 33 -8.640 1.375 -5.918 1.00 11.23 C ATOM 496 O THR A 33 -8.012 2.087 -5.139 1.00 23.23 O ATOM 497 CB THR A 33 -9.022 -0.670 -4.440 1.00 61.23 C ATOM 498 OG1 THR A 33 -8.225 -1.565 -5.218 1.00 4.01 O ATOM 499 CG2 THR A 33 -10.072 -1.482 -3.653 1.00 1.52 C ATOM 0 H THR A 33 -9.882 -1.047 -6.878 1.00 71.44 H new ATOM 0 HA THR A 33 -10.398 0.968 -4.785 1.00 31.43 H new ATOM 0 HB THR A 33 -8.400 -0.134 -3.724 1.00 61.23 H new ATOM 0 HG1 THR A 33 -7.437 -1.091 -5.556 1.00 4.01 H new ATOM 0 HG21 THR A 33 -9.567 -2.209 -3.017 1.00 1.52 H new ATOM 0 HG22 THR A 33 -10.665 -0.808 -3.035 1.00 1.52 H new ATOM 0 HG23 THR A 33 -10.727 -2.004 -4.351 1.00 1.52 H new ATOM 507 N ASP A 34 -8.520 1.442 -7.267 1.00 25.44 N ATOM 508 CA ASP A 34 -7.551 2.306 -7.982 1.00 43.34 C ATOM 509 C ASP A 34 -7.743 3.790 -7.614 1.00 0.24 C ATOM 510 O ASP A 34 -6.766 4.540 -7.485 1.00 51.33 O ATOM 511 CB ASP A 34 -7.683 2.095 -9.516 1.00 21.52 C ATOM 512 CG ASP A 34 -6.676 2.910 -10.354 1.00 53.15 C ATOM 513 OD1 ASP A 34 -5.536 2.439 -10.557 1.00 71.24 O ATOM 514 OD2 ASP A 34 -7.021 4.026 -10.815 1.00 63.11 O ATOM 0 H ASP A 34 -9.102 0.889 -7.896 1.00 25.44 H new ATOM 0 HA ASP A 34 -6.545 2.021 -7.672 1.00 43.34 H new ATOM 0 HB2 ASP A 34 -7.551 1.036 -9.739 1.00 21.52 H new ATOM 0 HB3 ASP A 34 -8.694 2.362 -9.823 1.00 21.52 H new ATOM 519 N ALA A 35 -9.017 4.174 -7.413 1.00 14.12 N ATOM 520 CA ALA A 35 -9.400 5.546 -7.021 1.00 62.24 C ATOM 521 C ALA A 35 -8.660 6.005 -5.752 1.00 45.25 C ATOM 522 O ALA A 35 -8.221 7.156 -5.663 1.00 4.12 O ATOM 523 CB ALA A 35 -10.921 5.648 -6.820 1.00 25.41 C ATOM 0 H ALA A 35 -9.811 3.543 -7.517 1.00 14.12 H new ATOM 0 HA ALA A 35 -9.107 6.210 -7.834 1.00 62.24 H new ATOM 0 HB1 ALA A 35 -11.182 6.666 -6.532 1.00 25.41 H new ATOM 0 HB2 ALA A 35 -11.429 5.392 -7.750 1.00 25.41 H new ATOM 0 HB3 ALA A 35 -11.231 4.958 -6.036 1.00 25.41 H new ATOM 529 N LEU A 36 -8.490 5.074 -4.794 1.00 41.41 N ATOM 530 CA LEU A 36 -7.825 5.353 -3.513 1.00 31.35 C ATOM 531 C LEU A 36 -6.355 4.904 -3.544 1.00 3.03 C ATOM 532 O LEU A 36 -5.546 5.442 -2.817 1.00 22.10 O ATOM 533 CB LEU A 36 -8.584 4.671 -2.334 1.00 61.24 C ATOM 534 CG LEU A 36 -10.024 5.209 -2.046 1.00 63.51 C ATOM 535 CD1 LEU A 36 -10.665 4.474 -0.852 1.00 54.50 C ATOM 536 CD2 LEU A 36 -10.021 6.735 -1.814 1.00 22.13 C ATOM 0 H LEU A 36 -8.810 4.110 -4.889 1.00 41.41 H new ATOM 0 HA LEU A 36 -7.845 6.431 -3.354 1.00 31.35 H new ATOM 0 HB2 LEU A 36 -8.651 3.603 -2.540 1.00 61.24 H new ATOM 0 HB3 LEU A 36 -7.987 4.784 -1.429 1.00 61.24 H new ATOM 0 HG LEU A 36 -10.629 5.009 -2.930 1.00 63.51 H new ATOM 0 HD11 LEU A 36 -11.665 4.870 -0.676 1.00 54.50 H new ATOM 0 HD12 LEU A 36 -10.730 3.409 -1.073 1.00 54.50 H new ATOM 0 HD13 LEU A 36 -10.054 4.624 0.038 1.00 54.50 H new ATOM 0 HD21 LEU A 36 -11.038 7.075 -1.617 1.00 22.13 H new ATOM 0 HD22 LEU A 36 -9.387 6.972 -0.960 1.00 22.13 H new ATOM 0 HD23 LEU A 36 -9.636 7.237 -2.702 1.00 22.13 H new ATOM 548 N ILE A 37 -5.992 3.922 -4.383 1.00 13.12 N ATOM 549 CA ILE A 37 -4.613 3.395 -4.393 1.00 64.42 C ATOM 550 C ILE A 37 -4.216 2.903 -5.792 1.00 64.13 C ATOM 551 O ILE A 37 -4.808 1.967 -6.338 1.00 22.22 O ATOM 552 CB ILE A 37 -4.424 2.288 -3.287 1.00 33.44 C ATOM 553 CG1 ILE A 37 -2.934 1.832 -3.173 1.00 33.51 C ATOM 554 CG2 ILE A 37 -5.385 1.094 -3.490 1.00 72.12 C ATOM 555 CD1 ILE A 37 -2.645 0.917 -1.985 1.00 50.11 C ATOM 0 H ILE A 37 -6.620 3.481 -5.054 1.00 13.12 H new ATOM 0 HA ILE A 37 -3.933 4.210 -4.145 1.00 64.42 H new ATOM 0 HB ILE A 37 -4.690 2.742 -2.333 1.00 33.44 H new ATOM 0 HG12 ILE A 37 -2.653 1.316 -4.091 1.00 33.51 H new ATOM 0 HG13 ILE A 37 -2.301 2.716 -3.098 1.00 33.51 H new ATOM 0 HG21 ILE A 37 -5.219 0.356 -2.705 1.00 72.12 H new ATOM 0 HG22 ILE A 37 -6.416 1.445 -3.446 1.00 72.12 H new ATOM 0 HG23 ILE A 37 -5.198 0.638 -4.462 1.00 72.12 H new ATOM 0 HD11 ILE A 37 -1.589 0.648 -1.981 1.00 50.11 H new ATOM 0 HD12 ILE A 37 -2.891 1.435 -1.058 1.00 50.11 H new ATOM 0 HD13 ILE A 37 -3.249 0.013 -2.066 1.00 50.11 H new ATOM 567 N CYS A 38 -3.213 3.567 -6.379 1.00 42.21 N ATOM 568 CA CYS A 38 -2.813 3.365 -7.777 1.00 3.13 C ATOM 569 C CYS A 38 -1.286 3.459 -7.922 1.00 35.03 C ATOM 570 O CYS A 38 -0.629 4.176 -7.150 1.00 15.51 O ATOM 571 CB CYS A 38 -3.514 4.441 -8.638 1.00 21.52 C ATOM 572 SG CYS A 38 -3.289 6.127 -8.012 1.00 61.42 S ATOM 0 H CYS A 38 -2.651 4.266 -5.893 1.00 42.21 H new ATOM 0 HA CYS A 38 -3.110 2.371 -8.111 1.00 3.13 H new ATOM 0 HB2 CYS A 38 -3.131 4.386 -9.657 1.00 21.52 H new ATOM 0 HB3 CYS A 38 -4.580 4.219 -8.686 1.00 21.52 H new ATOM 0 HG CYS A 38 -3.905 6.965 -8.792 1.00 61.42 H new ATOM 578 N TRP A 39 -0.734 2.728 -8.914 1.00 51.43 N ATOM 579 CA TRP A 39 0.708 2.756 -9.245 1.00 34.32 C ATOM 580 C TRP A 39 1.083 4.101 -9.873 1.00 12.10 C ATOM 581 O TRP A 39 0.255 4.733 -10.538 1.00 72.35 O ATOM 582 CB TRP A 39 1.080 1.637 -10.266 1.00 0.44 C ATOM 583 CG TRP A 39 0.980 0.222 -9.749 1.00 30.15 C ATOM 584 CD1 TRP A 39 -0.119 -0.588 -9.751 1.00 52.45 C ATOM 585 CD2 TRP A 39 2.047 -0.560 -9.189 1.00 44.03 C ATOM 586 NE1 TRP A 39 0.190 -1.803 -9.194 1.00 13.13 N ATOM 587 CE2 TRP A 39 1.513 -1.816 -8.858 1.00 14.13 C ATOM 588 CE3 TRP A 39 3.398 -0.315 -8.935 1.00 12.04 C ATOM 589 CZ2 TRP A 39 2.280 -2.824 -8.284 1.00 1.32 C ATOM 590 CZ3 TRP A 39 4.159 -1.317 -8.372 1.00 32.33 C ATOM 591 CH2 TRP A 39 3.600 -2.558 -8.056 1.00 61.51 C ATOM 0 H TRP A 39 -1.276 2.101 -9.509 1.00 51.43 H new ATOM 0 HA TRP A 39 1.252 2.599 -8.314 1.00 34.32 H new ATOM 0 HB2 TRP A 39 0.431 1.734 -11.136 1.00 0.44 H new ATOM 0 HB3 TRP A 39 2.100 1.808 -10.609 1.00 0.44 H new ATOM 0 HD1 TRP A 39 -1.090 -0.312 -10.135 1.00 52.45 H new ATOM 0 HE1 TRP A 39 -0.464 -2.573 -9.053 1.00 13.13 H new ATOM 0 HE3 TRP A 39 3.838 0.641 -9.175 1.00 12.04 H new ATOM 0 HZ2 TRP A 39 1.848 -3.780 -8.028 1.00 1.32 H new ATOM 0 HZ3 TRP A 39 5.205 -1.140 -8.172 1.00 32.33 H new ATOM 0 HH2 TRP A 39 4.226 -3.324 -7.622 1.00 61.51 H new ATOM 602 N SER A 40 2.332 4.524 -9.667 1.00 64.24 N ATOM 603 CA SER A 40 2.933 5.636 -10.414 1.00 70.12 C ATOM 604 C SER A 40 3.216 5.190 -11.876 1.00 14.25 C ATOM 605 O SER A 40 3.354 3.986 -12.121 1.00 42.32 O ATOM 606 CB SER A 40 4.233 6.080 -9.700 1.00 42.31 C ATOM 607 OG SER A 40 5.140 4.994 -9.529 1.00 11.13 O ATOM 0 H SER A 40 2.957 4.106 -8.978 1.00 64.24 H new ATOM 0 HA SER A 40 2.248 6.483 -10.447 1.00 70.12 H new ATOM 0 HB2 SER A 40 4.715 6.868 -10.279 1.00 42.31 H new ATOM 0 HB3 SER A 40 3.986 6.504 -8.727 1.00 42.31 H new ATOM 0 HG SER A 40 4.835 4.426 -8.791 1.00 11.13 H new ATOM 613 N PRO A 41 3.300 6.133 -12.876 1.00 24.03 N ATOM 614 CA PRO A 41 3.703 5.792 -14.270 1.00 10.32 C ATOM 615 C PRO A 41 5.042 5.018 -14.334 1.00 24.14 C ATOM 616 O PRO A 41 5.246 4.193 -15.226 1.00 31.05 O ATOM 617 CB PRO A 41 3.804 7.171 -14.965 1.00 23.15 C ATOM 618 CG PRO A 41 2.868 8.047 -14.190 1.00 75.25 C ATOM 619 CD PRO A 41 2.960 7.578 -12.753 1.00 61.01 C ATOM 0 HA PRO A 41 2.990 5.122 -14.751 1.00 10.32 H new ATOM 0 HB2 PRO A 41 4.823 7.556 -14.938 1.00 23.15 H new ATOM 0 HB3 PRO A 41 3.514 7.110 -16.014 1.00 23.15 H new ATOM 0 HG2 PRO A 41 3.151 9.096 -14.278 1.00 75.25 H new ATOM 0 HG3 PRO A 41 1.849 7.959 -14.566 1.00 75.25 H new ATOM 0 HD2 PRO A 41 3.725 8.124 -12.201 1.00 61.01 H new ATOM 0 HD3 PRO A 41 2.019 7.725 -12.223 1.00 61.01 H new ATOM 627 N SER A 42 5.930 5.275 -13.347 1.00 65.23 N ATOM 628 CA SER A 42 7.205 4.553 -13.205 1.00 63.10 C ATOM 629 C SER A 42 6.978 3.147 -12.620 1.00 34.44 C ATOM 630 O SER A 42 7.655 2.194 -13.013 1.00 73.31 O ATOM 631 CB SER A 42 8.170 5.348 -12.303 1.00 13.15 C ATOM 632 OG SER A 42 8.386 6.667 -12.794 1.00 64.53 O ATOM 0 H SER A 42 5.780 5.986 -12.632 1.00 65.23 H new ATOM 0 HA SER A 42 7.647 4.447 -14.196 1.00 63.10 H new ATOM 0 HB2 SER A 42 7.765 5.398 -11.292 1.00 13.15 H new ATOM 0 HB3 SER A 42 9.123 4.823 -12.239 1.00 13.15 H new ATOM 0 HG SER A 42 9.001 7.142 -12.197 1.00 64.53 H new ATOM 638 N GLY A 43 6.035 3.041 -11.668 1.00 1.44 N ATOM 639 CA GLY A 43 5.696 1.766 -11.028 1.00 10.34 C ATOM 640 C GLY A 43 6.693 1.350 -9.947 1.00 60.41 C ATOM 641 O GLY A 43 6.808 0.163 -9.604 1.00 1.31 O ATOM 0 H GLY A 43 5.492 3.833 -11.325 1.00 1.44 H new ATOM 0 HA2 GLY A 43 4.702 1.842 -10.587 1.00 10.34 H new ATOM 0 HA3 GLY A 43 5.649 0.987 -11.789 1.00 10.34 H new ATOM 645 N ASN A 44 7.439 2.341 -9.437 1.00 31.31 N ATOM 646 CA ASN A 44 8.402 2.160 -8.331 1.00 2.34 C ATOM 647 C ASN A 44 7.738 2.515 -6.994 1.00 23.04 C ATOM 648 O ASN A 44 8.213 2.121 -5.923 1.00 14.20 O ATOM 649 CB ASN A 44 9.650 3.058 -8.574 1.00 75.30 C ATOM 650 CG ASN A 44 10.333 2.820 -9.933 1.00 14.44 C ATOM 651 OD1 ASN A 44 10.845 3.750 -10.551 1.00 22.03 O ATOM 652 ND2 ASN A 44 10.367 1.579 -10.402 1.00 21.34 N ATOM 0 H ASN A 44 7.393 3.300 -9.781 1.00 31.31 H new ATOM 0 HA ASN A 44 8.719 1.118 -8.294 1.00 2.34 H new ATOM 0 HB2 ASN A 44 9.352 4.104 -8.506 1.00 75.30 H new ATOM 0 HB3 ASN A 44 10.374 2.881 -7.778 1.00 75.30 H new ATOM 0 HD21 ASN A 44 10.825 1.383 -11.292 1.00 21.34 H new ATOM 0 HD22 ASN A 44 9.935 0.822 -9.872 1.00 21.34 H new ATOM 659 N SER A 45 6.618 3.237 -7.072 1.00 43.43 N ATOM 660 CA SER A 45 5.905 3.762 -5.907 1.00 41.44 C ATOM 661 C SER A 45 4.394 3.681 -6.146 1.00 65.44 C ATOM 662 O SER A 45 3.945 3.421 -7.278 1.00 53.52 O ATOM 663 CB SER A 45 6.330 5.223 -5.654 1.00 72.15 C ATOM 664 OG SER A 45 6.096 6.039 -6.793 1.00 53.34 O ATOM 0 H SER A 45 6.175 3.476 -7.959 1.00 43.43 H new ATOM 0 HA SER A 45 6.154 3.166 -5.029 1.00 41.44 H new ATOM 0 HB2 SER A 45 5.779 5.620 -4.801 1.00 72.15 H new ATOM 0 HB3 SER A 45 7.388 5.255 -5.393 1.00 72.15 H new ATOM 0 HG SER A 45 5.847 6.941 -6.503 1.00 53.34 H new ATOM 670 N PHE A 46 3.604 3.908 -5.083 1.00 25.40 N ATOM 671 CA PHE A 46 2.140 3.959 -5.177 1.00 64.21 C ATOM 672 C PHE A 46 1.582 5.030 -4.237 1.00 52.54 C ATOM 673 O PHE A 46 2.145 5.271 -3.166 1.00 53.43 O ATOM 674 CB PHE A 46 1.519 2.571 -4.879 1.00 24.32 C ATOM 675 CG PHE A 46 1.796 1.979 -3.487 1.00 1.53 C ATOM 676 CD1 PHE A 46 2.970 1.273 -3.228 1.00 64.20 C ATOM 677 CD2 PHE A 46 0.869 2.102 -2.450 1.00 51.24 C ATOM 678 CE1 PHE A 46 3.211 0.715 -1.984 1.00 61.24 C ATOM 679 CE2 PHE A 46 1.109 1.540 -1.206 1.00 51.20 C ATOM 680 CZ PHE A 46 2.279 0.847 -0.973 1.00 22.04 C ATOM 0 H PHE A 46 3.962 4.060 -4.140 1.00 25.40 H new ATOM 0 HA PHE A 46 1.868 4.229 -6.197 1.00 64.21 H new ATOM 0 HB2 PHE A 46 0.439 2.645 -5.009 1.00 24.32 H new ATOM 0 HB3 PHE A 46 1.883 1.867 -5.627 1.00 24.32 H new ATOM 0 HD1 PHE A 46 3.704 1.159 -4.012 1.00 64.20 H new ATOM 0 HD2 PHE A 46 -0.050 2.644 -2.620 1.00 51.24 H new ATOM 0 HE1 PHE A 46 4.129 0.176 -1.804 1.00 61.24 H new ATOM 0 HE2 PHE A 46 0.379 1.645 -0.417 1.00 51.20 H new ATOM 0 HZ PHE A 46 2.466 0.409 -0.003 1.00 22.04 H new ATOM 690 N HIS A 47 0.475 5.660 -4.648 1.00 12.55 N ATOM 691 CA HIS A 47 -0.188 6.735 -3.899 1.00 3.34 C ATOM 692 C HIS A 47 -1.444 6.185 -3.231 1.00 24.40 C ATOM 693 O HIS A 47 -2.139 5.347 -3.815 1.00 20.33 O ATOM 694 CB HIS A 47 -0.551 7.908 -4.843 1.00 23.02 C ATOM 695 CG HIS A 47 0.629 8.735 -5.278 1.00 25.22 C ATOM 696 ND1 HIS A 47 0.668 10.100 -5.142 1.00 14.21 N ATOM 697 CD2 HIS A 47 1.806 8.390 -5.857 1.00 1.14 C ATOM 698 CE1 HIS A 47 1.799 10.563 -5.612 1.00 4.20 C ATOM 699 NE2 HIS A 47 2.513 9.548 -6.047 1.00 24.43 N ATOM 0 H HIS A 47 0.007 5.433 -5.525 1.00 12.55 H new ATOM 0 HA HIS A 47 0.492 7.111 -3.135 1.00 3.34 H new ATOM 0 HB2 HIS A 47 -1.047 7.508 -5.728 1.00 23.02 H new ATOM 0 HB3 HIS A 47 -1.269 8.556 -4.340 1.00 23.02 H new ATOM 0 HD2 HIS A 47 2.125 7.392 -6.119 1.00 1.14 H new ATOM 0 HE1 HIS A 47 2.095 11.601 -5.638 1.00 4.20 H new ATOM 0 HE2 HIS A 47 3.444 9.612 -6.460 1.00 24.43 H new ATOM 708 N VAL A 48 -1.719 6.661 -2.012 1.00 20.24 N ATOM 709 CA VAL A 48 -2.883 6.260 -1.219 1.00 21.24 C ATOM 710 C VAL A 48 -3.668 7.525 -0.854 1.00 62.45 C ATOM 711 O VAL A 48 -3.106 8.455 -0.272 1.00 25.41 O ATOM 712 CB VAL A 48 -2.485 5.471 0.090 1.00 33.44 C ATOM 713 CG1 VAL A 48 -3.736 4.940 0.815 1.00 31.44 C ATOM 714 CG2 VAL A 48 -1.496 4.324 -0.213 1.00 1.43 C ATOM 0 H VAL A 48 -1.128 7.347 -1.542 1.00 20.24 H new ATOM 0 HA VAL A 48 -3.490 5.579 -1.816 1.00 21.24 H new ATOM 0 HB VAL A 48 -1.979 6.173 0.752 1.00 33.44 H new ATOM 0 HG11 VAL A 48 -3.435 4.401 1.713 1.00 31.44 H new ATOM 0 HG12 VAL A 48 -4.378 5.776 1.092 1.00 31.44 H new ATOM 0 HG13 VAL A 48 -4.282 4.267 0.154 1.00 31.44 H new ATOM 0 HG21 VAL A 48 -1.246 3.805 0.712 1.00 1.43 H new ATOM 0 HG22 VAL A 48 -1.955 3.623 -0.910 1.00 1.43 H new ATOM 0 HG23 VAL A 48 -0.588 4.734 -0.656 1.00 1.43 H new ATOM 724 N PHE A 49 -4.963 7.534 -1.182 1.00 35.55 N ATOM 725 CA PHE A 49 -5.857 8.685 -1.018 1.00 13.54 C ATOM 726 C PHE A 49 -6.832 8.400 0.117 1.00 44.21 C ATOM 727 O PHE A 49 -7.277 7.246 0.275 1.00 15.41 O ATOM 728 CB PHE A 49 -6.669 8.975 -2.316 1.00 1.21 C ATOM 729 CG PHE A 49 -5.867 9.553 -3.479 1.00 31.04 C ATOM 730 CD1 PHE A 49 -5.189 8.729 -4.373 1.00 24.30 C ATOM 731 CD2 PHE A 49 -5.816 10.937 -3.691 1.00 21.23 C ATOM 732 CE1 PHE A 49 -4.476 9.264 -5.435 1.00 22.00 C ATOM 733 CE2 PHE A 49 -5.105 11.469 -4.750 1.00 72.23 C ATOM 734 CZ PHE A 49 -4.438 10.634 -5.625 1.00 63.13 C ATOM 0 H PHE A 49 -5.431 6.720 -1.579 1.00 35.55 H new ATOM 0 HA PHE A 49 -5.244 9.558 -0.796 1.00 13.54 H new ATOM 0 HB2 PHE A 49 -7.137 8.047 -2.646 1.00 1.21 H new ATOM 0 HB3 PHE A 49 -7.474 9.669 -2.073 1.00 1.21 H new ATOM 0 HD1 PHE A 49 -5.219 7.658 -4.237 1.00 24.30 H new ATOM 0 HD2 PHE A 49 -6.340 11.598 -3.017 1.00 21.23 H new ATOM 0 HE1 PHE A 49 -3.950 8.610 -6.115 1.00 22.00 H new ATOM 0 HE2 PHE A 49 -5.071 12.539 -4.894 1.00 72.23 H new ATOM 0 HZ PHE A 49 -3.888 11.050 -6.456 1.00 63.13 H new ATOM 744 N ASP A 50 -7.183 9.463 0.865 1.00 71.24 N ATOM 745 CA ASP A 50 -8.211 9.422 1.911 1.00 51.02 C ATOM 746 C ASP A 50 -8.036 8.218 2.859 1.00 25.44 C ATOM 747 O ASP A 50 -8.762 7.217 2.747 1.00 33.03 O ATOM 748 CB ASP A 50 -9.631 9.434 1.281 1.00 73.34 C ATOM 749 CG ASP A 50 -9.953 10.768 0.593 1.00 2.15 C ATOM 750 OD1 ASP A 50 -9.449 11.008 -0.523 1.00 12.53 O ATOM 751 OD2 ASP A 50 -10.695 11.595 1.177 1.00 50.11 O ATOM 0 H ASP A 50 -6.754 10.382 0.756 1.00 71.24 H new ATOM 0 HA ASP A 50 -8.091 10.319 2.518 1.00 51.02 H new ATOM 0 HB2 ASP A 50 -9.711 8.625 0.555 1.00 73.34 H new ATOM 0 HB3 ASP A 50 -10.372 9.240 2.057 1.00 73.34 H new ATOM 756 N GLN A 51 -7.052 8.331 3.773 1.00 13.43 N ATOM 757 CA GLN A 51 -6.746 7.273 4.764 1.00 14.03 C ATOM 758 C GLN A 51 -7.997 6.842 5.562 1.00 11.32 C ATOM 759 O GLN A 51 -8.104 5.690 5.960 1.00 10.43 O ATOM 760 CB GLN A 51 -5.622 7.698 5.743 1.00 75.51 C ATOM 761 CG GLN A 51 -4.325 8.268 5.123 1.00 75.05 C ATOM 762 CD GLN A 51 -3.584 7.361 4.128 1.00 44.21 C ATOM 763 OE1 GLN A 51 -4.176 6.603 3.379 1.00 44.34 O ATOM 764 NE2 GLN A 51 -2.260 7.424 4.134 1.00 73.51 N ATOM 0 H GLN A 51 -6.449 9.151 3.848 1.00 13.43 H new ATOM 0 HA GLN A 51 -6.395 6.418 4.186 1.00 14.03 H new ATOM 0 HB2 GLN A 51 -6.030 8.447 6.422 1.00 75.51 H new ATOM 0 HB3 GLN A 51 -5.355 6.832 6.348 1.00 75.51 H new ATOM 0 HG2 GLN A 51 -4.571 9.201 4.616 1.00 75.05 H new ATOM 0 HG3 GLN A 51 -3.640 8.516 5.934 1.00 75.05 H new ATOM 0 HE21 GLN A 51 -1.783 8.065 4.768 1.00 73.51 H new ATOM 0 HE22 GLN A 51 -1.718 6.832 3.504 1.00 73.51 H new ATOM 773 N GLY A 52 -8.944 7.780 5.741 1.00 61.34 N ATOM 774 CA GLY A 52 -10.234 7.493 6.367 1.00 52.21 C ATOM 775 C GLY A 52 -11.102 6.546 5.535 1.00 3.24 C ATOM 776 O GLY A 52 -11.570 5.526 6.046 1.00 50.41 O ATOM 0 H GLY A 52 -8.831 8.753 5.455 1.00 61.34 H new ATOM 0 HA2 GLY A 52 -10.065 7.054 7.350 1.00 52.21 H new ATOM 0 HA3 GLY A 52 -10.772 8.428 6.524 1.00 52.21 H new ATOM 780 N GLN A 53 -11.282 6.865 4.231 1.00 22.34 N ATOM 781 CA GLN A 53 -12.150 6.073 3.326 1.00 60.35 C ATOM 782 C GLN A 53 -11.514 4.701 3.027 1.00 40.41 C ATOM 783 O GLN A 53 -12.185 3.663 3.089 1.00 45.11 O ATOM 784 CB GLN A 53 -12.412 6.836 1.999 1.00 53.11 C ATOM 785 CG GLN A 53 -13.404 6.130 1.038 1.00 2.23 C ATOM 786 CD GLN A 53 -14.831 6.014 1.596 1.00 35.15 C ATOM 787 OE1 GLN A 53 -15.301 6.892 2.317 1.00 5.44 O ATOM 788 NE2 GLN A 53 -15.510 4.919 1.312 1.00 31.04 N ATOM 0 H GLN A 53 -10.837 7.666 3.782 1.00 22.34 H new ATOM 0 HA GLN A 53 -13.104 5.917 3.830 1.00 60.35 H new ATOM 0 HB2 GLN A 53 -12.797 7.828 2.235 1.00 53.11 H new ATOM 0 HB3 GLN A 53 -11.463 6.977 1.482 1.00 53.11 H new ATOM 0 HG2 GLN A 53 -13.435 6.678 0.096 1.00 2.23 H new ATOM 0 HG3 GLN A 53 -13.029 5.131 0.813 1.00 2.23 H new ATOM 0 HE21 GLN A 53 -15.098 4.205 0.711 1.00 31.04 H new ATOM 0 HE22 GLN A 53 -16.447 4.787 1.693 1.00 31.04 H new ATOM 797 N PHE A 54 -10.213 4.738 2.703 1.00 41.20 N ATOM 798 CA PHE A 54 -9.367 3.556 2.445 1.00 2.54 C ATOM 799 C PHE A 54 -9.434 2.561 3.614 1.00 1.42 C ATOM 800 O PHE A 54 -9.678 1.372 3.423 1.00 43.22 O ATOM 801 CB PHE A 54 -7.906 4.046 2.192 1.00 34.00 C ATOM 802 CG PHE A 54 -6.877 2.968 1.848 1.00 33.10 C ATOM 803 CD1 PHE A 54 -6.169 2.310 2.853 1.00 60.01 C ATOM 804 CD2 PHE A 54 -6.605 2.624 0.525 1.00 15.12 C ATOM 805 CE1 PHE A 54 -5.231 1.345 2.551 1.00 74.04 C ATOM 806 CE2 PHE A 54 -5.664 1.657 0.224 1.00 54.24 C ATOM 807 CZ PHE A 54 -4.977 1.017 1.236 1.00 54.21 C ATOM 0 H PHE A 54 -9.702 5.616 2.610 1.00 41.20 H new ATOM 0 HA PHE A 54 -9.730 3.025 1.565 1.00 2.54 H new ATOM 0 HB2 PHE A 54 -7.925 4.772 1.379 1.00 34.00 H new ATOM 0 HB3 PHE A 54 -7.564 4.573 3.082 1.00 34.00 H new ATOM 0 HD1 PHE A 54 -6.358 2.560 3.886 1.00 60.01 H new ATOM 0 HD2 PHE A 54 -7.136 3.119 -0.275 1.00 15.12 H new ATOM 0 HE1 PHE A 54 -4.695 0.846 3.345 1.00 74.04 H new ATOM 0 HE2 PHE A 54 -5.466 1.401 -0.806 1.00 54.24 H new ATOM 0 HZ PHE A 54 -4.243 0.262 0.998 1.00 54.21 H new ATOM 817 N ALA A 55 -9.217 3.069 4.826 1.00 50.41 N ATOM 818 CA ALA A 55 -9.302 2.260 6.053 1.00 53.43 C ATOM 819 C ALA A 55 -10.694 1.623 6.256 1.00 71.33 C ATOM 820 O ALA A 55 -10.808 0.498 6.744 1.00 21.11 O ATOM 821 CB ALA A 55 -8.938 3.119 7.256 1.00 74.31 C ATOM 0 H ALA A 55 -8.978 4.047 4.991 1.00 50.41 H new ATOM 0 HA ALA A 55 -8.593 1.438 5.950 1.00 53.43 H new ATOM 0 HB1 ALA A 55 -9.001 2.519 8.164 1.00 74.31 H new ATOM 0 HB2 ALA A 55 -7.922 3.496 7.140 1.00 74.31 H new ATOM 0 HB3 ALA A 55 -9.630 3.958 7.327 1.00 74.31 H new ATOM 827 N LYS A 56 -11.735 2.361 5.853 1.00 23.42 N ATOM 828 CA LYS A 56 -13.140 1.969 6.031 1.00 32.31 C ATOM 829 C LYS A 56 -13.557 0.817 5.081 1.00 1.23 C ATOM 830 O LYS A 56 -14.221 -0.126 5.516 1.00 41.25 O ATOM 831 CB LYS A 56 -14.036 3.239 5.860 1.00 14.33 C ATOM 832 CG LYS A 56 -15.549 2.983 5.617 1.00 61.20 C ATOM 833 CD LYS A 56 -15.943 3.002 4.117 1.00 21.11 C ATOM 834 CE LYS A 56 -17.398 2.563 3.881 1.00 3.22 C ATOM 835 NZ LYS A 56 -18.371 3.467 4.549 1.00 23.04 N ATOM 0 H LYS A 56 -11.624 3.261 5.387 1.00 23.42 H new ATOM 0 HA LYS A 56 -13.276 1.569 7.036 1.00 32.31 H new ATOM 0 HB2 LYS A 56 -13.932 3.855 6.753 1.00 14.33 H new ATOM 0 HB3 LYS A 56 -13.649 3.822 5.024 1.00 14.33 H new ATOM 0 HG2 LYS A 56 -15.820 2.017 6.044 1.00 61.20 H new ATOM 0 HG3 LYS A 56 -16.128 3.740 6.147 1.00 61.20 H new ATOM 0 HD2 LYS A 56 -15.802 4.008 3.721 1.00 21.11 H new ATOM 0 HD3 LYS A 56 -15.274 2.344 3.561 1.00 21.11 H new ATOM 0 HE2 LYS A 56 -17.600 2.541 2.810 1.00 3.22 H new ATOM 0 HE3 LYS A 56 -17.534 1.547 4.252 1.00 3.22 H new ATOM 0 HZ1 LYS A 56 -19.339 3.134 4.363 1.00 23.04 H new ATOM 0 HZ2 LYS A 56 -18.196 3.469 5.574 1.00 23.04 H new ATOM 0 HZ3 LYS A 56 -18.260 4.432 4.177 1.00 23.04 H new ATOM 849 N GLU A 57 -13.214 0.922 3.780 1.00 13.03 N ATOM 850 CA GLU A 57 -13.683 -0.046 2.749 1.00 50.40 C ATOM 851 C GLU A 57 -12.601 -1.064 2.357 1.00 74.25 C ATOM 852 O GLU A 57 -12.885 -2.265 2.238 1.00 30.12 O ATOM 853 CB GLU A 57 -14.197 0.695 1.479 1.00 3.40 C ATOM 854 CG GLU A 57 -13.201 1.689 0.853 1.00 34.41 C ATOM 855 CD GLU A 57 -13.565 2.133 -0.570 1.00 13.34 C ATOM 856 OE1 GLU A 57 -14.481 2.968 -0.730 1.00 64.23 O ATOM 857 OE2 GLU A 57 -12.937 1.654 -1.544 1.00 64.24 O ATOM 0 H GLU A 57 -12.616 1.663 3.413 1.00 13.03 H new ATOM 0 HA GLU A 57 -14.506 -0.599 3.201 1.00 50.40 H new ATOM 0 HB2 GLU A 57 -14.465 -0.048 0.728 1.00 3.40 H new ATOM 0 HB3 GLU A 57 -15.110 1.233 1.736 1.00 3.40 H new ATOM 0 HG2 GLU A 57 -13.135 2.570 1.491 1.00 34.41 H new ATOM 0 HG3 GLU A 57 -12.211 1.233 0.837 1.00 34.41 H new ATOM 864 N VAL A 58 -11.367 -0.591 2.177 1.00 54.42 N ATOM 865 CA VAL A 58 -10.281 -1.373 1.562 1.00 22.13 C ATOM 866 C VAL A 58 -9.662 -2.359 2.565 1.00 23.40 C ATOM 867 O VAL A 58 -9.436 -3.532 2.236 1.00 22.41 O ATOM 868 CB VAL A 58 -9.164 -0.419 1.004 1.00 22.41 C ATOM 869 CG1 VAL A 58 -7.908 -1.197 0.590 1.00 35.34 C ATOM 870 CG2 VAL A 58 -9.701 0.455 -0.156 1.00 40.00 C ATOM 0 H VAL A 58 -11.086 0.350 2.454 1.00 54.42 H new ATOM 0 HA VAL A 58 -10.713 -1.944 0.740 1.00 22.13 H new ATOM 0 HB VAL A 58 -8.873 0.251 1.813 1.00 22.41 H new ATOM 0 HG11 VAL A 58 -7.159 -0.503 0.209 1.00 35.34 H new ATOM 0 HG12 VAL A 58 -7.506 -1.726 1.454 1.00 35.34 H new ATOM 0 HG13 VAL A 58 -8.165 -1.916 -0.188 1.00 35.34 H new ATOM 0 HG21 VAL A 58 -8.905 1.104 -0.521 1.00 40.00 H new ATOM 0 HG22 VAL A 58 -10.045 -0.188 -0.966 1.00 40.00 H new ATOM 0 HG23 VAL A 58 -10.531 1.064 0.202 1.00 40.00 H new ATOM 880 N LEU A 59 -9.358 -1.866 3.774 1.00 63.52 N ATOM 881 CA LEU A 59 -8.655 -2.661 4.789 1.00 63.20 C ATOM 882 C LEU A 59 -9.484 -3.882 5.298 1.00 35.42 C ATOM 883 O LEU A 59 -8.931 -4.967 5.377 1.00 34.14 O ATOM 884 CB LEU A 59 -8.148 -1.777 5.958 1.00 4.02 C ATOM 885 CG LEU A 59 -7.042 -0.740 5.603 1.00 1.01 C ATOM 886 CD1 LEU A 59 -6.498 -0.077 6.877 1.00 1.44 C ATOM 887 CD2 LEU A 59 -5.915 -1.378 4.769 1.00 11.32 C ATOM 0 H LEU A 59 -9.589 -0.918 4.073 1.00 63.52 H new ATOM 0 HA LEU A 59 -7.781 -3.082 4.292 1.00 63.20 H new ATOM 0 HB2 LEU A 59 -8.999 -1.241 6.377 1.00 4.02 H new ATOM 0 HB3 LEU A 59 -7.766 -2.431 6.742 1.00 4.02 H new ATOM 0 HG LEU A 59 -7.492 0.037 4.985 1.00 1.01 H new ATOM 0 HD11 LEU A 59 -5.726 0.645 6.610 1.00 1.44 H new ATOM 0 HD12 LEU A 59 -7.309 0.434 7.396 1.00 1.44 H new ATOM 0 HD13 LEU A 59 -6.072 -0.839 7.530 1.00 1.44 H new ATOM 0 HD21 LEU A 59 -5.161 -0.625 4.540 1.00 11.32 H new ATOM 0 HD22 LEU A 59 -5.457 -2.189 5.336 1.00 11.32 H new ATOM 0 HD23 LEU A 59 -6.328 -1.772 3.840 1.00 11.32 H new ATOM 899 N PRO A 60 -10.818 -3.763 5.659 1.00 51.53 N ATOM 900 CA PRO A 60 -11.648 -4.961 6.011 1.00 45.23 C ATOM 901 C PRO A 60 -11.883 -5.910 4.809 1.00 33.31 C ATOM 902 O PRO A 60 -12.298 -7.056 4.990 1.00 74.11 O ATOM 903 CB PRO A 60 -12.980 -4.343 6.518 1.00 41.35 C ATOM 904 CG PRO A 60 -13.035 -2.982 5.916 1.00 23.31 C ATOM 905 CD PRO A 60 -11.607 -2.503 5.809 1.00 33.20 C ATOM 0 HA PRO A 60 -11.156 -5.593 6.750 1.00 45.23 H new ATOM 0 HB2 PRO A 60 -13.835 -4.944 6.210 1.00 41.35 H new ATOM 0 HB3 PRO A 60 -13.001 -4.293 7.607 1.00 41.35 H new ATOM 0 HG2 PRO A 60 -13.509 -3.011 4.935 1.00 23.31 H new ATOM 0 HG3 PRO A 60 -13.625 -2.307 6.536 1.00 23.31 H new ATOM 0 HD2 PRO A 60 -11.470 -1.841 4.954 1.00 33.20 H new ATOM 0 HD3 PRO A 60 -11.305 -1.945 6.695 1.00 33.20 H new ATOM 913 N LYS A 61 -11.629 -5.409 3.591 1.00 13.40 N ATOM 914 CA LYS A 61 -11.802 -6.163 2.338 1.00 44.12 C ATOM 915 C LYS A 61 -10.608 -7.120 2.078 1.00 54.45 C ATOM 916 O LYS A 61 -10.783 -8.340 2.041 1.00 23.04 O ATOM 917 CB LYS A 61 -11.989 -5.152 1.182 1.00 12.42 C ATOM 918 CG LYS A 61 -12.243 -5.755 -0.212 1.00 33.30 C ATOM 919 CD LYS A 61 -12.443 -4.657 -1.281 1.00 31.23 C ATOM 920 CE LYS A 61 -12.646 -5.222 -2.693 1.00 72.44 C ATOM 921 NZ LYS A 61 -12.675 -4.132 -3.708 1.00 35.44 N ATOM 0 H LYS A 61 -11.293 -4.457 3.445 1.00 13.40 H new ATOM 0 HA LYS A 61 -12.686 -6.797 2.412 1.00 44.12 H new ATOM 0 HB2 LYS A 61 -12.825 -4.498 1.430 1.00 12.42 H new ATOM 0 HB3 LYS A 61 -11.099 -4.525 1.127 1.00 12.42 H new ATOM 0 HG2 LYS A 61 -11.402 -6.388 -0.494 1.00 33.30 H new ATOM 0 HG3 LYS A 61 -13.125 -6.394 -0.177 1.00 33.30 H new ATOM 0 HD2 LYS A 61 -13.307 -4.049 -1.012 1.00 31.23 H new ATOM 0 HD3 LYS A 61 -11.576 -3.996 -1.282 1.00 31.23 H new ATOM 0 HE2 LYS A 61 -11.843 -5.920 -2.928 1.00 72.44 H new ATOM 0 HE3 LYS A 61 -13.579 -5.785 -2.732 1.00 72.44 H new ATOM 0 HZ1 LYS A 61 -13.212 -4.448 -4.541 1.00 35.44 H new ATOM 0 HZ2 LYS A 61 -13.131 -3.291 -3.301 1.00 35.44 H new ATOM 0 HZ3 LYS A 61 -11.703 -3.896 -3.992 1.00 35.44 H new ATOM 935 N TYR A 62 -9.397 -6.555 1.916 1.00 54.22 N ATOM 936 CA TYR A 62 -8.168 -7.343 1.587 1.00 5.10 C ATOM 937 C TYR A 62 -7.507 -7.914 2.849 1.00 53.24 C ATOM 938 O TYR A 62 -6.769 -8.905 2.783 1.00 2.22 O ATOM 939 CB TYR A 62 -7.151 -6.476 0.795 1.00 64.12 C ATOM 940 CG TYR A 62 -7.651 -6.072 -0.596 1.00 34.43 C ATOM 941 CD1 TYR A 62 -8.485 -4.969 -0.759 1.00 74.52 C ATOM 942 CD2 TYR A 62 -7.323 -6.815 -1.738 1.00 44.31 C ATOM 943 CE1 TYR A 62 -8.969 -4.620 -1.998 1.00 45.15 C ATOM 944 CE2 TYR A 62 -7.819 -6.467 -2.980 1.00 24.34 C ATOM 945 CZ TYR A 62 -8.639 -5.366 -3.101 1.00 21.22 C ATOM 946 OH TYR A 62 -9.147 -5.019 -4.325 1.00 63.23 O ATOM 0 H TYR A 62 -9.231 -5.553 2.006 1.00 54.22 H new ATOM 0 HA TYR A 62 -8.478 -8.180 0.962 1.00 5.10 H new ATOM 0 HB2 TYR A 62 -6.927 -5.576 1.368 1.00 64.12 H new ATOM 0 HB3 TYR A 62 -6.217 -7.028 0.691 1.00 64.12 H new ATOM 0 HD1 TYR A 62 -8.757 -4.377 0.103 1.00 74.52 H new ATOM 0 HD2 TYR A 62 -6.673 -7.672 -1.646 1.00 44.31 H new ATOM 0 HE1 TYR A 62 -9.610 -3.757 -2.103 1.00 45.15 H new ATOM 0 HE2 TYR A 62 -7.566 -7.054 -3.850 1.00 24.34 H new ATOM 0 HH TYR A 62 -8.819 -5.644 -5.005 1.00 63.23 H new ATOM 956 N PHE A 63 -7.759 -7.265 3.991 1.00 50.20 N ATOM 957 CA PHE A 63 -7.207 -7.652 5.302 1.00 64.24 C ATOM 958 C PHE A 63 -8.386 -7.901 6.268 1.00 44.35 C ATOM 959 O PHE A 63 -9.536 -7.964 5.819 1.00 71.31 O ATOM 960 CB PHE A 63 -6.252 -6.520 5.803 1.00 23.31 C ATOM 961 CG PHE A 63 -5.226 -6.078 4.750 1.00 51.42 C ATOM 962 CD1 PHE A 63 -4.134 -6.883 4.431 1.00 54.24 C ATOM 963 CD2 PHE A 63 -5.384 -4.882 4.043 1.00 22.23 C ATOM 964 CE1 PHE A 63 -3.234 -6.504 3.450 1.00 42.14 C ATOM 965 CE2 PHE A 63 -4.484 -4.509 3.057 1.00 13.33 C ATOM 966 CZ PHE A 63 -3.408 -5.321 2.761 1.00 15.21 C ATOM 0 H PHE A 63 -8.361 -6.443 4.035 1.00 50.20 H new ATOM 0 HA PHE A 63 -6.621 -8.569 5.239 1.00 64.24 H new ATOM 0 HB2 PHE A 63 -6.848 -5.658 6.103 1.00 23.31 H new ATOM 0 HB3 PHE A 63 -5.724 -6.867 6.691 1.00 23.31 H new ATOM 0 HD1 PHE A 63 -3.988 -7.815 4.956 1.00 54.24 H new ATOM 0 HD2 PHE A 63 -6.221 -4.238 4.269 1.00 22.23 H new ATOM 0 HE1 PHE A 63 -2.390 -7.138 3.222 1.00 42.14 H new ATOM 0 HE2 PHE A 63 -4.625 -3.583 2.520 1.00 13.33 H new ATOM 0 HZ PHE A 63 -2.705 -5.032 1.994 1.00 15.21 H new ATOM 976 N LYS A 64 -8.128 -8.053 7.584 1.00 12.41 N ATOM 977 CA LYS A 64 -9.202 -8.300 8.581 1.00 1.30 C ATOM 978 C LYS A 64 -9.103 -7.287 9.736 1.00 52.03 C ATOM 979 O LYS A 64 -9.256 -7.625 10.916 1.00 52.25 O ATOM 980 CB LYS A 64 -9.144 -9.780 9.076 1.00 2.23 C ATOM 981 CG LYS A 64 -7.789 -10.222 9.677 1.00 11.31 C ATOM 982 CD LYS A 64 -7.757 -11.722 10.073 1.00 12.33 C ATOM 983 CE LYS A 64 -8.846 -12.106 11.095 1.00 33.13 C ATOM 984 NZ LYS A 64 -8.704 -11.391 12.392 1.00 71.11 N ATOM 0 H LYS A 64 -7.191 -8.010 7.984 1.00 12.41 H new ATOM 0 HA LYS A 64 -10.175 -8.154 8.113 1.00 1.30 H new ATOM 0 HB2 LYS A 64 -9.921 -9.926 9.827 1.00 2.23 H new ATOM 0 HB3 LYS A 64 -9.383 -10.436 8.239 1.00 2.23 H new ATOM 0 HG2 LYS A 64 -6.997 -10.027 8.954 1.00 11.31 H new ATOM 0 HG3 LYS A 64 -7.574 -9.616 10.557 1.00 11.31 H new ATOM 0 HD2 LYS A 64 -7.879 -12.330 9.177 1.00 12.33 H new ATOM 0 HD3 LYS A 64 -6.778 -11.960 10.489 1.00 12.33 H new ATOM 0 HE2 LYS A 64 -9.827 -11.888 10.672 1.00 33.13 H new ATOM 0 HE3 LYS A 64 -8.807 -13.181 11.273 1.00 33.13 H new ATOM 0 HZ1 LYS A 64 -9.463 -11.689 13.038 1.00 71.11 H new ATOM 0 HZ2 LYS A 64 -7.781 -11.618 12.814 1.00 71.11 H new ATOM 0 HZ3 LYS A 64 -8.769 -10.365 12.232 1.00 71.11 H new ATOM 998 N HIS A 65 -8.906 -6.021 9.352 1.00 31.30 N ATOM 999 CA HIS A 65 -8.860 -4.863 10.268 1.00 61.13 C ATOM 1000 C HIS A 65 -9.256 -3.619 9.475 1.00 11.33 C ATOM 1001 O HIS A 65 -9.096 -3.600 8.265 1.00 11.42 O ATOM 1002 CB HIS A 65 -7.451 -4.676 10.911 1.00 13.42 C ATOM 1003 CG HIS A 65 -6.345 -4.360 9.932 1.00 13.54 C ATOM 1004 ND1 HIS A 65 -5.903 -3.075 9.663 1.00 62.04 N ATOM 1005 CD2 HIS A 65 -5.586 -5.176 9.163 1.00 33.10 C ATOM 1006 CE1 HIS A 65 -4.928 -3.126 8.775 1.00 63.21 C ATOM 1007 NE2 HIS A 65 -4.717 -4.386 8.453 1.00 21.15 N ATOM 0 H HIS A 65 -8.770 -5.761 8.375 1.00 31.30 H new ATOM 0 HA HIS A 65 -9.554 -5.033 11.091 1.00 61.13 H new ATOM 0 HB2 HIS A 65 -7.506 -3.873 11.646 1.00 13.42 H new ATOM 0 HB3 HIS A 65 -7.190 -5.586 11.451 1.00 13.42 H new ATOM 0 HD1 HIS A 65 -6.273 -2.223 10.085 1.00 62.04 H new ATOM 0 HD2 HIS A 65 -5.652 -6.253 9.117 1.00 33.10 H new ATOM 0 HE1 HIS A 65 -4.392 -2.276 8.378 1.00 63.21 H new ATOM 1016 N ASN A 66 -9.750 -2.581 10.159 1.00 3.23 N ATOM 1017 CA ASN A 66 -10.095 -1.290 9.514 1.00 32.22 C ATOM 1018 C ASN A 66 -9.076 -0.219 9.922 1.00 22.33 C ATOM 1019 O ASN A 66 -8.985 0.815 9.286 1.00 54.24 O ATOM 1020 CB ASN A 66 -11.534 -0.800 9.859 1.00 31.52 C ATOM 1021 CG ASN A 66 -12.654 -1.786 9.488 1.00 51.14 C ATOM 1022 OD1 ASN A 66 -12.499 -3.003 9.561 1.00 32.45 O ATOM 1023 ND2 ASN A 66 -13.798 -1.256 9.083 1.00 14.34 N ATOM 0 H ASN A 66 -9.924 -2.601 11.164 1.00 3.23 H new ATOM 0 HA ASN A 66 -10.064 -1.457 8.437 1.00 32.22 H new ATOM 0 HB2 ASN A 66 -11.587 -0.596 10.928 1.00 31.52 H new ATOM 0 HB3 ASN A 66 -11.715 0.144 9.345 1.00 31.52 H new ATOM 0 HD21 ASN A 66 -14.577 -1.861 8.823 1.00 14.34 H new ATOM 0 HD22 ASN A 66 -13.901 -0.242 9.031 1.00 14.34 H new ATOM 1030 N ASN A 67 -8.303 -0.493 10.987 1.00 21.42 N ATOM 1031 CA ASN A 67 -7.328 0.463 11.550 1.00 24.21 C ATOM 1032 C ASN A 67 -6.174 0.725 10.558 1.00 25.41 C ATOM 1033 O ASN A 67 -5.406 -0.196 10.229 1.00 41.20 O ATOM 1034 CB ASN A 67 -6.801 -0.065 12.915 1.00 12.03 C ATOM 1035 CG ASN A 67 -5.843 0.909 13.623 1.00 23.02 C ATOM 1036 OD1 ASN A 67 -4.625 0.773 13.544 1.00 33.03 O ATOM 1037 ND2 ASN A 67 -6.394 1.907 14.293 1.00 52.31 N ATOM 0 H ASN A 67 -8.335 -1.383 11.483 1.00 21.42 H new ATOM 0 HA ASN A 67 -7.826 1.418 11.721 1.00 24.21 H new ATOM 0 HB2 ASN A 67 -7.649 -0.267 13.569 1.00 12.03 H new ATOM 0 HB3 ASN A 67 -6.289 -1.014 12.755 1.00 12.03 H new ATOM 0 HD21 ASN A 67 -5.804 2.593 14.764 1.00 52.31 H new ATOM 0 HD22 ASN A 67 -7.409 1.991 14.339 1.00 52.31 H new ATOM 1044 N MET A 68 -6.085 1.987 10.085 1.00 43.32 N ATOM 1045 CA MET A 68 -5.075 2.426 9.093 1.00 64.12 C ATOM 1046 C MET A 68 -3.683 2.530 9.725 1.00 22.34 C ATOM 1047 O MET A 68 -2.671 2.251 9.067 1.00 20.22 O ATOM 1048 CB MET A 68 -5.475 3.783 8.447 1.00 3.05 C ATOM 1049 CG MET A 68 -4.567 4.218 7.303 1.00 2.01 C ATOM 1050 SD MET A 68 -4.483 2.952 6.026 1.00 13.42 S ATOM 1051 CE MET A 68 -3.504 3.783 4.794 1.00 30.13 C ATOM 0 H MET A 68 -6.713 2.734 10.381 1.00 43.32 H new ATOM 0 HA MET A 68 -5.040 1.669 8.310 1.00 64.12 H new ATOM 0 HB2 MET A 68 -6.498 3.710 8.077 1.00 3.05 H new ATOM 0 HB3 MET A 68 -5.468 4.555 9.216 1.00 3.05 H new ATOM 0 HG2 MET A 68 -4.938 5.148 6.873 1.00 2.01 H new ATOM 0 HG3 MET A 68 -3.567 4.420 7.685 1.00 2.01 H new ATOM 0 HE1 MET A 68 -4.153 4.147 3.998 1.00 30.13 H new ATOM 0 HE2 MET A 68 -2.983 4.624 5.250 1.00 30.13 H new ATOM 0 HE3 MET A 68 -2.775 3.087 4.378 1.00 30.13 H new ATOM 1061 N ALA A 69 -3.644 2.918 11.011 1.00 31.32 N ATOM 1062 CA ALA A 69 -2.393 3.002 11.790 1.00 51.40 C ATOM 1063 C ALA A 69 -1.633 1.660 11.775 1.00 15.51 C ATOM 1064 O ALA A 69 -0.402 1.641 11.718 1.00 32.13 O ATOM 1065 CB ALA A 69 -2.694 3.436 13.226 1.00 74.40 C ATOM 0 H ALA A 69 -4.475 3.182 11.540 1.00 31.32 H new ATOM 0 HA ALA A 69 -1.752 3.750 11.324 1.00 51.40 H new ATOM 0 HB1 ALA A 69 -1.764 3.494 13.791 1.00 74.40 H new ATOM 0 HB2 ALA A 69 -3.175 4.414 13.217 1.00 74.40 H new ATOM 0 HB3 ALA A 69 -3.358 2.709 13.694 1.00 74.40 H new ATOM 1071 N SER A 70 -2.408 0.559 11.788 1.00 4.12 N ATOM 1072 CA SER A 70 -1.892 -0.815 11.704 1.00 43.12 C ATOM 1073 C SER A 70 -1.243 -1.077 10.330 1.00 72.02 C ATOM 1074 O SER A 70 -0.130 -1.598 10.263 1.00 64.15 O ATOM 1075 CB SER A 70 -3.038 -1.817 11.948 1.00 12.43 C ATOM 1076 OG SER A 70 -2.600 -3.163 11.841 1.00 4.32 O ATOM 0 H SER A 70 -3.425 0.603 11.858 1.00 4.12 H new ATOM 0 HA SER A 70 -1.128 -0.945 12.470 1.00 43.12 H new ATOM 0 HB2 SER A 70 -3.460 -1.651 12.939 1.00 12.43 H new ATOM 0 HB3 SER A 70 -3.836 -1.637 11.228 1.00 12.43 H new ATOM 0 HG SER A 70 -3.355 -3.767 12.004 1.00 4.32 H new ATOM 1082 N PHE A 71 -1.951 -0.669 9.252 1.00 44.42 N ATOM 1083 CA PHE A 71 -1.533 -0.903 7.847 1.00 21.34 C ATOM 1084 C PHE A 71 -0.195 -0.196 7.552 1.00 65.20 C ATOM 1085 O PHE A 71 0.758 -0.816 7.057 1.00 0.41 O ATOM 1086 CB PHE A 71 -2.642 -0.400 6.869 1.00 2.11 C ATOM 1087 CG PHE A 71 -2.278 -0.444 5.371 1.00 13.43 C ATOM 1088 CD1 PHE A 71 -2.438 -1.609 4.624 1.00 10.21 C ATOM 1089 CD2 PHE A 71 -1.768 0.683 4.716 1.00 70.42 C ATOM 1090 CE1 PHE A 71 -2.100 -1.649 3.281 1.00 31.05 C ATOM 1091 CE2 PHE A 71 -1.435 0.641 3.374 1.00 41.21 C ATOM 1092 CZ PHE A 71 -1.596 -0.526 2.658 1.00 64.53 C ATOM 0 H PHE A 71 -2.834 -0.165 9.331 1.00 44.42 H new ATOM 0 HA PHE A 71 -1.392 -1.974 7.700 1.00 21.34 H new ATOM 0 HB2 PHE A 71 -3.538 -1.000 7.025 1.00 2.11 H new ATOM 0 HB3 PHE A 71 -2.896 0.627 7.133 1.00 2.11 H new ATOM 0 HD1 PHE A 71 -2.832 -2.495 5.099 1.00 10.21 H new ATOM 0 HD2 PHE A 71 -1.632 1.601 5.268 1.00 70.42 H new ATOM 0 HE1 PHE A 71 -2.232 -2.562 2.720 1.00 31.05 H new ATOM 0 HE2 PHE A 71 -1.048 1.524 2.886 1.00 41.21 H new ATOM 0 HZ PHE A 71 -1.328 -0.561 1.612 1.00 64.53 H new ATOM 1102 N VAL A 72 -0.157 1.114 7.847 1.00 63.13 N ATOM 1103 CA VAL A 72 1.041 1.951 7.648 1.00 4.41 C ATOM 1104 C VAL A 72 2.212 1.464 8.530 1.00 33.52 C ATOM 1105 O VAL A 72 3.362 1.475 8.088 1.00 45.01 O ATOM 1106 CB VAL A 72 0.729 3.465 7.943 1.00 71.24 C ATOM 1107 CG1 VAL A 72 1.973 4.359 7.737 1.00 61.52 C ATOM 1108 CG2 VAL A 72 -0.464 3.961 7.088 1.00 2.40 C ATOM 0 H VAL A 72 -0.954 1.623 8.230 1.00 63.13 H new ATOM 0 HA VAL A 72 1.336 1.858 6.603 1.00 4.41 H new ATOM 0 HB VAL A 72 0.448 3.541 8.993 1.00 71.24 H new ATOM 0 HG11 VAL A 72 1.715 5.396 7.951 1.00 61.52 H new ATOM 0 HG12 VAL A 72 2.768 4.037 8.409 1.00 61.52 H new ATOM 0 HG13 VAL A 72 2.314 4.275 6.705 1.00 61.52 H new ATOM 0 HG21 VAL A 72 -0.660 5.010 7.310 1.00 2.40 H new ATOM 0 HG22 VAL A 72 -0.223 3.853 6.030 1.00 2.40 H new ATOM 0 HG23 VAL A 72 -1.349 3.369 7.321 1.00 2.40 H new ATOM 1118 N ARG A 73 1.895 1.022 9.768 1.00 43.14 N ATOM 1119 CA ARG A 73 2.891 0.470 10.714 1.00 53.43 C ATOM 1120 C ARG A 73 3.590 -0.768 10.131 1.00 35.04 C ATOM 1121 O ARG A 73 4.802 -0.947 10.321 1.00 43.30 O ATOM 1122 CB ARG A 73 2.227 0.089 12.055 1.00 43.32 C ATOM 1123 CG ARG A 73 3.185 -0.474 13.123 1.00 4.22 C ATOM 1124 CD ARG A 73 2.442 -0.957 14.374 1.00 74.34 C ATOM 1125 NE ARG A 73 3.351 -1.493 15.393 1.00 74.11 N ATOM 1126 CZ ARG A 73 3.287 -2.720 15.928 1.00 11.31 C ATOM 1127 NH1 ARG A 73 2.348 -3.589 15.546 1.00 34.21 N ATOM 1128 NH2 ARG A 73 4.150 -3.069 16.850 1.00 4.23 N ATOM 0 H ARG A 73 0.945 1.038 10.138 1.00 43.14 H new ATOM 0 HA ARG A 73 3.634 1.249 10.886 1.00 53.43 H new ATOM 0 HB2 ARG A 73 1.733 0.972 12.462 1.00 43.32 H new ATOM 0 HB3 ARG A 73 1.450 -0.650 11.861 1.00 43.32 H new ATOM 0 HG2 ARG A 73 3.753 -1.302 12.698 1.00 4.22 H new ATOM 0 HG3 ARG A 73 3.904 0.295 13.404 1.00 4.22 H new ATOM 0 HD2 ARG A 73 1.873 -0.129 14.798 1.00 74.34 H new ATOM 0 HD3 ARG A 73 1.723 -1.726 14.092 1.00 74.34 H new ATOM 0 HE ARG A 73 4.096 -0.879 15.723 1.00 74.11 H new ATOM 0 HH11 ARG A 73 1.665 -3.323 14.837 1.00 34.21 H new ATOM 0 HH12 ARG A 73 2.314 -4.519 15.964 1.00 34.21 H new ATOM 0 HH21 ARG A 73 4.864 -2.408 17.156 1.00 4.23 H new ATOM 0 HH22 ARG A 73 4.107 -4.001 17.262 1.00 4.23 H new ATOM 1142 N GLN A 74 2.814 -1.608 9.404 1.00 70.42 N ATOM 1143 CA GLN A 74 3.361 -2.795 8.722 1.00 71.25 C ATOM 1144 C GLN A 74 4.423 -2.353 7.705 1.00 61.11 C ATOM 1145 O GLN A 74 5.528 -2.882 7.706 1.00 3.20 O ATOM 1146 CB GLN A 74 2.263 -3.630 8.002 1.00 24.42 C ATOM 1147 CG GLN A 74 1.098 -4.109 8.894 1.00 31.32 C ATOM 1148 CD GLN A 74 1.516 -4.967 10.090 1.00 21.41 C ATOM 1149 OE1 GLN A 74 2.480 -5.727 10.029 1.00 11.22 O ATOM 1150 NE2 GLN A 74 0.788 -4.845 11.194 1.00 22.52 N ATOM 0 H GLN A 74 1.810 -1.482 9.278 1.00 70.42 H new ATOM 0 HA GLN A 74 3.804 -3.435 9.485 1.00 71.25 H new ATOM 0 HB2 GLN A 74 1.852 -3.032 7.188 1.00 24.42 H new ATOM 0 HB3 GLN A 74 2.734 -4.503 7.550 1.00 24.42 H new ATOM 0 HG2 GLN A 74 0.558 -3.236 9.262 1.00 31.32 H new ATOM 0 HG3 GLN A 74 0.401 -4.680 8.281 1.00 31.32 H new ATOM 0 HE21 GLN A 74 -0.006 -4.205 11.213 1.00 22.52 H new ATOM 0 HE22 GLN A 74 1.023 -5.391 12.023 1.00 22.52 H new ATOM 1159 N LEU A 75 4.070 -1.338 6.882 1.00 73.53 N ATOM 1160 CA LEU A 75 4.950 -0.777 5.834 1.00 44.43 C ATOM 1161 C LEU A 75 6.206 -0.126 6.441 1.00 54.03 C ATOM 1162 O LEU A 75 7.289 -0.209 5.865 1.00 62.34 O ATOM 1163 CB LEU A 75 4.167 0.242 4.961 1.00 34.03 C ATOM 1164 CG LEU A 75 2.978 -0.358 4.150 1.00 21.31 C ATOM 1165 CD1 LEU A 75 2.152 0.745 3.474 1.00 74.10 C ATOM 1166 CD2 LEU A 75 3.469 -1.394 3.114 1.00 52.15 C ATOM 0 H LEU A 75 3.158 -0.883 6.928 1.00 73.53 H new ATOM 0 HA LEU A 75 5.282 -1.598 5.199 1.00 44.43 H new ATOM 0 HB2 LEU A 75 3.784 1.032 5.607 1.00 34.03 H new ATOM 0 HB3 LEU A 75 4.862 0.710 4.264 1.00 34.03 H new ATOM 0 HG LEU A 75 2.330 -0.876 4.857 1.00 21.31 H new ATOM 0 HD11 LEU A 75 1.331 0.295 2.916 1.00 74.10 H new ATOM 0 HD12 LEU A 75 1.750 1.416 4.233 1.00 74.10 H new ATOM 0 HD13 LEU A 75 2.788 1.309 2.791 1.00 74.10 H new ATOM 0 HD21 LEU A 75 2.616 -1.793 2.566 1.00 52.15 H new ATOM 0 HD22 LEU A 75 4.156 -0.914 2.417 1.00 52.15 H new ATOM 0 HD23 LEU A 75 3.982 -2.207 3.628 1.00 52.15 H new ATOM 1178 N ASN A 76 6.038 0.514 7.607 1.00 21.33 N ATOM 1179 CA ASN A 76 7.158 1.066 8.402 1.00 43.11 C ATOM 1180 C ASN A 76 8.141 -0.048 8.819 1.00 24.42 C ATOM 1181 O ASN A 76 9.363 0.118 8.731 1.00 62.11 O ATOM 1182 CB ASN A 76 6.619 1.826 9.651 1.00 31.15 C ATOM 1183 CG ASN A 76 5.813 3.082 9.295 1.00 21.31 C ATOM 1184 OD1 ASN A 76 6.093 3.762 8.309 1.00 44.31 O ATOM 1185 ND2 ASN A 76 4.798 3.388 10.088 1.00 5.14 N ATOM 0 H ASN A 76 5.123 0.667 8.031 1.00 21.33 H new ATOM 0 HA ASN A 76 7.702 1.775 7.778 1.00 43.11 H new ATOM 0 HB2 ASN A 76 5.991 1.153 10.234 1.00 31.15 H new ATOM 0 HB3 ASN A 76 7.459 2.109 10.286 1.00 31.15 H new ATOM 0 HD21 ASN A 76 4.224 4.207 9.888 1.00 5.14 H new ATOM 0 HD22 ASN A 76 4.590 2.805 10.899 1.00 5.14 H new ATOM 1192 N MET A 77 7.580 -1.192 9.241 1.00 0.43 N ATOM 1193 CA MET A 77 8.363 -2.386 9.611 1.00 55.23 C ATOM 1194 C MET A 77 8.876 -3.112 8.352 1.00 51.24 C ATOM 1195 O MET A 77 9.846 -3.846 8.424 1.00 64.14 O ATOM 1196 CB MET A 77 7.525 -3.344 10.509 1.00 74.34 C ATOM 1197 CG MET A 77 7.137 -2.760 11.876 1.00 52.30 C ATOM 1198 SD MET A 77 6.234 -3.935 12.919 1.00 52.23 S ATOM 1199 CE MET A 77 4.748 -4.233 11.955 1.00 34.23 C ATOM 0 H MET A 77 6.572 -1.317 9.336 1.00 0.43 H new ATOM 0 HA MET A 77 9.228 -2.061 10.189 1.00 55.23 H new ATOM 0 HB2 MET A 77 6.616 -3.620 9.975 1.00 74.34 H new ATOM 0 HB3 MET A 77 8.092 -4.261 10.668 1.00 74.34 H new ATOM 0 HG2 MET A 77 8.039 -2.439 12.397 1.00 52.30 H new ATOM 0 HG3 MET A 77 6.524 -1.872 11.724 1.00 52.30 H new ATOM 0 HE1 MET A 77 4.031 -4.793 12.556 1.00 34.23 H new ATOM 0 HE2 MET A 77 4.309 -3.280 11.660 1.00 34.23 H new ATOM 0 HE3 MET A 77 5.001 -4.807 11.064 1.00 34.23 H new ATOM 1209 N TYR A 78 8.223 -2.874 7.197 1.00 31.24 N ATOM 1210 CA TYR A 78 8.673 -3.389 5.877 1.00 14.53 C ATOM 1211 C TYR A 78 9.762 -2.476 5.254 1.00 53.43 C ATOM 1212 O TYR A 78 10.318 -2.791 4.190 1.00 60.42 O ATOM 1213 CB TYR A 78 7.462 -3.555 4.908 1.00 71.33 C ATOM 1214 CG TYR A 78 6.599 -4.813 5.123 1.00 51.11 C ATOM 1215 CD1 TYR A 78 7.162 -6.088 5.051 1.00 12.55 C ATOM 1216 CD2 TYR A 78 5.226 -4.739 5.363 1.00 33.52 C ATOM 1217 CE1 TYR A 78 6.398 -7.228 5.205 1.00 41.21 C ATOM 1218 CE2 TYR A 78 4.462 -5.876 5.526 1.00 33.32 C ATOM 1219 CZ TYR A 78 5.050 -7.118 5.448 1.00 64.32 C ATOM 1220 OH TYR A 78 4.283 -8.255 5.601 1.00 15.02 O ATOM 0 H TYR A 78 7.368 -2.320 7.147 1.00 31.24 H new ATOM 0 HA TYR A 78 9.120 -4.370 6.037 1.00 14.53 H new ATOM 0 HB2 TYR A 78 6.822 -2.678 5.003 1.00 71.33 H new ATOM 0 HB3 TYR A 78 7.838 -3.566 3.885 1.00 71.33 H new ATOM 0 HD1 TYR A 78 8.222 -6.186 4.870 1.00 12.55 H new ATOM 0 HD2 TYR A 78 4.751 -3.771 5.422 1.00 33.52 H new ATOM 0 HE1 TYR A 78 6.858 -8.202 5.135 1.00 41.21 H new ATOM 0 HE2 TYR A 78 3.402 -5.792 5.715 1.00 33.32 H new ATOM 0 HH TYR A 78 3.416 -8.015 5.989 1.00 15.02 H new ATOM 1230 N GLY A 79 10.060 -1.352 5.934 1.00 24.01 N ATOM 1231 CA GLY A 79 11.141 -0.442 5.534 1.00 22.41 C ATOM 1232 C GLY A 79 10.788 0.487 4.375 1.00 13.22 C ATOM 1233 O GLY A 79 11.692 1.050 3.744 1.00 13.21 O ATOM 0 H GLY A 79 9.559 -1.054 6.771 1.00 24.01 H new ATOM 0 HA2 GLY A 79 11.427 0.163 6.394 1.00 22.41 H new ATOM 0 HA3 GLY A 79 12.013 -1.034 5.256 1.00 22.41 H new ATOM 1237 N PHE A 80 9.473 0.651 4.089 1.00 12.41 N ATOM 1238 CA PHE A 80 8.973 1.567 3.029 1.00 11.31 C ATOM 1239 C PHE A 80 9.261 3.027 3.403 1.00 23.04 C ATOM 1240 O PHE A 80 9.358 3.363 4.582 1.00 12.40 O ATOM 1241 CB PHE A 80 7.439 1.379 2.777 1.00 5.02 C ATOM 1242 CG PHE A 80 7.071 0.197 1.873 1.00 34.31 C ATOM 1243 CD1 PHE A 80 7.257 -1.118 2.291 1.00 21.42 C ATOM 1244 CD2 PHE A 80 6.524 0.406 0.598 1.00 21.52 C ATOM 1245 CE1 PHE A 80 6.922 -2.183 1.469 1.00 61.21 C ATOM 1246 CE2 PHE A 80 6.190 -0.660 -0.220 1.00 44.43 C ATOM 1247 CZ PHE A 80 6.384 -1.954 0.216 1.00 72.43 C ATOM 0 H PHE A 80 8.731 0.155 4.583 1.00 12.41 H new ATOM 0 HA PHE A 80 9.501 1.317 2.108 1.00 11.31 H new ATOM 0 HB2 PHE A 80 6.941 1.251 3.738 1.00 5.02 H new ATOM 0 HB3 PHE A 80 7.044 2.293 2.333 1.00 5.02 H new ATOM 0 HD1 PHE A 80 7.669 -1.311 3.271 1.00 21.42 H new ATOM 0 HD2 PHE A 80 6.361 1.415 0.249 1.00 21.52 H new ATOM 0 HE1 PHE A 80 7.082 -3.196 1.809 1.00 61.21 H new ATOM 0 HE2 PHE A 80 5.777 -0.478 -1.201 1.00 44.43 H new ATOM 0 HZ PHE A 80 6.117 -2.786 -0.419 1.00 72.43 H new ATOM 1257 N ARG A 81 9.369 3.895 2.398 1.00 64.35 N ATOM 1258 CA ARG A 81 9.667 5.313 2.584 1.00 73.30 C ATOM 1259 C ARG A 81 8.365 6.117 2.499 1.00 50.03 C ATOM 1260 O ARG A 81 7.641 6.032 1.494 1.00 11.21 O ATOM 1261 CB ARG A 81 10.672 5.773 1.498 1.00 4.43 C ATOM 1262 CG ARG A 81 11.171 7.229 1.638 1.00 22.04 C ATOM 1263 CD ARG A 81 12.096 7.643 0.481 1.00 15.25 C ATOM 1264 NE ARG A 81 13.172 6.656 0.263 1.00 32.05 N ATOM 1265 CZ ARG A 81 13.656 6.261 -0.934 1.00 44.45 C ATOM 1266 NH1 ARG A 81 13.183 6.773 -2.074 1.00 3.51 N ATOM 1267 NH2 ARG A 81 14.594 5.333 -0.983 1.00 35.02 N ATOM 0 H ARG A 81 9.250 3.629 1.420 1.00 64.35 H new ATOM 0 HA ARG A 81 10.116 5.478 3.563 1.00 73.30 H new ATOM 0 HB2 ARG A 81 11.534 5.107 1.518 1.00 4.43 H new ATOM 0 HB3 ARG A 81 10.204 5.659 0.520 1.00 4.43 H new ATOM 0 HG2 ARG A 81 10.315 7.902 1.674 1.00 22.04 H new ATOM 0 HG3 ARG A 81 11.703 7.339 2.583 1.00 22.04 H new ATOM 0 HD2 ARG A 81 11.511 7.751 -0.432 1.00 15.25 H new ATOM 0 HD3 ARG A 81 12.534 8.618 0.696 1.00 15.25 H new ATOM 0 HE ARG A 81 13.588 6.234 1.093 1.00 32.05 H new ATOM 0 HH11 ARG A 81 12.443 7.475 -2.050 1.00 3.51 H new ATOM 0 HH12 ARG A 81 13.562 6.462 -2.969 1.00 3.51 H new ATOM 0 HH21 ARG A 81 14.948 4.920 -0.120 1.00 35.02 H new ATOM 0 HH22 ARG A 81 14.965 5.029 -1.884 1.00 35.02 H new ATOM 1281 N LYS A 82 8.077 6.865 3.572 1.00 22.34 N ATOM 1282 CA LYS A 82 6.916 7.749 3.688 1.00 14.13 C ATOM 1283 C LYS A 82 7.170 9.039 2.892 1.00 73.14 C ATOM 1284 O LYS A 82 8.188 9.708 3.107 1.00 24.43 O ATOM 1285 CB LYS A 82 6.682 8.060 5.206 1.00 72.22 C ATOM 1286 CG LYS A 82 5.706 9.216 5.529 1.00 24.00 C ATOM 1287 CD LYS A 82 4.277 8.985 5.005 1.00 20.14 C ATOM 1288 CE LYS A 82 3.335 10.154 5.335 1.00 73.41 C ATOM 1289 NZ LYS A 82 3.170 10.358 6.798 1.00 32.35 N ATOM 0 H LYS A 82 8.664 6.870 4.406 1.00 22.34 H new ATOM 0 HA LYS A 82 6.026 7.271 3.279 1.00 14.13 H new ATOM 0 HB2 LYS A 82 6.311 7.155 5.687 1.00 72.22 H new ATOM 0 HB3 LYS A 82 7.646 8.290 5.660 1.00 72.22 H new ATOM 0 HG2 LYS A 82 5.669 9.357 6.609 1.00 24.00 H new ATOM 0 HG3 LYS A 82 6.096 10.139 5.100 1.00 24.00 H new ATOM 0 HD2 LYS A 82 4.308 8.841 3.925 1.00 20.14 H new ATOM 0 HD3 LYS A 82 3.878 8.067 5.438 1.00 20.14 H new ATOM 0 HE2 LYS A 82 3.724 11.068 4.886 1.00 73.41 H new ATOM 0 HE3 LYS A 82 2.360 9.968 4.885 1.00 73.41 H new ATOM 0 HZ1 LYS A 82 2.426 11.064 6.968 1.00 32.35 H new ATOM 0 HZ2 LYS A 82 2.903 9.458 7.246 1.00 32.35 H new ATOM 0 HZ3 LYS A 82 4.066 10.695 7.205 1.00 32.35 H new ATOM 1303 N VAL A 83 6.270 9.359 1.945 1.00 23.35 N ATOM 1304 CA VAL A 83 6.262 10.648 1.238 1.00 60.45 C ATOM 1305 C VAL A 83 4.850 11.267 1.382 1.00 11.11 C ATOM 1306 O VAL A 83 3.887 10.746 0.818 1.00 71.14 O ATOM 1307 CB VAL A 83 6.645 10.470 -0.290 1.00 1.15 C ATOM 1308 CG1 VAL A 83 6.712 11.825 -1.019 1.00 31.25 C ATOM 1309 CG2 VAL A 83 7.970 9.686 -0.458 1.00 63.42 C ATOM 0 H VAL A 83 5.526 8.727 1.649 1.00 23.35 H new ATOM 0 HA VAL A 83 7.009 11.310 1.676 1.00 60.45 H new ATOM 0 HB VAL A 83 5.851 9.883 -0.751 1.00 1.15 H new ATOM 0 HG11 VAL A 83 6.977 11.663 -2.064 1.00 31.25 H new ATOM 0 HG12 VAL A 83 5.741 12.317 -0.963 1.00 31.25 H new ATOM 0 HG13 VAL A 83 7.466 12.455 -0.547 1.00 31.25 H new ATOM 0 HG21 VAL A 83 8.200 9.584 -1.518 1.00 63.42 H new ATOM 0 HG22 VAL A 83 8.777 10.225 0.038 1.00 63.42 H new ATOM 0 HG23 VAL A 83 7.866 8.697 -0.012 1.00 63.42 H new ATOM 1319 N VAL A 84 4.732 12.350 2.177 1.00 0.33 N ATOM 1320 CA VAL A 84 3.447 13.044 2.426 1.00 2.05 C ATOM 1321 C VAL A 84 3.249 14.161 1.376 1.00 61.05 C ATOM 1322 O VAL A 84 4.123 15.020 1.196 1.00 13.43 O ATOM 1323 CB VAL A 84 3.365 13.624 3.900 1.00 0.45 C ATOM 1324 CG1 VAL A 84 4.559 14.534 4.252 1.00 50.13 C ATOM 1325 CG2 VAL A 84 2.018 14.343 4.155 1.00 74.22 C ATOM 0 H VAL A 84 5.523 12.770 2.665 1.00 0.33 H new ATOM 0 HA VAL A 84 2.641 12.317 2.330 1.00 2.05 H new ATOM 0 HB VAL A 84 3.420 12.765 4.569 1.00 0.45 H new ATOM 0 HG11 VAL A 84 4.448 14.901 5.272 1.00 50.13 H new ATOM 0 HG12 VAL A 84 5.486 13.966 4.169 1.00 50.13 H new ATOM 0 HG13 VAL A 84 4.588 15.379 3.564 1.00 50.13 H new ATOM 0 HG21 VAL A 84 1.998 14.727 5.175 1.00 74.22 H new ATOM 0 HG22 VAL A 84 1.908 15.170 3.453 1.00 74.22 H new ATOM 0 HG23 VAL A 84 1.198 13.639 4.016 1.00 74.22 H new ATOM 1335 N HIS A 85 2.119 14.109 0.649 1.00 74.22 N ATOM 1336 CA HIS A 85 1.821 15.056 -0.450 1.00 15.43 C ATOM 1337 C HIS A 85 0.707 16.043 -0.064 1.00 30.30 C ATOM 1338 O HIS A 85 0.605 17.117 -0.668 1.00 53.13 O ATOM 1339 CB HIS A 85 1.448 14.300 -1.745 1.00 15.31 C ATOM 1340 CG HIS A 85 2.588 13.535 -2.379 1.00 61.03 C ATOM 1341 ND1 HIS A 85 3.353 14.049 -3.407 1.00 3.14 N ATOM 1342 CD2 HIS A 85 3.073 12.286 -2.149 1.00 51.51 C ATOM 1343 CE1 HIS A 85 4.245 13.157 -3.778 1.00 2.43 C ATOM 1344 NE2 HIS A 85 4.105 12.082 -3.037 1.00 51.21 N ATOM 0 H HIS A 85 1.388 13.415 0.802 1.00 74.22 H new ATOM 0 HA HIS A 85 2.727 15.633 -0.634 1.00 15.43 H new ATOM 0 HB2 HIS A 85 0.640 13.603 -1.523 1.00 15.31 H new ATOM 0 HB3 HIS A 85 1.061 15.017 -2.470 1.00 15.31 H new ATOM 0 HD2 HIS A 85 2.716 11.585 -1.409 1.00 51.51 H new ATOM 0 HE1 HIS A 85 4.974 13.287 -4.564 1.00 2.43 H new ATOM 0 HE2 HIS A 85 4.669 11.235 -3.108 1.00 51.21 H new ATOM 1353 N ILE A 86 -0.156 15.677 0.913 1.00 51.41 N ATOM 1354 CA ILE A 86 -1.199 16.586 1.422 1.00 62.44 C ATOM 1355 C ILE A 86 -1.009 16.798 2.929 1.00 11.31 C ATOM 1356 O ILE A 86 -1.366 15.929 3.735 1.00 21.24 O ATOM 1357 CB ILE A 86 -2.678 16.079 1.161 1.00 34.10 C ATOM 1358 CG1 ILE A 86 -2.901 15.605 -0.310 1.00 62.03 C ATOM 1359 CG2 ILE A 86 -3.701 17.188 1.532 1.00 71.44 C ATOM 1360 CD1 ILE A 86 -2.775 16.676 -1.378 1.00 21.25 C ATOM 0 H ILE A 86 -0.147 14.760 1.361 1.00 51.41 H new ATOM 0 HA ILE A 86 -1.080 17.518 0.870 1.00 62.44 H new ATOM 0 HB ILE A 86 -2.835 15.211 1.801 1.00 34.10 H new ATOM 0 HG12 ILE A 86 -2.183 14.814 -0.529 1.00 62.03 H new ATOM 0 HG13 ILE A 86 -3.895 15.163 -0.382 1.00 62.03 H new ATOM 0 HG21 ILE A 86 -4.713 16.826 1.348 1.00 71.44 H new ATOM 0 HG22 ILE A 86 -3.594 17.444 2.586 1.00 71.44 H new ATOM 0 HG23 ILE A 86 -3.516 18.073 0.923 1.00 71.44 H new ATOM 0 HD11 ILE A 86 -2.949 16.234 -2.359 1.00 21.25 H new ATOM 0 HD12 ILE A 86 -3.511 17.459 -1.197 1.00 21.25 H new ATOM 0 HD13 ILE A 86 -1.774 17.105 -1.346 1.00 21.25 H new ATOM 1372 N GLU A 87 -0.422 17.943 3.297 1.00 12.45 N ATOM 1373 CA GLU A 87 -0.333 18.383 4.697 1.00 41.44 C ATOM 1374 C GLU A 87 -1.679 18.988 5.126 1.00 44.12 C ATOM 1375 O GLU A 87 -2.174 19.916 4.482 1.00 40.31 O ATOM 1376 CB GLU A 87 0.806 19.415 4.865 1.00 62.23 C ATOM 1377 CG GLU A 87 2.206 18.871 4.524 1.00 62.12 C ATOM 1378 CD GLU A 87 3.305 19.944 4.607 1.00 3.03 C ATOM 1379 OE1 GLU A 87 3.327 20.846 3.734 1.00 65.44 O ATOM 1380 OE2 GLU A 87 4.156 19.886 5.527 1.00 2.44 O ATOM 0 H GLU A 87 0.005 18.591 2.635 1.00 12.45 H new ATOM 0 HA GLU A 87 -0.108 17.526 5.332 1.00 41.44 H new ATOM 0 HB2 GLU A 87 0.598 20.276 4.229 1.00 62.23 H new ATOM 0 HB3 GLU A 87 0.808 19.773 5.895 1.00 62.23 H new ATOM 0 HG2 GLU A 87 2.449 18.056 5.206 1.00 62.12 H new ATOM 0 HG3 GLU A 87 2.191 18.451 3.518 1.00 62.12 H new ATOM 1387 N GLN A 88 -2.253 18.460 6.214 1.00 54.25 N ATOM 1388 CA GLN A 88 -3.595 18.849 6.697 1.00 72.22 C ATOM 1389 C GLN A 88 -3.602 20.266 7.290 1.00 73.10 C ATOM 1390 O GLN A 88 -2.801 20.582 8.172 1.00 62.15 O ATOM 1391 CB GLN A 88 -4.096 17.821 7.745 1.00 71.05 C ATOM 1392 CG GLN A 88 -4.238 16.383 7.204 1.00 20.42 C ATOM 1393 CD GLN A 88 -5.233 16.258 6.042 1.00 63.13 C ATOM 1394 OE1 GLN A 88 -6.188 17.024 5.927 1.00 64.34 O ATOM 1395 NE2 GLN A 88 -5.026 15.288 5.178 1.00 12.10 N ATOM 0 H GLN A 88 -1.803 17.748 6.790 1.00 54.25 H new ATOM 0 HA GLN A 88 -4.270 18.853 5.841 1.00 72.22 H new ATOM 0 HB2 GLN A 88 -3.406 17.813 8.588 1.00 71.05 H new ATOM 0 HB3 GLN A 88 -5.062 18.150 8.127 1.00 71.05 H new ATOM 0 HG2 GLN A 88 -3.261 16.030 6.874 1.00 20.42 H new ATOM 0 HG3 GLN A 88 -4.556 15.728 8.015 1.00 20.42 H new ATOM 0 HE21 GLN A 88 -4.227 14.664 5.293 1.00 12.10 H new ATOM 0 HE22 GLN A 88 -5.664 15.160 4.393 1.00 12.10 H new ATOM 1404 N GLY A 89 -4.512 21.102 6.770 1.00 44.53 N ATOM 1405 CA GLY A 89 -4.697 22.466 7.247 1.00 72.02 C ATOM 1406 C GLY A 89 -5.261 23.391 6.178 1.00 22.43 C ATOM 1407 O GLY A 89 -5.775 22.940 5.144 1.00 24.34 O ATOM 0 H GLY A 89 -5.137 20.844 6.007 1.00 44.53 H new ATOM 0 HA2 GLY A 89 -5.368 22.458 8.106 1.00 72.02 H new ATOM 0 HA3 GLY A 89 -3.741 22.858 7.593 1.00 72.02 H new ATOM 1411 N GLY A 90 -5.136 24.697 6.438 1.00 72.13 N ATOM 1412 CA GLY A 90 -5.723 25.748 5.598 1.00 50.32 C ATOM 1413 C GLY A 90 -4.865 26.069 4.379 1.00 44.14 C ATOM 1414 O GLY A 90 -4.234 27.131 4.305 1.00 20.21 O ATOM 0 H GLY A 90 -4.622 25.057 7.242 1.00 72.13 H new ATOM 0 HA2 GLY A 90 -6.714 25.434 5.269 1.00 50.32 H new ATOM 0 HA3 GLY A 90 -5.856 26.652 6.193 1.00 50.32 H new ATOM 1418 N LEU A 91 -4.849 25.132 3.418 1.00 71.35 N ATOM 1419 CA LEU A 91 -4.027 25.209 2.194 1.00 43.24 C ATOM 1420 C LEU A 91 -4.928 25.079 0.941 1.00 30.35 C ATOM 1421 O LEU A 91 -6.159 24.981 1.061 1.00 12.13 O ATOM 1422 CB LEU A 91 -2.937 24.090 2.260 1.00 52.23 C ATOM 1423 CG LEU A 91 -1.904 24.230 3.428 1.00 40.51 C ATOM 1424 CD1 LEU A 91 -0.944 23.021 3.503 1.00 10.41 C ATOM 1425 CD2 LEU A 91 -1.121 25.555 3.330 1.00 31.24 C ATOM 0 H LEU A 91 -5.415 24.285 3.468 1.00 71.35 H new ATOM 0 HA LEU A 91 -3.527 26.175 2.123 1.00 43.24 H new ATOM 0 HB2 LEU A 91 -3.436 23.125 2.352 1.00 52.23 H new ATOM 0 HB3 LEU A 91 -2.393 24.079 1.315 1.00 52.23 H new ATOM 0 HG LEU A 91 -2.476 24.245 4.356 1.00 40.51 H new ATOM 0 HD11 LEU A 91 -0.245 23.162 4.328 1.00 10.41 H new ATOM 0 HD12 LEU A 91 -1.519 22.109 3.666 1.00 10.41 H new ATOM 0 HD13 LEU A 91 -0.390 22.938 2.568 1.00 10.41 H new ATOM 0 HD21 LEU A 91 -0.412 25.621 4.156 1.00 31.24 H new ATOM 0 HD22 LEU A 91 -0.580 25.589 2.384 1.00 31.24 H new ATOM 0 HD23 LEU A 91 -1.816 26.393 3.381 1.00 31.24 H new ATOM 1437 N VAL A 92 -4.309 25.051 -0.257 1.00 71.30 N ATOM 1438 CA VAL A 92 -5.027 24.961 -1.559 1.00 55.24 C ATOM 1439 C VAL A 92 -5.380 23.482 -1.899 1.00 52.43 C ATOM 1440 O VAL A 92 -5.510 23.087 -3.064 1.00 41.34 O ATOM 1441 CB VAL A 92 -4.169 25.648 -2.704 1.00 72.10 C ATOM 1442 CG1 VAL A 92 -2.906 24.839 -3.080 1.00 53.31 C ATOM 1443 CG2 VAL A 92 -5.036 25.990 -3.951 1.00 31.22 C ATOM 0 H VAL A 92 -3.295 25.090 -0.356 1.00 71.30 H new ATOM 0 HA VAL A 92 -5.970 25.501 -1.481 1.00 55.24 H new ATOM 0 HB VAL A 92 -3.810 26.591 -2.291 1.00 72.10 H new ATOM 0 HG11 VAL A 92 -2.361 25.360 -3.868 1.00 53.31 H new ATOM 0 HG12 VAL A 92 -2.266 24.736 -2.204 1.00 53.31 H new ATOM 0 HG13 VAL A 92 -3.199 23.851 -3.434 1.00 53.31 H new ATOM 0 HG21 VAL A 92 -4.411 26.459 -4.711 1.00 31.22 H new ATOM 0 HG22 VAL A 92 -5.472 25.075 -4.353 1.00 31.22 H new ATOM 0 HG23 VAL A 92 -5.833 26.676 -3.663 1.00 31.22 H new ATOM 1453 N LYS A 93 -5.593 22.681 -0.845 1.00 70.02 N ATOM 1454 CA LYS A 93 -5.823 21.233 -0.928 1.00 11.33 C ATOM 1455 C LYS A 93 -7.017 20.863 -0.028 1.00 32.33 C ATOM 1456 O LYS A 93 -7.191 21.483 1.029 1.00 4.52 O ATOM 1457 CB LYS A 93 -4.561 20.463 -0.433 1.00 11.24 C ATOM 1458 CG LYS A 93 -3.237 20.854 -1.120 1.00 31.13 C ATOM 1459 CD LYS A 93 -1.996 20.132 -0.514 1.00 34.42 C ATOM 1460 CE LYS A 93 -1.557 20.673 0.858 1.00 44.03 C ATOM 1461 NZ LYS A 93 -2.576 20.484 1.926 1.00 30.12 N ATOM 0 H LYS A 93 -5.610 23.032 0.113 1.00 70.02 H new ATOM 0 HA LYS A 93 -6.029 20.961 -1.963 1.00 11.33 H new ATOM 0 HB2 LYS A 93 -4.455 20.624 0.640 1.00 11.24 H new ATOM 0 HB3 LYS A 93 -4.726 19.396 -0.581 1.00 11.24 H new ATOM 0 HG2 LYS A 93 -3.303 20.620 -2.182 1.00 31.13 H new ATOM 0 HG3 LYS A 93 -3.098 21.932 -1.040 1.00 31.13 H new ATOM 0 HD2 LYS A 93 -2.219 19.069 -0.418 1.00 34.42 H new ATOM 0 HD3 LYS A 93 -1.162 20.221 -1.210 1.00 34.42 H new ATOM 0 HE2 LYS A 93 -0.634 20.177 1.156 1.00 44.03 H new ATOM 0 HE3 LYS A 93 -1.332 21.736 0.765 1.00 44.03 H new ATOM 0 HZ1 LYS A 93 -2.100 20.360 2.842 1.00 30.12 H new ATOM 0 HZ2 LYS A 93 -3.194 21.319 1.968 1.00 30.12 H new ATOM 0 HZ3 LYS A 93 -3.147 19.641 1.716 1.00 30.12 H new ATOM 1475 N PRO A 94 -7.844 19.848 -0.406 1.00 74.44 N ATOM 1476 CA PRO A 94 -8.890 19.305 0.493 1.00 42.44 C ATOM 1477 C PRO A 94 -8.271 18.511 1.671 1.00 43.24 C ATOM 1478 O PRO A 94 -7.050 18.296 1.722 1.00 35.22 O ATOM 1479 CB PRO A 94 -9.717 18.397 -0.444 1.00 13.22 C ATOM 1480 CG PRO A 94 -8.765 17.985 -1.517 1.00 5.32 C ATOM 1481 CD PRO A 94 -7.841 19.163 -1.726 1.00 43.41 C ATOM 0 HA PRO A 94 -9.491 20.079 0.971 1.00 42.44 H new ATOM 0 HB2 PRO A 94 -10.110 17.531 0.090 1.00 13.22 H new ATOM 0 HB3 PRO A 94 -10.572 18.931 -0.858 1.00 13.22 H new ATOM 0 HG2 PRO A 94 -8.205 17.097 -1.223 1.00 5.32 H new ATOM 0 HG3 PRO A 94 -9.296 17.737 -2.436 1.00 5.32 H new ATOM 0 HD2 PRO A 94 -6.839 18.841 -2.008 1.00 43.41 H new ATOM 0 HD3 PRO A 94 -8.200 19.819 -2.519 1.00 43.41 H new ATOM 1489 N GLU A 95 -9.131 18.050 2.593 1.00 42.21 N ATOM 1490 CA GLU A 95 -8.699 17.321 3.811 1.00 51.15 C ATOM 1491 C GLU A 95 -8.398 15.830 3.538 1.00 22.20 C ATOM 1492 O GLU A 95 -8.249 15.033 4.478 1.00 11.11 O ATOM 1493 CB GLU A 95 -9.755 17.492 4.926 1.00 63.34 C ATOM 1494 CG GLU A 95 -11.163 16.979 4.559 1.00 22.24 C ATOM 1495 CD GLU A 95 -12.188 17.202 5.675 1.00 54.25 C ATOM 1496 OE1 GLU A 95 -12.676 18.345 5.828 1.00 11.14 O ATOM 1497 OE2 GLU A 95 -12.495 16.247 6.420 1.00 33.14 O ATOM 0 H GLU A 95 -10.142 18.168 2.522 1.00 42.21 H new ATOM 0 HA GLU A 95 -7.758 17.759 4.144 1.00 51.15 H new ATOM 0 HB2 GLU A 95 -9.412 16.967 5.817 1.00 63.34 H new ATOM 0 HB3 GLU A 95 -9.823 18.549 5.185 1.00 63.34 H new ATOM 0 HG2 GLU A 95 -11.503 17.483 3.654 1.00 22.24 H new ATOM 0 HG3 GLU A 95 -11.108 15.915 4.330 1.00 22.24 H new ATOM 1504 N ARG A 96 -8.290 15.469 2.248 1.00 53.45 N ATOM 1505 CA ARG A 96 -7.800 14.152 1.818 1.00 51.54 C ATOM 1506 C ARG A 96 -6.330 13.995 2.227 1.00 61.23 C ATOM 1507 O ARG A 96 -5.617 14.983 2.397 1.00 74.01 O ATOM 1508 CB ARG A 96 -7.916 13.983 0.271 1.00 15.12 C ATOM 1509 CG ARG A 96 -6.905 14.816 -0.568 1.00 43.44 C ATOM 1510 CD ARG A 96 -7.007 14.581 -2.093 1.00 22.42 C ATOM 1511 NE ARG A 96 -5.940 15.299 -2.814 1.00 32.15 N ATOM 1512 CZ ARG A 96 -6.042 15.825 -4.042 1.00 42.31 C ATOM 1513 NH1 ARG A 96 -7.170 15.738 -4.746 1.00 33.22 N ATOM 1514 NH2 ARG A 96 -4.995 16.427 -4.575 1.00 0.53 N ATOM 0 H ARG A 96 -8.541 16.085 1.474 1.00 53.45 H new ATOM 0 HA ARG A 96 -8.413 13.389 2.299 1.00 51.54 H new ATOM 0 HB2 ARG A 96 -7.784 12.929 0.027 1.00 15.12 H new ATOM 0 HB3 ARG A 96 -8.927 14.256 -0.033 1.00 15.12 H new ATOM 0 HG2 ARG A 96 -7.064 15.875 -0.363 1.00 43.44 H new ATOM 0 HG3 ARG A 96 -5.893 14.576 -0.241 1.00 43.44 H new ATOM 0 HD2 ARG A 96 -6.939 13.514 -2.305 1.00 22.42 H new ATOM 0 HD3 ARG A 96 -7.981 14.915 -2.451 1.00 22.42 H new ATOM 0 HE ARG A 96 -5.045 15.405 -2.336 1.00 32.15 H new ATOM 0 HH11 ARG A 96 -7.982 15.262 -4.352 1.00 33.22 H new ATOM 0 HH12 ARG A 96 -7.222 16.147 -5.679 1.00 33.22 H new ATOM 0 HH21 ARG A 96 -4.121 16.488 -4.053 1.00 0.53 H new ATOM 0 HH22 ARG A 96 -5.060 16.831 -5.509 1.00 0.53 H new ATOM 1528 N ASP A 97 -5.887 12.765 2.405 1.00 52.24 N ATOM 1529 CA ASP A 97 -4.451 12.454 2.498 1.00 33.15 C ATOM 1530 C ASP A 97 -3.997 11.842 1.183 1.00 64.43 C ATOM 1531 O ASP A 97 -4.768 11.149 0.528 1.00 11.30 O ATOM 1532 CB ASP A 97 -4.138 11.498 3.672 1.00 51.11 C ATOM 1533 CG ASP A 97 -4.143 12.208 5.031 1.00 3.10 C ATOM 1534 OD1 ASP A 97 -3.095 12.785 5.416 1.00 53.15 O ATOM 1535 OD2 ASP A 97 -5.189 12.219 5.709 1.00 0.21 O ATOM 0 H ASP A 97 -6.496 11.951 2.490 1.00 52.24 H new ATOM 0 HA ASP A 97 -3.909 13.380 2.691 1.00 33.15 H new ATOM 0 HB2 ASP A 97 -4.872 10.693 3.685 1.00 51.11 H new ATOM 0 HB3 ASP A 97 -3.163 11.038 3.511 1.00 51.11 H new ATOM 1540 N ASP A 98 -2.760 12.145 0.788 1.00 54.40 N ATOM 1541 CA ASP A 98 -2.071 11.468 -0.310 1.00 22.02 C ATOM 1542 C ASP A 98 -0.701 11.047 0.201 1.00 65.42 C ATOM 1543 O ASP A 98 0.143 11.898 0.512 1.00 20.12 O ATOM 1544 CB ASP A 98 -1.932 12.354 -1.566 1.00 51.12 C ATOM 1545 CG ASP A 98 -1.270 11.606 -2.743 1.00 12.24 C ATOM 1546 OD1 ASP A 98 -0.033 11.590 -2.836 1.00 12.25 O ATOM 1547 OD2 ASP A 98 -1.981 11.021 -3.586 1.00 75.32 O ATOM 0 H ASP A 98 -2.202 12.877 1.227 1.00 54.40 H new ATOM 0 HA ASP A 98 -2.660 10.605 -0.620 1.00 22.02 H new ATOM 0 HB2 ASP A 98 -2.918 12.705 -1.871 1.00 51.12 H new ATOM 0 HB3 ASP A 98 -1.341 13.236 -1.321 1.00 51.12 H new ATOM 1552 N THR A 99 -0.503 9.743 0.318 1.00 23.00 N ATOM 1553 CA THR A 99 0.696 9.149 0.871 1.00 73.13 C ATOM 1554 C THR A 99 1.313 8.195 -0.149 1.00 32.33 C ATOM 1555 O THR A 99 0.683 7.211 -0.554 1.00 72.35 O ATOM 1556 CB THR A 99 0.358 8.406 2.197 1.00 21.43 C ATOM 1557 OG1 THR A 99 -0.308 9.318 3.090 1.00 2.03 O ATOM 1558 CG2 THR A 99 1.618 7.862 2.872 1.00 23.04 C ATOM 0 H THR A 99 -1.193 9.053 0.022 1.00 23.00 H new ATOM 0 HA THR A 99 1.421 9.931 1.095 1.00 73.13 H new ATOM 0 HB THR A 99 -0.289 7.561 1.962 1.00 21.43 H new ATOM 0 HG1 THR A 99 -0.108 9.072 4.017 1.00 2.03 H new ATOM 0 HG21 THR A 99 1.344 7.350 3.794 1.00 23.04 H new ATOM 0 HG22 THR A 99 2.116 7.161 2.202 1.00 23.04 H new ATOM 0 HG23 THR A 99 2.293 8.687 3.102 1.00 23.04 H new ATOM 1566 N GLU A 100 2.539 8.503 -0.554 1.00 31.21 N ATOM 1567 CA GLU A 100 3.291 7.737 -1.531 1.00 24.21 C ATOM 1568 C GLU A 100 4.322 6.880 -0.792 1.00 55.14 C ATOM 1569 O GLU A 100 5.252 7.410 -0.165 1.00 74.41 O ATOM 1570 CB GLU A 100 3.955 8.694 -2.548 1.00 70.53 C ATOM 1571 CG GLU A 100 4.875 8.013 -3.572 1.00 21.00 C ATOM 1572 CD GLU A 100 5.490 8.996 -4.583 1.00 34.21 C ATOM 1573 OE1 GLU A 100 6.113 9.992 -4.155 1.00 51.23 O ATOM 1574 OE2 GLU A 100 5.344 8.785 -5.811 1.00 52.40 O ATOM 0 H GLU A 100 3.048 9.314 -0.201 1.00 31.21 H new ATOM 0 HA GLU A 100 2.632 7.075 -2.093 1.00 24.21 H new ATOM 0 HB2 GLU A 100 3.172 9.230 -3.085 1.00 70.53 H new ATOM 0 HB3 GLU A 100 4.533 9.438 -2.000 1.00 70.53 H new ATOM 0 HG2 GLU A 100 5.676 7.497 -3.044 1.00 21.00 H new ATOM 0 HG3 GLU A 100 4.308 7.254 -4.112 1.00 21.00 H new ATOM 1581 N PHE A 101 4.105 5.560 -0.805 1.00 72.21 N ATOM 1582 CA PHE A 101 5.052 4.582 -0.270 1.00 72.12 C ATOM 1583 C PHE A 101 5.883 4.018 -1.424 1.00 23.34 C ATOM 1584 O PHE A 101 5.341 3.652 -2.479 1.00 42.44 O ATOM 1585 CB PHE A 101 4.322 3.434 0.470 1.00 4.44 C ATOM 1586 CG PHE A 101 3.530 3.852 1.708 1.00 61.44 C ATOM 1587 CD1 PHE A 101 4.182 4.099 2.917 1.00 53.40 C ATOM 1588 CD2 PHE A 101 2.139 3.961 1.675 1.00 65.54 C ATOM 1589 CE1 PHE A 101 3.468 4.449 4.049 1.00 73.35 C ATOM 1590 CE2 PHE A 101 1.426 4.313 2.806 1.00 2.13 C ATOM 1591 CZ PHE A 101 2.092 4.552 3.996 1.00 30.01 C ATOM 0 H PHE A 101 3.260 5.140 -1.191 1.00 72.21 H new ATOM 0 HA PHE A 101 5.700 5.079 0.453 1.00 72.12 H new ATOM 0 HB2 PHE A 101 3.641 2.949 -0.229 1.00 4.44 H new ATOM 0 HB3 PHE A 101 5.060 2.688 0.766 1.00 4.44 H new ATOM 0 HD1 PHE A 101 5.258 4.016 2.969 1.00 53.40 H new ATOM 0 HD2 PHE A 101 1.612 3.768 0.752 1.00 65.54 H new ATOM 0 HE1 PHE A 101 3.988 4.642 4.976 1.00 73.35 H new ATOM 0 HE2 PHE A 101 0.351 4.401 2.761 1.00 2.13 H new ATOM 0 HZ PHE A 101 1.536 4.819 4.882 1.00 30.01 H new ATOM 1601 N GLN A 102 7.195 3.972 -1.219 1.00 22.45 N ATOM 1602 CA GLN A 102 8.153 3.436 -2.190 1.00 1.34 C ATOM 1603 C GLN A 102 9.209 2.614 -1.456 1.00 3.30 C ATOM 1604 O GLN A 102 9.571 2.931 -0.322 1.00 42.55 O ATOM 1605 CB GLN A 102 8.795 4.593 -2.994 1.00 4.12 C ATOM 1606 CG GLN A 102 9.499 5.674 -2.141 1.00 11.33 C ATOM 1607 CD GLN A 102 10.060 6.835 -2.961 1.00 13.44 C ATOM 1608 OE1 GLN A 102 10.430 6.676 -4.118 1.00 40.02 O ATOM 1609 NE2 GLN A 102 10.157 8.002 -2.357 1.00 23.24 N ATOM 0 H GLN A 102 7.633 4.310 -0.362 1.00 22.45 H new ATOM 0 HA GLN A 102 7.640 2.785 -2.898 1.00 1.34 H new ATOM 0 HB2 GLN A 102 9.521 4.172 -3.690 1.00 4.12 H new ATOM 0 HB3 GLN A 102 8.020 5.072 -3.593 1.00 4.12 H new ATOM 0 HG2 GLN A 102 8.791 6.066 -1.410 1.00 11.33 H new ATOM 0 HG3 GLN A 102 10.311 5.210 -1.581 1.00 11.33 H new ATOM 0 HE21 GLN A 102 9.841 8.105 -1.393 1.00 23.24 H new ATOM 0 HE22 GLN A 102 10.548 8.802 -2.854 1.00 23.24 H new ATOM 1618 N HIS A 103 9.690 1.551 -2.099 1.00 15.42 N ATOM 1619 CA HIS A 103 10.678 0.628 -1.514 1.00 75.45 C ATOM 1620 C HIS A 103 11.557 0.048 -2.645 1.00 50.32 C ATOM 1621 O HIS A 103 11.013 -0.323 -3.686 1.00 63.23 O ATOM 1622 CB HIS A 103 9.931 -0.499 -0.742 1.00 33.04 C ATOM 1623 CG HIS A 103 10.803 -1.345 0.129 1.00 71.42 C ATOM 1624 ND1 HIS A 103 11.216 -2.622 -0.195 1.00 63.23 N ATOM 1625 CD2 HIS A 103 11.351 -1.071 1.331 1.00 12.22 C ATOM 1626 CE1 HIS A 103 11.984 -3.083 0.780 1.00 32.14 C ATOM 1627 NE2 HIS A 103 12.079 -2.161 1.710 1.00 51.11 N ATOM 0 H HIS A 103 9.407 1.299 -3.046 1.00 15.42 H new ATOM 0 HA HIS A 103 11.324 1.153 -0.811 1.00 75.45 H new ATOM 0 HB2 HIS A 103 9.156 -0.045 -0.125 1.00 33.04 H new ATOM 0 HB3 HIS A 103 9.428 -1.143 -1.464 1.00 33.04 H new ATOM 0 HD2 HIS A 103 11.235 -0.155 1.891 1.00 12.22 H new ATOM 0 HE1 HIS A 103 12.454 -4.055 0.806 1.00 32.14 H new ATOM 0 HE2 HIS A 103 12.611 -2.246 2.576 1.00 51.11 H new ATOM 1636 N PRO A 104 12.917 -0.057 -2.475 1.00 5.24 N ATOM 1637 CA PRO A 104 13.826 -0.564 -3.544 1.00 62.23 C ATOM 1638 C PRO A 104 13.473 -2.001 -3.997 1.00 73.22 C ATOM 1639 O PRO A 104 13.567 -2.328 -5.185 1.00 40.05 O ATOM 1640 CB PRO A 104 15.231 -0.494 -2.889 1.00 42.03 C ATOM 1641 CG PRO A 104 14.972 -0.442 -1.416 1.00 73.41 C ATOM 1642 CD PRO A 104 13.682 0.319 -1.256 1.00 25.42 C ATOM 0 HA PRO A 104 13.752 0.024 -4.459 1.00 62.23 H new ATOM 0 HB2 PRO A 104 15.833 -1.364 -3.153 1.00 42.03 H new ATOM 0 HB3 PRO A 104 15.779 0.387 -3.224 1.00 42.03 H new ATOM 0 HG2 PRO A 104 14.889 -1.445 -0.997 1.00 73.41 H new ATOM 0 HG3 PRO A 104 15.788 0.056 -0.892 1.00 73.41 H new ATOM 0 HD2 PRO A 104 13.156 0.033 -0.345 1.00 25.42 H new ATOM 0 HD3 PRO A 104 13.852 1.394 -1.202 1.00 25.42 H new ATOM 1650 N CYS A 105 13.011 -2.827 -3.039 1.00 13.31 N ATOM 1651 CA CYS A 105 12.611 -4.229 -3.300 1.00 21.13 C ATOM 1652 C CYS A 105 11.112 -4.317 -3.682 1.00 22.55 C ATOM 1653 O CYS A 105 10.523 -5.395 -3.672 1.00 23.50 O ATOM 1654 CB CYS A 105 12.927 -5.097 -2.057 1.00 45.53 C ATOM 1655 SG CYS A 105 14.580 -4.837 -1.365 1.00 2.34 S ATOM 0 H CYS A 105 12.904 -2.545 -2.065 1.00 13.31 H new ATOM 0 HA CYS A 105 13.182 -4.610 -4.147 1.00 21.13 H new ATOM 0 HB2 CYS A 105 12.186 -4.888 -1.285 1.00 45.53 H new ATOM 0 HB3 CYS A 105 12.820 -6.148 -2.326 1.00 45.53 H new ATOM 0 HG CYS A 105 14.743 -5.607 -0.330 1.00 2.34 H new ATOM 1661 N PHE A 106 10.495 -3.171 -4.009 1.00 62.12 N ATOM 1662 CA PHE A 106 9.110 -3.099 -4.509 1.00 61.02 C ATOM 1663 C PHE A 106 9.140 -2.399 -5.875 1.00 31.12 C ATOM 1664 O PHE A 106 9.246 -1.161 -5.952 1.00 3.30 O ATOM 1665 CB PHE A 106 8.212 -2.330 -3.489 1.00 70.11 C ATOM 1666 CG PHE A 106 6.724 -2.246 -3.841 1.00 32.51 C ATOM 1667 CD1 PHE A 106 5.836 -3.238 -3.423 1.00 52.44 C ATOM 1668 CD2 PHE A 106 6.211 -1.182 -4.586 1.00 24.24 C ATOM 1669 CE1 PHE A 106 4.491 -3.170 -3.738 1.00 21.22 C ATOM 1670 CE2 PHE A 106 4.868 -1.115 -4.901 1.00 15.53 C ATOM 1671 CZ PHE A 106 4.005 -2.111 -4.477 1.00 74.13 C ATOM 0 H PHE A 106 10.946 -2.259 -3.934 1.00 62.12 H new ATOM 0 HA PHE A 106 8.685 -4.096 -4.623 1.00 61.02 H new ATOM 0 HB2 PHE A 106 8.309 -2.810 -2.515 1.00 70.11 H new ATOM 0 HB3 PHE A 106 8.599 -1.316 -3.385 1.00 70.11 H new ATOM 0 HD1 PHE A 106 6.205 -4.072 -2.844 1.00 52.44 H new ATOM 0 HD2 PHE A 106 6.875 -0.399 -4.921 1.00 24.24 H new ATOM 0 HE1 PHE A 106 3.820 -3.948 -3.405 1.00 21.22 H new ATOM 0 HE2 PHE A 106 4.490 -0.284 -5.479 1.00 15.53 H new ATOM 0 HZ PHE A 106 2.955 -2.059 -4.724 1.00 74.13 H new ATOM 1681 N LEU A 107 9.107 -3.204 -6.952 1.00 71.00 N ATOM 1682 CA LEU A 107 9.105 -2.728 -8.348 1.00 70.22 C ATOM 1683 C LEU A 107 7.985 -3.444 -9.133 1.00 54.43 C ATOM 1684 O LEU A 107 7.639 -4.584 -8.811 1.00 22.13 O ATOM 1685 CB LEU A 107 10.483 -3.017 -9.017 1.00 32.13 C ATOM 1686 CG LEU A 107 11.749 -2.366 -8.381 1.00 11.34 C ATOM 1687 CD1 LEU A 107 13.028 -2.828 -9.121 1.00 34.20 C ATOM 1688 CD2 LEU A 107 11.639 -0.823 -8.343 1.00 64.33 C ATOM 0 H LEU A 107 9.081 -4.221 -6.876 1.00 71.00 H new ATOM 0 HA LEU A 107 8.928 -1.652 -8.358 1.00 70.22 H new ATOM 0 HB2 LEU A 107 10.631 -4.097 -9.027 1.00 32.13 H new ATOM 0 HB3 LEU A 107 10.426 -2.693 -10.056 1.00 32.13 H new ATOM 0 HG LEU A 107 11.817 -2.704 -7.347 1.00 11.34 H new ATOM 0 HD11 LEU A 107 13.901 -2.363 -8.663 1.00 34.20 H new ATOM 0 HD12 LEU A 107 13.116 -3.912 -9.053 1.00 34.20 H new ATOM 0 HD13 LEU A 107 12.968 -2.534 -10.169 1.00 34.20 H new ATOM 0 HD21 LEU A 107 12.540 -0.405 -7.893 1.00 64.33 H new ATOM 0 HD22 LEU A 107 11.529 -0.441 -9.358 1.00 64.33 H new ATOM 0 HD23 LEU A 107 10.770 -0.535 -7.751 1.00 64.33 H new ATOM 1700 N ARG A 108 7.450 -2.778 -10.173 1.00 34.21 N ATOM 1701 CA ARG A 108 6.350 -3.292 -11.008 1.00 10.22 C ATOM 1702 C ARG A 108 6.767 -4.588 -11.767 1.00 20.41 C ATOM 1703 O ARG A 108 7.640 -4.565 -12.638 1.00 22.10 O ATOM 1704 CB ARG A 108 5.870 -2.176 -11.993 1.00 14.10 C ATOM 1705 CG ARG A 108 6.953 -1.666 -12.971 1.00 71.15 C ATOM 1706 CD ARG A 108 6.485 -0.514 -13.867 1.00 53.30 C ATOM 1707 NE ARG A 108 5.299 -0.839 -14.659 1.00 52.21 N ATOM 1708 CZ ARG A 108 4.653 0.012 -15.471 1.00 62.14 C ATOM 1709 NH1 ARG A 108 5.078 1.277 -15.619 1.00 62.14 N ATOM 1710 NH2 ARG A 108 3.590 -0.405 -16.125 1.00 40.34 N ATOM 0 H ARG A 108 7.775 -1.855 -10.460 1.00 34.21 H new ATOM 0 HA ARG A 108 5.517 -3.564 -10.360 1.00 10.22 H new ATOM 0 HB2 ARG A 108 5.029 -2.558 -12.571 1.00 14.10 H new ATOM 0 HB3 ARG A 108 5.499 -1.332 -11.411 1.00 14.10 H new ATOM 0 HG2 ARG A 108 7.821 -1.339 -12.399 1.00 71.15 H new ATOM 0 HG3 ARG A 108 7.280 -2.494 -13.600 1.00 71.15 H new ATOM 0 HD2 ARG A 108 6.271 0.356 -13.246 1.00 53.30 H new ATOM 0 HD3 ARG A 108 7.296 -0.234 -14.539 1.00 53.30 H new ATOM 0 HE ARG A 108 4.934 -1.789 -14.588 1.00 52.21 H new ATOM 0 HH11 ARG A 108 5.901 1.601 -15.111 1.00 62.14 H new ATOM 0 HH12 ARG A 108 4.578 1.914 -16.239 1.00 62.14 H new ATOM 0 HH21 ARG A 108 3.266 -1.365 -16.012 1.00 40.34 H new ATOM 0 HH22 ARG A 108 3.090 0.232 -16.745 1.00 40.34 H new ATOM 1724 N GLY A 109 6.150 -5.723 -11.395 1.00 42.44 N ATOM 1725 CA GLY A 109 6.466 -7.032 -11.990 1.00 64.22 C ATOM 1726 C GLY A 109 7.431 -7.866 -11.153 1.00 12.50 C ATOM 1727 O GLY A 109 7.647 -9.042 -11.449 1.00 14.14 O ATOM 0 H GLY A 109 5.424 -5.759 -10.679 1.00 42.44 H new ATOM 0 HA2 GLY A 109 5.541 -7.592 -12.128 1.00 64.22 H new ATOM 0 HA3 GLY A 109 6.896 -6.878 -12.980 1.00 64.22 H new ATOM 1731 N GLN A 110 8.008 -7.274 -10.089 1.00 34.14 N ATOM 1732 CA GLN A 110 8.996 -7.953 -9.229 1.00 44.44 C ATOM 1733 C GLN A 110 8.353 -8.414 -7.904 1.00 51.51 C ATOM 1734 O GLN A 110 8.598 -7.836 -6.834 1.00 53.01 O ATOM 1735 CB GLN A 110 10.267 -7.066 -8.971 1.00 42.33 C ATOM 1736 CG GLN A 110 11.294 -6.988 -10.149 1.00 5.13 C ATOM 1737 CD GLN A 110 11.109 -5.818 -11.142 1.00 14.52 C ATOM 1738 OE1 GLN A 110 12.074 -5.341 -11.735 1.00 22.34 O ATOM 1739 NE2 GLN A 110 9.900 -5.330 -11.316 1.00 64.22 N ATOM 0 H GLN A 110 7.803 -6.317 -9.803 1.00 34.14 H new ATOM 0 HA GLN A 110 9.335 -8.839 -9.766 1.00 44.44 H new ATOM 0 HB2 GLN A 110 9.938 -6.054 -8.733 1.00 42.33 H new ATOM 0 HB3 GLN A 110 10.782 -7.450 -8.090 1.00 42.33 H new ATOM 0 HG2 GLN A 110 12.296 -6.922 -9.725 1.00 5.13 H new ATOM 0 HG3 GLN A 110 11.245 -7.922 -10.708 1.00 5.13 H new ATOM 0 HE21 GLN A 110 9.109 -5.737 -10.817 1.00 64.22 H new ATOM 0 HE22 GLN A 110 9.753 -4.545 -11.950 1.00 64.22 H new ATOM 1748 N GLU A 111 7.505 -9.452 -7.999 1.00 2.32 N ATOM 1749 CA GLU A 111 6.955 -10.151 -6.817 1.00 53.12 C ATOM 1750 C GLU A 111 8.040 -10.979 -6.086 1.00 52.40 C ATOM 1751 O GLU A 111 7.940 -11.219 -4.878 1.00 51.44 O ATOM 1752 CB GLU A 111 5.780 -11.065 -7.229 1.00 40.14 C ATOM 1753 CG GLU A 111 6.139 -12.129 -8.290 1.00 65.43 C ATOM 1754 CD GLU A 111 5.030 -13.159 -8.515 1.00 54.04 C ATOM 1755 OE1 GLU A 111 3.994 -12.808 -9.125 1.00 61.12 O ATOM 1756 OE2 GLU A 111 5.186 -14.330 -8.090 1.00 73.54 O ATOM 0 H GLU A 111 7.181 -9.831 -8.889 1.00 2.32 H new ATOM 0 HA GLU A 111 6.592 -9.390 -6.126 1.00 53.12 H new ATOM 0 HB2 GLU A 111 5.400 -11.569 -6.341 1.00 40.14 H new ATOM 0 HB3 GLU A 111 4.971 -10.444 -7.614 1.00 40.14 H new ATOM 0 HG2 GLU A 111 6.359 -11.631 -9.234 1.00 65.43 H new ATOM 0 HG3 GLU A 111 7.048 -12.646 -7.983 1.00 65.43 H new ATOM 1763 N GLN A 112 9.076 -11.396 -6.836 1.00 60.13 N ATOM 1764 CA GLN A 112 10.223 -12.163 -6.299 1.00 21.41 C ATOM 1765 C GLN A 112 11.055 -11.339 -5.288 1.00 25.54 C ATOM 1766 O GLN A 112 11.913 -11.889 -4.594 1.00 41.34 O ATOM 1767 CB GLN A 112 11.159 -12.669 -7.438 1.00 72.02 C ATOM 1768 CG GLN A 112 11.907 -11.572 -8.250 1.00 21.45 C ATOM 1769 CD GLN A 112 11.164 -11.040 -9.491 1.00 34.41 C ATOM 1770 OE1 GLN A 112 9.935 -11.052 -9.566 1.00 12.11 O ATOM 1771 NE2 GLN A 112 11.911 -10.546 -10.466 1.00 65.45 N ATOM 0 H GLN A 112 9.145 -11.211 -7.837 1.00 60.13 H new ATOM 0 HA GLN A 112 9.794 -13.020 -5.780 1.00 21.41 H new ATOM 0 HB2 GLN A 112 11.901 -13.337 -7.001 1.00 72.02 H new ATOM 0 HB3 GLN A 112 10.564 -13.263 -8.132 1.00 72.02 H new ATOM 0 HG2 GLN A 112 12.116 -10.733 -7.586 1.00 21.45 H new ATOM 0 HG3 GLN A 112 12.869 -11.974 -8.569 1.00 21.45 H new ATOM 0 HE21 GLN A 112 12.927 -10.547 -10.380 1.00 65.45 H new ATOM 0 HE22 GLN A 112 11.470 -10.164 -11.303 1.00 65.45 H new ATOM 1780 N LEU A 113 10.846 -10.011 -5.271 1.00 54.22 N ATOM 1781 CA LEU A 113 11.503 -9.103 -4.311 1.00 41.14 C ATOM 1782 C LEU A 113 10.611 -8.832 -3.074 1.00 1.05 C ATOM 1783 O LEU A 113 11.122 -8.387 -2.041 1.00 44.12 O ATOM 1784 CB LEU A 113 11.899 -7.779 -5.017 1.00 14.24 C ATOM 1785 CG LEU A 113 12.958 -7.872 -6.162 1.00 40.41 C ATOM 1786 CD1 LEU A 113 13.283 -6.466 -6.737 1.00 1.02 C ATOM 1787 CD2 LEU A 113 14.237 -8.595 -5.680 1.00 42.22 C ATOM 0 H LEU A 113 10.219 -9.537 -5.920 1.00 54.22 H new ATOM 0 HA LEU A 113 12.408 -9.591 -3.948 1.00 41.14 H new ATOM 0 HB2 LEU A 113 10.994 -7.331 -5.429 1.00 14.24 H new ATOM 0 HB3 LEU A 113 12.278 -7.092 -4.260 1.00 14.24 H new ATOM 0 HG LEU A 113 12.529 -8.467 -6.969 1.00 40.41 H new ATOM 0 HD11 LEU A 113 14.023 -6.560 -7.532 1.00 1.02 H new ATOM 0 HD12 LEU A 113 12.374 -6.018 -7.138 1.00 1.02 H new ATOM 0 HD13 LEU A 113 13.681 -5.832 -5.945 1.00 1.02 H new ATOM 0 HD21 LEU A 113 14.956 -8.645 -6.497 1.00 42.22 H new ATOM 0 HD22 LEU A 113 14.673 -8.045 -4.846 1.00 42.22 H new ATOM 0 HD23 LEU A 113 13.984 -9.605 -5.357 1.00 42.22 H new ATOM 1799 N LEU A 114 9.286 -9.110 -3.180 1.00 51.53 N ATOM 1800 CA LEU A 114 8.313 -8.885 -2.074 1.00 43.45 C ATOM 1801 C LEU A 114 8.576 -9.850 -0.903 1.00 63.31 C ATOM 1802 O LEU A 114 8.442 -9.490 0.266 1.00 63.53 O ATOM 1803 CB LEU A 114 6.850 -9.061 -2.544 1.00 31.35 C ATOM 1804 CG LEU A 114 6.360 -8.174 -3.715 1.00 61.24 C ATOM 1805 CD1 LEU A 114 4.878 -8.491 -4.031 1.00 63.11 C ATOM 1806 CD2 LEU A 114 6.587 -6.679 -3.435 1.00 54.03 C ATOM 0 H LEU A 114 8.863 -9.493 -4.025 1.00 51.53 H new ATOM 0 HA LEU A 114 8.454 -7.856 -1.744 1.00 43.45 H new ATOM 0 HB2 LEU A 114 6.713 -10.103 -2.832 1.00 31.35 H new ATOM 0 HB3 LEU A 114 6.199 -8.879 -1.689 1.00 31.35 H new ATOM 0 HG LEU A 114 6.954 -8.408 -4.599 1.00 61.24 H new ATOM 0 HD11 LEU A 114 4.540 -7.864 -4.856 1.00 63.11 H new ATOM 0 HD12 LEU A 114 4.782 -9.540 -4.310 1.00 63.11 H new ATOM 0 HD13 LEU A 114 4.268 -8.293 -3.150 1.00 63.11 H new ATOM 0 HD21 LEU A 114 6.230 -6.092 -4.281 1.00 54.03 H new ATOM 0 HD22 LEU A 114 6.042 -6.390 -2.537 1.00 54.03 H new ATOM 0 HD23 LEU A 114 7.651 -6.494 -3.289 1.00 54.03 H new ATOM 1818 N GLU A 115 8.945 -11.084 -1.254 1.00 22.04 N ATOM 1819 CA GLU A 115 9.359 -12.112 -0.279 1.00 22.24 C ATOM 1820 C GLU A 115 10.653 -11.724 0.474 1.00 12.11 C ATOM 1821 O GLU A 115 10.985 -12.334 1.492 1.00 51.12 O ATOM 1822 CB GLU A 115 9.571 -13.466 -0.997 1.00 71.34 C ATOM 1823 CG GLU A 115 10.502 -13.410 -2.219 1.00 21.20 C ATOM 1824 CD GLU A 115 11.195 -14.746 -2.523 1.00 44.32 C ATOM 1825 OE1 GLU A 115 10.514 -15.700 -2.947 1.00 43.15 O ATOM 1826 OE2 GLU A 115 12.424 -14.857 -2.308 1.00 22.43 O ATOM 0 H GLU A 115 8.967 -11.405 -2.222 1.00 22.04 H new ATOM 0 HA GLU A 115 8.559 -12.195 0.457 1.00 22.24 H new ATOM 0 HB2 GLU A 115 9.977 -14.181 -0.281 1.00 71.34 H new ATOM 0 HB3 GLU A 115 8.601 -13.849 -1.314 1.00 71.34 H new ATOM 0 HG2 GLU A 115 9.925 -13.102 -3.091 1.00 21.20 H new ATOM 0 HG3 GLU A 115 11.261 -12.646 -2.053 1.00 21.20 H new ATOM 1833 N ASN A 116 11.366 -10.713 -0.045 1.00 3.42 N ATOM 1834 CA ASN A 116 12.615 -10.200 0.556 1.00 21.12 C ATOM 1835 C ASN A 116 12.348 -8.900 1.340 1.00 53.44 C ATOM 1836 O ASN A 116 13.261 -8.353 1.970 1.00 52.24 O ATOM 1837 CB ASN A 116 13.688 -9.983 -0.546 1.00 41.12 C ATOM 1838 CG ASN A 116 14.157 -11.294 -1.180 1.00 73.51 C ATOM 1839 OD1 ASN A 116 15.115 -11.914 -0.720 1.00 55.53 O ATOM 1840 ND2 ASN A 116 13.482 -11.726 -2.235 1.00 10.43 N ATOM 0 H ASN A 116 11.094 -10.223 -0.898 1.00 3.42 H new ATOM 0 HA ASN A 116 12.995 -10.939 1.262 1.00 21.12 H new ATOM 0 HB2 ASN A 116 13.280 -9.335 -1.322 1.00 41.12 H new ATOM 0 HB3 ASN A 116 14.545 -9.465 -0.116 1.00 41.12 H new ATOM 0 HD21 ASN A 116 13.752 -12.597 -2.691 1.00 10.43 H new ATOM 0 HD22 ASN A 116 12.692 -11.187 -2.591 1.00 10.43 H new ATOM 1847 N ILE A 117 11.085 -8.427 1.313 1.00 24.23 N ATOM 1848 CA ILE A 117 10.622 -7.277 2.114 1.00 61.44 C ATOM 1849 C ILE A 117 10.050 -7.844 3.427 1.00 62.41 C ATOM 1850 O ILE A 117 9.034 -8.555 3.407 1.00 63.22 O ATOM 1851 CB ILE A 117 9.510 -6.421 1.383 1.00 5.14 C ATOM 1852 CG1 ILE A 117 9.933 -6.028 -0.061 1.00 15.32 C ATOM 1853 CG2 ILE A 117 9.175 -5.156 2.196 1.00 74.30 C ATOM 1854 CD1 ILE A 117 8.897 -5.220 -0.829 1.00 64.05 C ATOM 0 H ILE A 117 10.354 -8.835 0.731 1.00 24.23 H new ATOM 0 HA ILE A 117 11.464 -6.606 2.283 1.00 61.44 H new ATOM 0 HB ILE A 117 8.620 -7.047 1.311 1.00 5.14 H new ATOM 0 HG12 ILE A 117 10.858 -5.453 -0.010 1.00 15.32 H new ATOM 0 HG13 ILE A 117 10.153 -6.937 -0.621 1.00 15.32 H new ATOM 0 HG21 ILE A 117 8.408 -4.582 1.676 1.00 74.30 H new ATOM 0 HG22 ILE A 117 8.807 -5.443 3.181 1.00 74.30 H new ATOM 0 HG23 ILE A 117 10.072 -4.547 2.307 1.00 74.30 H new ATOM 0 HD11 ILE A 117 9.278 -4.992 -1.824 1.00 64.05 H new ATOM 0 HD12 ILE A 117 7.977 -5.798 -0.917 1.00 64.05 H new ATOM 0 HD13 ILE A 117 8.693 -4.291 -0.297 1.00 64.05 H new ATOM 1866 N LYS A 118 10.712 -7.556 4.565 1.00 51.10 N ATOM 1867 CA LYS A 118 10.422 -8.217 5.856 1.00 60.30 C ATOM 1868 C LYS A 118 9.891 -7.215 6.886 1.00 32.31 C ATOM 1869 O LYS A 118 10.310 -6.065 6.905 1.00 62.20 O ATOM 1870 CB LYS A 118 11.715 -8.906 6.404 1.00 5.42 C ATOM 1871 CG LYS A 118 12.431 -9.901 5.453 1.00 13.41 C ATOM 1872 CD LYS A 118 11.766 -11.301 5.313 1.00 43.11 C ATOM 1873 CE LYS A 118 10.466 -11.306 4.504 1.00 33.52 C ATOM 1874 NZ LYS A 118 9.962 -12.692 4.253 1.00 33.20 N ATOM 0 H LYS A 118 11.459 -6.863 4.617 1.00 51.10 H new ATOM 0 HA LYS A 118 9.652 -8.969 5.685 1.00 60.30 H new ATOM 0 HB2 LYS A 118 12.426 -8.126 6.678 1.00 5.42 H new ATOM 0 HB3 LYS A 118 11.455 -9.437 7.320 1.00 5.42 H new ATOM 0 HG2 LYS A 118 12.493 -9.448 4.463 1.00 13.41 H new ATOM 0 HG3 LYS A 118 13.453 -10.039 5.805 1.00 13.41 H new ATOM 0 HD2 LYS A 118 12.475 -11.981 4.842 1.00 43.11 H new ATOM 0 HD3 LYS A 118 11.561 -11.694 6.309 1.00 43.11 H new ATOM 0 HE2 LYS A 118 9.706 -10.736 5.038 1.00 33.52 H new ATOM 0 HE3 LYS A 118 10.631 -10.803 3.551 1.00 33.52 H new ATOM 0 HZ1 LYS A 118 8.936 -12.723 4.418 1.00 33.20 H new ATOM 0 HZ2 LYS A 118 10.163 -12.961 3.269 1.00 33.20 H new ATOM 0 HZ3 LYS A 118 10.437 -13.356 4.897 1.00 33.20 H new ATOM 1888 N ARG A 119 8.968 -7.683 7.737 1.00 51.34 N ATOM 1889 CA ARG A 119 8.510 -6.963 8.944 1.00 1.22 C ATOM 1890 C ARG A 119 9.019 -7.729 10.187 1.00 31.15 C ATOM 1891 O ARG A 119 8.617 -7.462 11.320 1.00 23.11 O ATOM 1892 CB ARG A 119 6.966 -6.816 8.947 1.00 21.23 C ATOM 1893 CG ARG A 119 6.179 -8.142 8.886 1.00 71.33 C ATOM 1894 CD ARG A 119 4.652 -7.927 8.924 1.00 21.44 C ATOM 1895 NE ARG A 119 3.902 -9.196 8.878 1.00 12.45 N ATOM 1896 CZ ARG A 119 3.206 -9.719 9.899 1.00 64.21 C ATOM 1897 NH1 ARG A 119 3.150 -9.096 11.076 1.00 54.13 N ATOM 1898 NH2 ARG A 119 2.562 -10.857 9.734 1.00 4.45 N ATOM 0 H ARG A 119 8.509 -8.585 7.609 1.00 51.34 H new ATOM 0 HA ARG A 119 8.916 -5.952 8.956 1.00 1.22 H new ATOM 0 HB2 ARG A 119 6.670 -6.278 9.847 1.00 21.23 H new ATOM 0 HB3 ARG A 119 6.674 -6.200 8.097 1.00 21.23 H new ATOM 0 HG2 ARG A 119 6.444 -8.676 7.974 1.00 71.33 H new ATOM 0 HG3 ARG A 119 6.474 -8.774 9.723 1.00 71.33 H new ATOM 0 HD2 ARG A 119 4.387 -7.385 9.832 1.00 21.44 H new ATOM 0 HD3 ARG A 119 4.355 -7.302 8.081 1.00 21.44 H new ATOM 0 HE ARG A 119 3.913 -9.717 8.001 1.00 12.45 H new ATOM 0 HH11 ARG A 119 3.640 -8.211 11.208 1.00 54.13 H new ATOM 0 HH12 ARG A 119 2.617 -9.504 11.844 1.00 54.13 H new ATOM 0 HH21 ARG A 119 2.594 -11.335 8.834 1.00 4.45 H new ATOM 0 HH22 ARG A 119 2.031 -11.259 10.507 1.00 4.45 H new ATOM 1912 N LYS A 120 9.931 -8.686 9.921 1.00 72.40 N ATOM 1913 CA LYS A 120 10.618 -9.515 10.929 1.00 53.23 C ATOM 1914 C LYS A 120 12.083 -9.069 11.029 1.00 12.32 C ATOM 1915 O LYS A 120 12.627 -8.512 10.070 1.00 51.42 O ATOM 1916 CB LYS A 120 10.573 -11.013 10.517 1.00 70.11 C ATOM 1917 CG LYS A 120 9.154 -11.574 10.331 1.00 72.30 C ATOM 1918 CD LYS A 120 8.368 -11.775 11.651 1.00 23.44 C ATOM 1919 CE LYS A 120 8.621 -13.135 12.332 1.00 34.22 C ATOM 1920 NZ LYS A 120 10.049 -13.352 12.685 1.00 32.13 N ATOM 0 H LYS A 120 10.218 -8.909 8.968 1.00 72.40 H new ATOM 0 HA LYS A 120 10.118 -9.394 11.890 1.00 53.23 H new ATOM 0 HB2 LYS A 120 11.126 -11.139 9.586 1.00 70.11 H new ATOM 0 HB3 LYS A 120 11.088 -11.602 11.276 1.00 70.11 H new ATOM 0 HG2 LYS A 120 8.591 -10.899 9.686 1.00 72.30 H new ATOM 0 HG3 LYS A 120 9.219 -12.530 9.812 1.00 72.30 H new ATOM 0 HD2 LYS A 120 8.634 -10.978 12.345 1.00 23.44 H new ATOM 0 HD3 LYS A 120 7.302 -11.676 11.446 1.00 23.44 H new ATOM 0 HE2 LYS A 120 8.015 -13.201 13.236 1.00 34.22 H new ATOM 0 HE3 LYS A 120 8.291 -13.934 11.668 1.00 34.22 H new ATOM 0 HZ1 LYS A 120 10.123 -14.134 13.366 1.00 32.13 H new ATOM 0 HZ2 LYS A 120 10.587 -13.588 11.827 1.00 32.13 H new ATOM 0 HZ3 LYS A 120 10.437 -12.485 13.109 1.00 32.13 H new ATOM 1934 N VAL A 121 12.691 -9.329 12.203 1.00 62.11 N ATOM 1935 CA VAL A 121 14.142 -9.125 12.516 1.00 31.25 C ATOM 1936 C VAL A 121 14.662 -7.701 12.175 1.00 42.24 C ATOM 1937 O VAL A 121 15.872 -7.481 12.031 1.00 24.11 O ATOM 1938 CB VAL A 121 15.071 -10.264 11.901 1.00 62.41 C ATOM 1939 CG1 VAL A 121 14.527 -11.660 12.270 1.00 74.33 C ATOM 1940 CG2 VAL A 121 15.290 -10.131 10.375 1.00 74.14 C ATOM 0 H VAL A 121 12.175 -9.702 12.999 1.00 62.11 H new ATOM 0 HA VAL A 121 14.210 -9.212 13.600 1.00 31.25 H new ATOM 0 HB VAL A 121 16.056 -10.135 12.349 1.00 62.41 H new ATOM 0 HG11 VAL A 121 15.173 -12.427 11.842 1.00 74.33 H new ATOM 0 HG12 VAL A 121 14.506 -11.767 13.355 1.00 74.33 H new ATOM 0 HG13 VAL A 121 13.518 -11.774 11.874 1.00 74.33 H new ATOM 0 HG21 VAL A 121 15.932 -10.941 10.028 1.00 74.14 H new ATOM 0 HG22 VAL A 121 14.329 -10.185 9.863 1.00 74.14 H new ATOM 0 HG23 VAL A 121 15.764 -9.174 10.157 1.00 74.14 H new ATOM 1950 N THR A 122 13.743 -6.710 12.146 1.00 31.03 N ATOM 1951 CA THR A 122 14.056 -5.346 11.658 1.00 50.34 C ATOM 1952 C THR A 122 13.697 -4.250 12.691 1.00 75.23 C ATOM 1953 O THR A 122 14.402 -3.236 12.778 1.00 14.42 O ATOM 1954 CB THR A 122 13.325 -5.072 10.302 1.00 13.22 C ATOM 1955 OG1 THR A 122 13.594 -3.741 9.838 1.00 73.22 O ATOM 1956 CG2 THR A 122 11.812 -5.274 10.415 1.00 41.43 C ATOM 0 H THR A 122 12.778 -6.828 12.455 1.00 31.03 H new ATOM 0 HA THR A 122 15.134 -5.302 11.504 1.00 50.34 H new ATOM 0 HB THR A 122 13.714 -5.794 9.584 1.00 13.22 H new ATOM 0 HG1 THR A 122 13.129 -3.591 8.989 1.00 73.22 H new ATOM 0 HG21 THR A 122 11.345 -5.073 9.451 1.00 41.43 H new ATOM 0 HG22 THR A 122 11.603 -6.302 10.712 1.00 41.43 H new ATOM 0 HG23 THR A 122 11.409 -4.591 11.163 1.00 41.43 H new ATOM 1964 N SER A 123 12.626 -4.458 13.479 1.00 73.12 N ATOM 1965 CA SER A 123 12.099 -3.435 14.407 1.00 42.04 C ATOM 1966 C SER A 123 11.156 -4.066 15.449 1.00 61.11 C ATOM 1967 O SER A 123 11.097 -5.296 15.575 1.00 44.21 O ATOM 1968 CB SER A 123 11.372 -2.325 13.605 1.00 55.55 C ATOM 1969 OG SER A 123 10.373 -2.874 12.762 1.00 73.03 O ATOM 0 H SER A 123 12.103 -5.334 13.492 1.00 73.12 H new ATOM 0 HA SER A 123 12.935 -2.990 14.947 1.00 42.04 H new ATOM 0 HB2 SER A 123 10.919 -1.612 14.294 1.00 55.55 H new ATOM 0 HB3 SER A 123 12.095 -1.773 13.005 1.00 55.55 H new ATOM 0 HG SER A 123 10.572 -2.649 11.829 1.00 73.03 H new ATOM 1975 N VAL A 124 10.441 -3.216 16.220 1.00 71.11 N ATOM 1976 CA VAL A 124 9.476 -3.671 17.234 1.00 24.04 C ATOM 1977 C VAL A 124 8.143 -4.077 16.568 1.00 62.21 C ATOM 1978 O VAL A 124 7.627 -3.361 15.710 1.00 63.53 O ATOM 1979 CB VAL A 124 9.223 -2.557 18.327 1.00 61.35 C ATOM 1980 CG1 VAL A 124 8.182 -2.997 19.386 1.00 11.01 C ATOM 1981 CG2 VAL A 124 10.551 -2.145 18.999 1.00 21.34 C ATOM 0 H VAL A 124 10.519 -2.201 16.154 1.00 71.11 H new ATOM 0 HA VAL A 124 9.902 -4.542 17.731 1.00 24.04 H new ATOM 0 HB VAL A 124 8.806 -1.691 17.814 1.00 61.35 H new ATOM 0 HG11 VAL A 124 8.043 -2.198 20.114 1.00 11.01 H new ATOM 0 HG12 VAL A 124 7.232 -3.210 18.896 1.00 11.01 H new ATOM 0 HG13 VAL A 124 8.537 -3.893 19.894 1.00 11.01 H new ATOM 0 HG21 VAL A 124 10.357 -1.378 19.748 1.00 21.34 H new ATOM 0 HG22 VAL A 124 11.001 -3.014 19.478 1.00 21.34 H new ATOM 0 HG23 VAL A 124 11.233 -1.752 18.245 1.00 21.34 H new ATOM 1991 N SER A 125 7.625 -5.246 16.964 1.00 60.44 N ATOM 1992 CA SER A 125 6.325 -5.765 16.532 1.00 74.12 C ATOM 1993 C SER A 125 5.547 -6.236 17.786 1.00 24.02 C ATOM 1994 O SER A 125 4.586 -5.552 18.197 1.00 60.51 O ATOM 1995 CB SER A 125 6.540 -6.922 15.533 1.00 73.15 C ATOM 1996 OG SER A 125 7.352 -6.512 14.438 1.00 2.33 O ATOM 1997 OXT SER A 125 5.939 -7.265 18.391 1.00 38.01 O ATOM 0 H SER A 125 8.110 -5.870 17.608 1.00 60.44 H new ATOM 0 HA SER A 125 5.745 -4.992 16.027 1.00 74.12 H new ATOM 0 HB2 SER A 125 7.010 -7.763 16.042 1.00 73.15 H new ATOM 0 HB3 SER A 125 5.576 -7.271 15.164 1.00 73.15 H new ATOM 0 HG SER A 125 6.956 -5.721 14.015 1.00 2.33 H new TER 2003 SER A 125